4WFA

The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with linezolid


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.39 ?
  • R-Value Free: 0.243 
  • R-Value Work: 0.202 
  • R-Value Observed: 0.204 

Starting Model: experimental
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This is version 1.4 of the entry. See complete history


Literature

Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.

Eyal, Z.Matzov, D.Krupkin, M.Wekselman, I.Paukner, S.Zimmerman, E.Rozenberg, H.Bashan, A.Yonath, A.

(2015) Proc Natl Acad Sci U S A 112: E5805-E5814

  • DOI: https://doi.org/10.1073/pnas.1517952112
  • Primary Citation of Related Structures:  
    4WCE, 4WF9, 4WFA, 4WFB

  • PubMed Abstract: 

    The emergence of bacterial multidrug resistance to antibiotics threatens to cause regression to the preantibiotic era. Here we present the crystal structure of the large ribosomal subunit from Staphylococcus aureus, a versatile Gram-positive aggressive pathogen, and its complexes with the known antibiotics linezolid and telithromycin, as well as with a new, highly potent pleuromutilin derivative, BC-3205. These crystal structures shed light on specific structural motifs of the S. aureus ribosome and the binding modes of the aforementioned antibiotics. Moreover, by analyzing the ribosome structure and comparing it with those of nonpathogenic bacterial models, we identified some unique internal and peripheral structural motifs that may be potential candidates for improving known antibiotics and for use in the design of selective antibiotic drugs against S. aureus.


  • Organizational Affiliation

    Department of Structural Biology, Weizmann Institute of Science, Rehovot 7610001, Israel.


Macromolecules

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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L2C [auth A]277Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
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Entity ID: 4
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L3D [auth B]220Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 5
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L4E [auth C]207Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 6
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L5F [auth D]179Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 7
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L6G [auth E]178Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
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Entity ID: 8
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L13H [auth G]145Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
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Entity ID: 9
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L14I [auth H]122Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
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Entity ID: 10
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L15J [auth I]146Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 11
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L16K [auth J]144Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 12
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L17L [auth K]122Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
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Entity ID: 13
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L18M [auth L]119Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 14
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L19N [auth M]116Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 15
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L20O [auth N]118Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 16
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L21P [auth O]102Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
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Entity ID: 17
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L22Q [auth P]117Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
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Entity ID: 18
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L23R [auth Q]91Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
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Entity ID: 19
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L24S [auth R]105Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 20
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L25T [auth S]217Staphylococcus aureus subsp. aureus USA300Mutation(s): 0 
UniProt
Find proteins for Q2FJE0 (Staphylococcus aureus (strain USA300))
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Entity ID: 21
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L27U [auth T]94Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 22
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L28V [auth U]62Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 23
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L29W [auth V]69Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 24
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L30X [auth W]59Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 25
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L32Y [auth Z]58Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 26
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L34Z [auth 2]45Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 27
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L35AA [auth 3]66Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 28
MoleculeChains Sequence LengthOrganismDetailsImage
50S ribosomal protein L36BA [auth 4]37Staphylococcus aureus subsp. aureus NCTC 8325Mutation(s): 0 
UniProt
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Entity ID: 1
MoleculeChains LengthOrganismImage
23S rRNAA [auth X]2,923Staphylococcus aureus subsp. aureus NCTC 8325
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Entity ID: 2
MoleculeChains LengthOrganismImage
5S rRNAB [auth Y]114Staphylococcus aureus subsp. aureus NCTC 8325
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Small Molecules
Ligands 8 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
ZLD
Query on ZLD

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CA [auth X]N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
C16 H20 F N3 O4
TYZROVQLWOKYKF-ZDUSSCGKSA-N
EPE
Query on EPE

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IQ [auth X],
JQ [auth X],
KQ [auth X],
LQ [auth X]
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
C8 H18 N2 O4 S
JKMHFZQWWAIEOD-UHFFFAOYSA-N
SPD
Query on SPD

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MQ [auth X]
NQ [auth X]
OQ [auth X]
PQ [auth X]
QQ [auth X]
MQ [auth X],
NQ [auth X],
OQ [auth X],
PQ [auth X],
QQ [auth X],
RQ [auth X],
SQ [auth X],
TQ [auth X],
UR [auth J]
SPERMIDINE
C7 H19 N3
ATHGHQPFGPMSJY-UHFFFAOYSA-N
MPD
Query on MPD

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DA [auth X]
EA [auth X]
FA [auth X]
GA [auth X]
HA [auth X]
DA [auth X],
EA [auth X],
FA [auth X],
GA [auth X],
HA [auth X],
IA [auth X],
JA [auth X],
KA [auth X],
LA [auth X]
(4S)-2-METHYL-2,4-PENTANEDIOL
C6 H14 O2
SVTBMSDMJJWYQN-YFKPBYRVSA-N
MN
Query on MN

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AD [auth X]
AE [auth X]
AF [auth X]
AG [auth X]
AH [auth X]
AD [auth X],
AE [auth X],
AF [auth X],
AG [auth X],
AH [auth X],
AJ [auth X],
AK [auth X],
BD [auth X],
BE [auth X],
BF [auth X],
BG [auth X],
BH [auth X],
BJ [auth X],
BK [auth X],
BQ [auth X],
BR [auth X],
BS [auth Z],
CD [auth X],
CE [auth X],
CF [auth X],
CG [auth X],
CH [auth X],
CJ [auth X],
CK [auth X],
CQ [auth X],
CR [auth X],
DD [auth X],
DE [auth X],
DF [auth X],
DG [auth X],
DH [auth X],
DJ [auth X],
DK [auth X],
ED [auth X],
EE [auth X],
EF [auth X],
EG [auth X],
EH [auth X],
EJ [auth X],
EK [auth X],
FD [auth X],
FE [auth X],
FF [auth X],
FG [auth X],
FH [auth X],
FJ [auth X],
FK [auth X],
FR [auth Y],
GD [auth X],
GE [auth X],
GF [auth X],
GG [auth X],
GH [auth X],
GJ [auth X],
GK [auth X],
GR [auth Y],
HD [auth X],
HE [auth X],
HF [auth X],
HG [auth X],
HH [auth X],
HI [auth X],
HJ [auth X],
HK [auth X],
HQ [auth X],
ID [auth X],
IE [auth X],
IF [auth X],
IG [auth X],
IH [auth X],
II [auth X],
IK [auth X],
JD [auth X],
JE [auth X],
JF [auth X],
JG [auth X],
JH [auth X],
JI [auth X],
JK [auth X],
KD [auth X],
KE [auth X],
KF [auth X],
KG [auth X],
KH [auth X],
KI [auth X],
KK [auth X],
KO [auth X],
LD [auth X],
LE [auth X],
LF [auth X],
LG [auth X],
LH [auth X],
LI [auth X],
LK [auth X],
LO [auth X],
MD [auth X],
ME [auth X],
MF [auth X],
MG [auth X],
MH [auth X],
MI [auth X],
MK [auth X],
NC [auth X],
ND [auth X],
NE [auth X],
NF [auth X],
NG [auth X],
NH [auth X],
NI [auth X],
OC [auth X],
OD [auth X],
OE [auth X],
OF [auth X],
OG [auth X],
OH [auth X],
OI [auth X],
PC [auth X],
PD [auth X],
PE [auth X],
PF [auth X],
PG [auth X],
PH [auth X],
PI [auth X],
QC [auth X],
QD [auth X],
QE [auth X],
QF [auth X],
QG [auth X],
QH [auth X],
QI [auth X],
RC [auth X],
RD [auth X],
RE [auth X],
RF [auth X],
RG [auth X],
RH [auth X],
RI [auth X],
SC [auth X],
SD [auth X],
SE [auth X],
SF [auth X],
SG [auth X],
SH [auth X],
SI [auth X],
TC [auth X],
TD [auth X],
TE [auth X],
TF [auth X],
TG [auth X],
TH [auth X],
TI [auth X],
UC [auth X],
UD [auth X],
UE [auth X],
UF [auth X],
UG [auth X],
UH [auth X],
UI [auth X],
VC [auth X],
VD [auth X],
VE [auth X],
VF [auth X],
VG [auth X],
VH [auth X],
VI [auth X],
WC [auth X],
WD [auth X],
WE [auth X],
WF [auth X],
WG [auth X],
WH [auth X],
WI [auth X],
WR [auth M],
XC [auth X],
XD [auth X],
XE [auth X],
XF [auth X],
XG [auth X],
XH [auth X],
XI [auth X],
YC [auth X],
YD [auth X],
YE [auth X],
YF [auth X],
YG [auth X],
YH [auth X],
YI [auth X],
YQ [auth X],
ZC [auth X],
ZD [auth X],
ZE [auth X],
ZF [auth X],
ZG [auth X],
ZI [auth X],
ZJ [auth X]
MANGANESE (II) ION
Mn
WAEMQWOKJMHJLA-UHFFFAOYSA-N
EOH
Query on EOH

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MR [auth Y],
UQ [auth X],
VQ [auth X],
WQ [auth X],
XQ [auth X]
ETHANOL
C2 H6 O
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
MG
Query on MG

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AB [auth X]
AC [auth X]
AI [auth X]
AL [auth X]
AM [auth X]
AB [auth X],
AC [auth X],
AI [auth X],
AL [auth X],
AM [auth X],
AN [auth X],
AO [auth X],
AP [auth X],
AQ [auth X],
AR [auth X],
AS [auth W],
BB [auth X],
BC [auth X],
BI [auth X],
BL [auth X],
BM [auth X],
BN [auth X],
BO [auth X],
BP [auth X],
CB [auth X],
CC [auth X],
CI [auth X],
CL [auth X],
CM [auth X],
CN [auth X],
CO [auth X],
CP [auth X],
CS [auth Z],
DB [auth X],
DC [auth X],
DI [auth X],
DL [auth X],
DM [auth X],
DN [auth X],
DO [auth X],
DP [auth X],
DQ [auth X],
DR [auth X],
DS [auth Z],
EB [auth X],
EC [auth X],
EI [auth X],
EL [auth X],
EM [auth X],
EN [auth X],
EP [auth X],
EQ [auth X],
ER [auth Y],
FB [auth X],
FC [auth X],
FI [auth X],
FL [auth X],
FM [auth X],
FN [auth X],
FO [auth X],
FP [auth X],
FQ [auth X],
GB [auth X],
GC [auth X],
GI [auth X],
GL [auth X],
GM [auth X],
GN [auth X],
GO [auth X],
GP [auth X],
GQ [auth X],
HB [auth X],
HC [auth X],
HL [auth X],
HM [auth X],
HN [auth X],
HO [auth X],
HP [auth X],
HR [auth Y],
IB [auth X],
IC [auth X],
IJ [auth X],
IL [auth X],
IM [auth X],
IN [auth X],
IO [auth X],
IP [auth X],
IR [auth Y],
JB [auth X],
JC [auth X],
JJ [auth X],
JL [auth X],
JM [auth X],
JN [auth X],
JO [auth X],
JP [auth X],
JR [auth Y],
KB [auth X],
KC [auth X],
KJ [auth X],
KL [auth X],
KM [auth X],
KN [auth X],
KP [auth X],
KR [auth Y],
LB [auth X],
LC [auth X],
LJ [auth X],
LL [auth X],
LM [auth X],
LN [auth X],
LP [auth X],
LR [auth Y],
MA [auth X],
MB [auth X],
MC [auth X],
MJ [auth X],
ML [auth X],
MM [auth X],
MN [auth X],
MO [auth X],
MP [auth X],
NA [auth X],
NB [auth X],
NJ [auth X],
NK [auth X],
NL [auth X],
NM [auth X],
NN [auth X],
NO [auth X],
NP [auth X],
NR [auth A],
OA [auth X],
OB [auth X],
OJ [auth X],
OK [auth X],
OL [auth X],
OM [auth X],
ON [auth X],
OO [auth X],
OP [auth X],
OR [auth A],
PA [auth X],
PB [auth X],
PJ [auth X],
PK [auth X],
PL [auth X],
PM [auth X],
PN [auth X],
PO [auth X],
PP [auth X],
PR [auth B],
QA [auth X],
QB [auth X],
QJ [auth X],
QK [auth X],
QL [auth X],
QM [auth X],
QN [auth X],
QO [auth X],
QP [auth X],
QR [auth C],
RA [auth X],
RB [auth X],
RJ [auth X],
RK [auth X],
RL [auth X],
RM [auth X],
RN [auth X],
RO [auth X],
RP [auth X],
RR [auth G],
SA [auth X],
SB [auth X],
SJ [auth X],
SK [auth X],
SL [auth X],
SM [auth X],
SN [auth X],
SO [auth X],
SP [auth X],
SR [auth G],
TA [auth X],
TB [auth X],
TJ [auth X],
TK [auth X],
TL [auth X],
TM [auth X],
TN [auth X],
TO [auth X],
TP [auth X],
TR [auth I],
UA [auth X],
UB [auth X],
UJ [auth X],
UK [auth X],
UL [auth X],
UM [auth X],
UN [auth X],
UO [auth X],
UP [auth X],
VA [auth X],
VB [auth X],
VJ [auth X],
VK [auth X],
VL [auth X],
VM [auth X],
VN [auth X],
VO [auth X],
VP [auth X],
VR [auth K],
WA [auth X],
WB [auth X],
WJ [auth X],
WK [auth X],
WL [auth X],
WM [auth X],
WN [auth X],
WO [auth X],
WP [auth X],
XA [auth X],
XB [auth X],
XJ [auth X],
XK [auth X],
XL [auth X],
XM [auth X],
XN [auth X],
XO [auth X],
XP [auth X],
XR [auth N],
YA [auth X],
YB [auth X],
YJ [auth X],
YK [auth X],
YL [auth X],
YM [auth X],
YN [auth X],
YO [auth X],
YP [auth X],
YR [auth O],
ZA [auth X],
ZB [auth X],
ZH [auth X],
ZK [auth X],
ZL [auth X],
ZM [auth X],
ZN [auth X],
ZO [auth X],
ZP [auth X],
ZQ [auth X],
ZR [auth O]
MAGNESIUM ION
Mg
JLVVSXFLKOJNIY-UHFFFAOYSA-N
NA
Query on NA

Download Ideal Coordinates CCD File 
EO [auth X]SODIUM ION
Na
FKNQFGJONOIPTF-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 3.39 ?
  • R-Value Free: 0.243 
  • R-Value Work: 0.202 
  • R-Value Observed: 0.204 
  • Space Group: P 65 2 2
Unit Cell:
Length ( ? )Angle ( ? )
a = 279.922¦Á = 90
b = 279.922¦Â = 90
c = 870.586¦Ã = 120
Software Package:
Software NamePurpose
PHENIXrefinement
SCALEPACKdata scaling
PDB_EXTRACTdata extraction
DENZOdata reduction

Structure Validation

View Full Validation Report



Ligand Structure Quality Assessment 


Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 2015-10-21
    Type: Initial release
  • Version 1.1: 2015-10-28
    Changes: Database references
  • Version 1.2: 2015-11-04
    Changes: Database references
  • Version 1.3: 2024-01-10
    Changes: Data collection, Database references, Derived calculations, Refinement description
  • Version 1.4: 2024-11-20
    Changes: Structure summary
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