5MZR

X-ray structure of the H235Q mutant of GLIC in complex with propofol

PDB DOI: https://doi.org/10.2210/pdb5MZR/pdb

Classification: TRANSPORT PROTEIN
Organism(s): Gloeobacter violaceus PCC 7421
Expression System: Gloeobacter violaceus PCC 7421
Mutation(s): Yes
Membrane Protein: Yes PDBTMMemProtMDmpstruc

Deposited: 2017-02-01 Released: 2018-02-14
Deposition Author(s): Fourati, Z., Delarue, M.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.65 ?
R-Value Free: 0.210
R-Value Work: 0.191
R-Value Observed: 0.192

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.2 of the entry. See complete history.

Literature

X-ray structure of the H235Q mutant of GLIC in complex with propofol

Fourati, Z., Delarue, M.

To be published.

Macromolecule Content

Total Structure Weight: 201.14 kDa
Atom Count: 13,403
Modelled Residue Count: 1,555
Deposited Residue Count: 1,635
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Proton-gated ion channel	A, B, C, D, E	327	Gloeobacter violaceus PCC 7421	Mutation(s): 1 Gene Names: glvI, glr4197 Membrane Entity: Yes
UniProt
Find proteins for Q7NDN8 (Gloeobacter violaceus (strain ATCC 29082 / PCC 7421)) Explore Q7NDN8 Go to UniProtKB: Q7NDN8
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q7NDN8
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 6 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
PLC Query on PLC Download Ideal Coordinates CCD File SDF format, chain BA [auth C] SDF format, chain H [auth A] SDF format, chain TA [auth E] SDF format, chain UA [auth E] SDF format, chain AA [auth C] SDF format, chain CA [auth C] SDF format, chain F [auth A] SDF format, chain G [auth A] SDF format, chain JA [auth D] SDF format, chain KA [auth D] SDF format, chain LA [auth D] SDF format, chain S [auth B] SDF format, chain T [auth B] SDF format, chain U [auth B] SDF format, chain VA [auth E] MOL2 format, chain BA [auth C] MOL2 format, chain H [auth A] MOL2 format, chain TA [auth E] MOL2 format, chain UA [auth E] MOL2 format, chain AA [auth C] MOL2 format, chain CA [auth C] MOL2 format, chain F [auth A] MOL2 format, chain G [auth A] MOL2 format, chain JA [auth D] MOL2 format, chain KA [auth D] MOL2 format, chain LA [auth D] MOL2 format, chain S [auth B] MOL2 format, chain T [auth B] MOL2 format, chain U [auth B] MOL2 format, chain VA [auth E] mmCIF format, chain BA [auth C] mmCIF format, chain H [auth A] mmCIF format, chain TA [auth E] mmCIF format, chain UA [auth E] mmCIF format, chain AA [auth C] mmCIF format, chain CA [auth C] mmCIF format, chain F [auth A] mmCIF format, chain G [auth A] mmCIF format, chain JA [auth D] mmCIF format, chain KA [auth D] mmCIF format, chain LA [auth D] mmCIF format, chain S [auth B] mmCIF format, chain T [auth B] mmCIF format, chain U [auth B] mmCIF format, chain VA [auth E]	AA [auth C] BA [auth C] CA [auth C] F [auth A] G [auth A] AA [auth C], BA [auth C], CA [auth C], F [auth A], G [auth A], H [auth A], JA [auth D], KA [auth D], LA [auth D], S [auth B], T [auth B], TA [auth E], U [auth B], UA [auth E], VA [auth E]	DIUNDECYL PHOSPHATIDYL CHOLINE C₃₂ H₆₅ N O₈ P IJFVSSZAOYLHEE-SSEXGKCCSA-O		Interactions Focus chain AA [auth C] Focus chain BA [auth C] Focus chain CA [auth C] Focus chain F [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain JA [auth D] Focus chain KA [auth D] Focus chain LA [auth D] Focus chain S [auth B] Focus chain T [auth B] Focus chain TA [auth E] Focus chain U [auth B] Focus chain UA [auth E] Focus chain VA [auth E] Interactions & Density Focus chain AA [auth C] Focus chain BA [auth C] Focus chain CA [auth C] Focus chain F [auth A] Focus chain G [auth A] Focus chain H [auth A] Focus chain JA [auth D] Focus chain KA [auth D] Focus chain LA [auth D] Focus chain S [auth B] Focus chain T [auth B] Focus chain TA [auth E] Focus chain U [auth B] Focus chain UA [auth E] Focus chain VA [auth E]
LMT Query on LMT Download Ideal Coordinates CCD File SDF format, chain PA [auth D] SDF format, chain GA [auth C] SDF format, chain N [auth A] SDF format, chain O [auth A] SDF format, chain Y [auth B] SDF format, chain ZA [auth E] MOL2 format, chain PA [auth D] MOL2 format, chain GA [auth C] MOL2 format, chain N [auth A] MOL2 format, chain O [auth A] MOL2 format, chain Y [auth B] MOL2 format, chain ZA [auth E] mmCIF format, chain PA [auth D] mmCIF format, chain GA [auth C] mmCIF format, chain N [auth A] mmCIF format, chain O [auth A] mmCIF format, chain Y [auth B] mmCIF format, chain ZA [auth E]	GA [auth C] N [auth A] O [auth A] PA [auth D] Y [auth B] GA [auth C], N [auth A], O [auth A], PA [auth D], Y [auth B], ZA [auth E]	DODECYL-BETA-D-MALTOSIDE C₂₄ H₄₆ O₁₁ NLEBIOOXCVAHBD-QKMCSOCLSA-N		Interactions Focus chain GA [auth C] Focus chain N [auth A] Focus chain O [auth A] Focus chain PA [auth D] Focus chain Y [auth B] Focus chain ZA [auth E] Interactions & Density Focus chain GA [auth C] Focus chain N [auth A] Focus chain O [auth A] Focus chain PA [auth D] Focus chain Y [auth B] Focus chain ZA [auth E]
PFL Query on PFL Download Ideal Coordinates CCD File SDF format, chain AB [auth E] SDF format, chain HA [auth C] SDF format, chain Q [auth A] SDF format, chain RA [auth D] MOL2 format, chain AB [auth E] MOL2 format, chain HA [auth C] MOL2 format, chain Q [auth A] MOL2 format, chain RA [auth D] mmCIF format, chain AB [auth E] mmCIF format, chain HA [auth C] mmCIF format, chain Q [auth A] mmCIF format, chain RA [auth D]	AB [auth E], HA [auth C], Q [auth A], RA [auth D]	2,6-BIS(1-METHYLETHYL)PHENOL C₁₂ H₁₈ O OLBCVFGFOZPWHH-UHFFFAOYSA-N		Interactions Focus chain AB [auth E] Focus chain HA [auth C] Focus chain Q [auth A] Focus chain RA [auth D] Interactions & Density Focus chain AB [auth E] Focus chain HA [auth C] Focus chain Q [auth A] Focus chain RA [auth D]
ACT Query on ACT Download Ideal Coordinates CCD File SDF format, chain IA [auth D] SDF format, chain X [auth B] SDF format, chain FA [auth C] SDF format, chain M [auth A] SDF format, chain OA [auth D] SDF format, chain P [auth A] SDF format, chain QA [auth D] SDF format, chain SA [auth E] SDF format, chain YA [auth E] SDF format, chain Z [auth C] MOL2 format, chain IA [auth D] MOL2 format, chain X [auth B] MOL2 format, chain FA [auth C] MOL2 format, chain M [auth A] MOL2 format, chain OA [auth D] MOL2 format, chain P [auth A] MOL2 format, chain QA [auth D] MOL2 format, chain SA [auth E] MOL2 format, chain YA [auth E] MOL2 format, chain Z [auth C] mmCIF format, chain IA [auth D] mmCIF format, chain X [auth B] mmCIF format, chain FA [auth C] mmCIF format, chain M [auth A] mmCIF format, chain OA [auth D] mmCIF format, chain P [auth A] mmCIF format, chain QA [auth D] mmCIF format, chain SA [auth E] mmCIF format, chain YA [auth E] mmCIF format, chain Z [auth C]	FA [auth C] IA [auth D] M [auth A] OA [auth D] P [auth A] FA [auth C], IA [auth D], M [auth A], OA [auth D], P [auth A], QA [auth D], SA [auth E], X [auth B], YA [auth E], Z [auth C]	ACETATE ION C₂ H₃ O₂ QTBSBXVTEAMEQO-UHFFFAOYSA-M		Interactions Focus chain FA [auth C] Focus chain IA [auth D] Focus chain M [auth A] Focus chain OA [auth D] Focus chain P [auth A] Focus chain QA [auth D] Focus chain SA [auth E] Focus chain X [auth B] Focus chain YA [auth E] Focus chain Z [auth C] Interactions & Density Focus chain FA [auth C] Focus chain IA [auth D] Focus chain M [auth A] Focus chain OA [auth D] Focus chain P [auth A] Focus chain QA [auth D] Focus chain SA [auth E] Focus chain X [auth B] Focus chain YA [auth E] Focus chain Z [auth C]
CL Query on CL Download Ideal Coordinates CCD File SDF format, chain MA [auth D] SDF format, chain V [auth B] SDF format, chain DA [auth C] SDF format, chain I [auth A] SDF format, chain J [auth A] SDF format, chain K [auth A] SDF format, chain WA [auth E] MOL2 format, chain MA [auth D] MOL2 format, chain V [auth B] MOL2 format, chain DA [auth C] MOL2 format, chain I [auth A] MOL2 format, chain J [auth A] MOL2 format, chain K [auth A] MOL2 format, chain WA [auth E] mmCIF format, chain MA [auth D] mmCIF format, chain V [auth B] mmCIF format, chain DA [auth C] mmCIF format, chain I [auth A] mmCIF format, chain J [auth A] mmCIF format, chain K [auth A] mmCIF format, chain WA [auth E]	DA [auth C] I [auth A] J [auth A] K [auth A] MA [auth D] DA [auth C], I [auth A], J [auth A], K [auth A], MA [auth D], V [auth B], WA [auth E]	CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M		Interactions Focus chain DA [auth C] Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain MA [auth D] Focus chain V [auth B] Focus chain WA [auth E] Interactions & Density Focus chain DA [auth C] Focus chain I [auth A] Focus chain J [auth A] Focus chain K [auth A] Focus chain MA [auth D] Focus chain V [auth B] Focus chain WA [auth E]
NA Query on NA Download Ideal Coordinates CCD File SDF format, chain R [auth B] SDF format, chain EA [auth C] SDF format, chain L [auth A] SDF format, chain NA [auth D] SDF format, chain W [auth B] SDF format, chain XA [auth E] MOL2 format, chain R [auth B] MOL2 format, chain EA [auth C] MOL2 format, chain L [auth A] MOL2 format, chain NA [auth D] MOL2 format, chain W [auth B] MOL2 format, chain XA [auth E] mmCIF format, chain R [auth B] mmCIF format, chain EA [auth C] mmCIF format, chain L [auth A] mmCIF format, chain NA [auth D] mmCIF format, chain W [auth B] mmCIF format, chain XA [auth E]	EA [auth C] L [auth A] NA [auth D] R [auth B] W [auth B] EA [auth C], L [auth A], NA [auth D], R [auth B], W [auth B], XA [auth E]	SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N		Interactions Focus chain EA [auth C] Focus chain L [auth A] Focus chain NA [auth D] Focus chain R [auth B] Focus chain W [auth B] Focus chain XA [auth E] Interactions & Density Focus chain EA [auth C] Focus chain L [auth A] Focus chain NA [auth D] Focus chain R [auth B] Focus chain W [auth B] Focus chain XA [auth E]