3L73 | pdb_00003l73

Cytochrome BC1 complex from chicken with triazolone inhibitor

PDB DOI: https://doi.org/10.2210/pdb3L73/pdb

Classification: OXIDOREDUCTASE
Organism(s): Gallus gallus
Mutation(s): No
Membrane Protein: Yes PDBTM

Deposited: 2009-12-27 Released: 2010-02-02
Deposition Author(s): Huang, L., Berry, E.A.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 3.04 ?
R-Value Free:
0.293 (Depositor), 0.280 (DCC)
R-Value Work:
0.259 (Depositor), 0.250 (DCC)
R-Value Observed:
0.260 (Depositor)

Starting Model: experimental
View more details

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 2.0 of the entry. See complete history.

Literature

Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors.

Huang, L., Berry, E.A.

To be published.

Macromolecule Content

Total Structure Weight: 480.48 kDa
Atom Count: 32,645
Modeled Residue Count: 4,069
Deposited Residue Count: 4,160
Unique protein chains: 10

Macromolecules

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Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
MITOCHONDRIAL UBIQUINOL-CYTOCHROME-C REDUCTASE COMPLEX CORE PROTEIN I	A, K [auth N]	446	Gallus gallus	Mutation(s): 0 EC: 1.10.2.2
UniProt
Find proteins for D0VX31 (Gallus gallus) Explore D0VX31 Go to UniProtKB: D0VX31
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	D0VX31
Sequence Annotations Expand
Reference Sequence

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Entity ID: 2
Molecule	Chains	Sequence Length	Organism	Details	Image
MITOCHONDRIAL UBIQUINOL-CYTOCHROME-C REDUCTASE COMPLEX CORE PROTEIN 2	B, L [auth O]	441	Gallus gallus	Mutation(s): 0 EC: 1.10.2.2
UniProt
Find proteins for D0VX29 (Gallus gallus) Explore D0VX29 Go to UniProtKB: D0VX29
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	D0VX29
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Reference Sequence

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Entity ID: 3
Molecule	Chains	Sequence Length	Organism	Details	Image
CYTOCHROME B	C, M [auth P]	380	Gallus gallus	Mutation(s): 0 EC: 1.10.2.2 Membrane Entity: Yes
UniProt
Find proteins for P18946 (Gallus gallus) Explore P18946 Go to UniProtKB: P18946
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P18946
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Reference Sequence

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Entity ID: 4
Molecule	Chains	Sequence Length	Organism	Details	Image
MITOCHONDRIAL CYTOCHROME C1, HEME PROTEIN	D, N [auth Q]	241	Gallus gallus	Mutation(s): 0 EC: 1.10.2.2 Membrane Entity: Yes
UniProt
Find proteins for D0VX26 (Gallus gallus) Explore D0VX26 Go to UniProtKB: D0VX26
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	D0VX26
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Reference Sequence

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Entity ID: 5
Molecule	Chains	Sequence Length	Organism	Details	Image
CYTOCHROME B-C1 COMPLEX SUBUNIT 5, RIESKE IRONSULFUR PROTEIN, MITOCHONDRIAL	E, O [auth R]	196	Gallus gallus	Mutation(s): 0 EC: 1.10.2.2 (PDB Primary Data), 7.1.1.8 (UniProt) Membrane Entity: Yes
UniProt
Find proteins for Q5ZLR5 (Gallus gallus) Explore Q5ZLR5 Go to UniProtKB: Q5ZLR5
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q5ZLR5
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Reference Sequence

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Entity ID: 6
Molecule	Chains	Sequence Length	Organism	Details	Image
MITOCHONDRIAL UBIQUINOL-CYTOCHROME C REDUCTASE 14 KDA PROTEIN	F, P [auth S]	110	Gallus gallus	Mutation(s): 0 EC: 1.10.2.2 Membrane Entity: Yes
UniProt
Find proteins for D0VX30 (Gallus gallus) Explore D0VX30 Go to UniProtKB: D0VX30
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	D0VX30
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Reference Sequence

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Entity ID: 7
Molecule	Chains	Sequence Length	Organism	Details	Image
MITOCHONDRIAL UBIQUINOL-CYTOCHROME C REDUCTASE UBIQUINONE-BINDING PROTEIN QP-C	G, Q [auth T]	81	Gallus gallus	Mutation(s): 0 EC: 1.10.2.2 Membrane Entity: Yes
UniProt
Find proteins for D0VX32 (Gallus gallus) Explore D0VX32 Go to UniProtKB: D0VX32
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	D0VX32
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Reference Sequence

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Entity ID: 8
Molecule	Chains	Sequence Length	Organism	Details	Image
MITOCHONDRIAL UBIQUINOL-CYTOCHROME C REDUCTASE 11 KDA PROTEIN, COMPLEX III SUBUNIT VIII	H, R [auth U]	77	Gallus gallus	Mutation(s): 0 EC: 1.10.2.2 Membrane Entity: Yes
UniProt
Find proteins for D0VX28 (Gallus gallus) Explore D0VX28 Go to UniProtKB: D0VX28
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UniProt Group	D0VX28
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Reference Sequence

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Entity ID: 9
Molecule	Chains	Sequence Length	Organism	Details	Image
CYTOCHROME B-C1 COMPLEX SUBUNIT RIESKE, MITOCHONDRIAL	I, S [auth V]	47	Gallus gallus	Mutation(s): 0 EC: 1.10.2.2 (PDB Primary Data), 7.1.1.8 (UniProt) Membrane Entity: Yes
UniProt
Find proteins for Q5ZLR5 (Gallus gallus) Explore Q5ZLR5 Go to UniProtKB: Q5ZLR5
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	Q5ZLR5
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Reference Sequence

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Entity ID: 10
Molecule	Chains	Sequence Length	Organism	Details	Image
MITOCHONDRIAL UBIQUINOL-CYTOCHROME C REDUCTASE 7.2 KDA PROTEIN	J, T [auth W]	61	Gallus gallus	Mutation(s): 0 EC: 1.10.2.2 Membrane Entity: Yes
UniProt
Find proteins for D0VX27 (Gallus gallus) Explore D0VX27 Go to UniProtKB: D0VX27
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	D0VX27
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Reference Sequence

Small Molecules

Ligands 9 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
CDL Query on CDL Download Ideal Coordinates CCD File SDF format, chain CA [auth D] SDF format, chain HA [auth G] SDF format, chain WA [auth T] SDF format, chain RA [auth Q] MOL2 format, chain CA [auth D] MOL2 format, chain HA [auth G] MOL2 format, chain WA [auth T] MOL2 format, chain RA [auth Q] mmCIF format, chain CA [auth D] mmCIF format, chain HA [auth G] mmCIF format, chain WA [auth T] mmCIF format, chain RA [auth Q]	CA [auth D], HA [auth G], RA [auth Q], WA [auth T]	CARDIOLIPIN C₈₁ H₁₅₆ O₁₇ P₂ XVTUQDWPJJBEHJ-KZCWQMDCSA-L		Interactions Focus chain CA [auth D] Focus chain HA [auth G] Focus chain RA [auth Q] Focus chain WA [auth T] Interactions & Density Focus chain CA [auth D] Focus chain HA [auth G] Focus chain RA [auth Q] Focus chain WA [auth T]
UQ Query on UQ Download Ideal Coordinates CCD File SDF format, chain MA [auth P] SDF format, chain Y [auth C] MOL2 format, chain MA [auth P] MOL2 format, chain Y [auth C] mmCIF format, chain MA [auth P] mmCIF format, chain Y [auth C]	MA [auth P], Y [auth C]	Coenzyme Q10, (2Z,6E,10Z,14E,18E,22E,26Z)-isomer C₅₉ H₉₀ O₄ ACTIUHUUMQJHFO-RECDIHICSA-N		Interactions Focus chain MA [auth P] Focus chain Y [auth C] Interactions & Density Focus chain MA [auth P] Focus chain Y [auth C]
PEE Query on PEE Download Ideal Coordinates CCD File SDF format, chain GA [auth E] SDF format, chain NA [auth P] SDF format, chain OA [auth P] SDF format, chain VA [auth R] SDF format, chain Z [auth C] SDF format, chain U [auth A] MOL2 format, chain GA [auth E] MOL2 format, chain NA [auth P] MOL2 format, chain OA [auth P] MOL2 format, chain VA [auth R] MOL2 format, chain Z [auth C] MOL2 format, chain U [auth A] mmCIF format, chain GA [auth E] mmCIF format, chain NA [auth P] mmCIF format, chain OA [auth P] mmCIF format, chain VA [auth R] mmCIF format, chain Z [auth C] mmCIF format, chain U [auth A]	GA [auth E] NA [auth P] OA [auth P] U [auth A] VA [auth R] GA [auth E], NA [auth P], OA [auth P], U [auth A], VA [auth R], Z [auth C]	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine C₄₁ H₇₈ N O₈ P MWRBNPKJOOWZPW-NYVOMTAGSA-N		Interactions Focus chain GA [auth E] Focus chain NA [auth P] Focus chain OA [auth P] Focus chain U [auth A] Focus chain VA [auth R] Focus chain Z [auth C] Interactions & Density Focus chain GA [auth E] Focus chain NA [auth P] Focus chain OA [auth P] Focus chain U [auth A] Focus chain VA [auth R] Focus chain Z [auth C]
HEC Query on HEC Download Ideal Coordinates CCD File SDF format, chain BA [auth D] SDF format, chain QA [auth Q] MOL2 format, chain BA [auth D] MOL2 format, chain QA [auth Q] mmCIF format, chain BA [auth D] mmCIF format, chain QA [auth Q]	BA [auth D], QA [auth Q]	HEME C C₃₄ H₃₄ Fe N₄ O₄ HXQIYSLZKNYNMH-LJNAALQVSA-N		Interactions Focus chain BA [auth D] Focus chain QA [auth Q] Interactions & Density Focus chain BA [auth D] Focus chain QA [auth Q]
HEM Query on HEM Download Ideal Coordinates CCD File SDF format, chain IA [auth P] SDF format, chain JA [auth P] SDF format, chain V [auth C] SDF format, chain W [auth C] MOL2 format, chain IA [auth P] MOL2 format, chain JA [auth P] MOL2 format, chain V [auth C] MOL2 format, chain W [auth C] mmCIF format, chain IA [auth P] mmCIF format, chain JA [auth P] mmCIF format, chain V [auth C] mmCIF format, chain W [auth C]	IA [auth P], JA [auth P], V [auth C], W [auth C]	PROTOPORPHYRIN IX CONTAINING FE C₃₄ H₃₂ Fe N₄ O₄ KABFMIBPWCXCRK-RGGAHWMASA-L		Interactions Focus chain IA [auth P] Focus chain JA [auth P] Focus chain V [auth C] Focus chain W [auth C] Interactions & Density Focus chain IA [auth P] Focus chain JA [auth P] Focus chain V [auth C] Focus chain W [auth C]
JZZ Query on JZZ Download Ideal Coordinates CCD File SDF format, chain LA [auth P] SDF format, chain X [auth C] MOL2 format, chain LA [auth P] MOL2 format, chain X [auth C] mmCIF format, chain LA [auth P] mmCIF format, chain X [auth C]	LA [auth P], X [auth C]	4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one C₂₀ H₂₁ N₃ O₂ XLOATFKILHMZGY-UHFFFAOYSA-N		Interactions Focus chain LA [auth P] Focus chain X [auth C] Interactions & Density Focus chain LA [auth P] Focus chain X [auth C]
BOG Query on BOG Download Ideal Coordinates CCD File SDF format, chain DA [auth D] SDF format, chain EA [auth D] SDF format, chain KA [auth P] SDF format, chain SA [auth Q] SDF format, chain TA [auth Q] MOL2 format, chain DA [auth D] MOL2 format, chain EA [auth D] MOL2 format, chain KA [auth P] MOL2 format, chain SA [auth Q] MOL2 format, chain TA [auth Q] mmCIF format, chain DA [auth D] mmCIF format, chain EA [auth D] mmCIF format, chain KA [auth P] mmCIF format, chain SA [auth Q] mmCIF format, chain TA [auth Q]	DA [auth D], EA [auth D], KA [auth P], SA [auth Q], TA [auth Q]	octyl beta-D-glucopyranoside C₁₄ H₂₈ O₆ HEGSGKPQLMEBJL-RKQHYHRCSA-N		Interactions Focus chain DA [auth D] Focus chain EA [auth D] Focus chain KA [auth P] Focus chain SA [auth Q] Focus chain TA [auth Q] Interactions & Density Focus chain DA [auth D] Focus chain EA [auth D] Focus chain KA [auth P] Focus chain SA [auth Q] Focus chain TA [auth Q]
FES Query on FES Download Ideal Coordinates CCD File SDF format, chain FA [auth E] SDF format, chain UA [auth R] MOL2 format, chain FA [auth E] MOL2 format, chain UA [auth R] mmCIF format, chain FA [auth E] mmCIF format, chain UA [auth R]	FA [auth E], UA [auth R]	FE2/S2 (INORGANIC) CLUSTER Fe₂ S₂ NIXDOXVAJZFRNF-UHFFFAOYSA-N		Interactions Focus chain FA [auth E] Focus chain UA [auth R] Interactions & Density Focus chain FA [auth E] Focus chain UA [auth R]
GOL Query on GOL Download Ideal Coordinates CCD File SDF format, chain AA [auth C] SDF format, chain PA [auth P] MOL2 format, chain AA [auth C] MOL2 format, chain PA [auth P] mmCIF format, chain AA [auth C] mmCIF format, chain PA [auth P]	AA [auth C], PA [auth P]	GLYCEROL C₃ H₈ O₃ PEDCQBHIVMGVHV-UHFFFAOYSA-N		Interactions Focus chain AA [auth C] Focus chain PA [auth P] Interactions & Density Focus chain AA [auth C] Focus chain PA [auth P]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 3.04 ?
R-Value Free: 0.293 (Depositor), 0.280 (DCC)
R-Value Work: 0.259 (Depositor), 0.250 (DCC)
R-Value Observed: 0.260 (Depositor)

Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( ? )	Angle ( ? )
a = 171.499	α = 90
b = 182.934	β = 90
c = 241.028	γ = 90

Software Package:

Software Name	Purpose
Blu-Ice	data collection
CNS	refinement
DENZO	data reduction
SCALEPACK	data scaling
CNS	phasing

Structure Validation

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Ligand Structure Quality Assessment

Entry History

Deposition Data

Released Date: 2010-02-02

Deposition Author(s):

Huang, L.

Berry, E.A.

Revision History (Full details and data files)

Version 1.0: 2010-02-02
Type: Initial release
Version 1.1: 2011-07-13
Changes: Version format compliance
Version 1.2: 2014-10-29
Changes: Non-polymer description
Version 1.3: 2017-11-01
Changes: Refinement description
Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary
Version 2.0: 2023-09-06
Changes: Advisory, Atomic model, Data collection, Database references, Derived calculations, Non-polymer description, Refinement description, Structure summary

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Deposit Data

Help and Resources

.id_divider{ color: #ccc; padding: 0 10px 0 10px; } .extended_id_info{ color: #ccc; font-size: 18px; position: relative; top: -10px; left: 4px; } 3L73 | pdb_00003l73

Cytochrome BC1 complex from chicken with triazolone inhibitor

Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors.

Entity ID: 1

UniProt

Entity Groups

Sequence Annotations

Entity ID: 2

UniProt

Entity Groups

Sequence Annotations

Entity ID: 3

UniProt

Entity Groups

Sequence Annotations

Entity ID: 4

UniProt

Entity Groups

Sequence Annotations

Entity ID: 5

UniProt

Entity Groups

Sequence Annotations

Entity ID: 6

UniProt

Entity Groups

Sequence Annotations

Entity ID: 7

UniProt

Entity Groups

Sequence Annotations

Entity ID: 8

UniProt

Entity Groups

Sequence Annotations

Entity ID: 9

UniProt

Entity Groups

Sequence Annotations

Entity ID: 10

UniProt

Entity Groups

Sequence Annotations

Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)

3L73 | pdb_00003l73