Structure of PDB 1ntm Chain C Binding Site BS01
Receptor Information
>1ntm Chain C (length=378) Species:
9913
(Bos taurus) [
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TNIRKSHPLMKIVNNAFIDLPAPSNISSWWNFGSLLGICLILQILTGLFL
AMHYTSDTTTAFSSVTHICRDVNYGWIIRYMHANGASMFFICLYMHVGRG
LYYGSYTFLETWNIGVILLLTVMATAFMGYVLPWGQMSFWGATVITNLLS
AIPYIGTNLVEWIWGGFSVDKATLTRFFAFHFILPFIIMAIAMVHLLFLH
ETGSNNPTGISSDVDKIPFHPYYTIKDILGALLLILALMLLVLFAPDLLG
DPDNYTPANPLNTPPHIKPEWYFLFAYAILRSIPNKLGGVLALAFSILIL
ALIPLLHTSKQRSMMFRPLSQCLFWALVADLLTLTWIGGQPVEHPYITIG
QLASVLYFLLILVLMPTAGTIENKLLKW
Ligand information
Ligand ID
HEM
InChI
InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKey
KABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
Software
SMILES
OpenEye OEToolkits 1.7.6
Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385
CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01
C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
Formula
C34 H32 Fe N4 O4
Name
PROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBank
DB18267
ZINC
PDB chain
1ntm Chain C Residue 381 [
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Receptor-Ligand Complex Structure
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PDB
1ntm
Structural basis for the quinone reduction in the bc(1) complex: a comparative analysis of crystal structures of mitochondrial cytochrome bc(1) with bound substrate and inhibitors at the Q(i) site
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
Q44 I45 G48 L49 Y55 R80 H83 A84 A87 T126 G130 Y131 L133 H182 P186
Binding residue
(residue number reindexed from 1)
Q43 I44 G47 L48 Y54 R79 H82 A83 A86 T125 G129 Y130 L132 H181 P185
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
H201 S205 K227 D228 E271
Catalytic site (residue number reindexed from 1)
H200 S204 K226 D227 E270
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0008121
ubiquinol-cytochrome-c reductase activity
GO:0009055
electron transfer activity
GO:0016491
oxidoreductase activity
GO:0020037
heme binding
GO:0046872
metal ion binding
GO:0048039
ubiquinone binding
Biological Process
GO:0006122
mitochondrial electron transport, ubiquinol to cytochrome c
GO:0022904
respiratory electron transport chain
GO:1902600
proton transmembrane transport
Cellular Component
GO:0005739
mitochondrion
GO:0005743
mitochondrial inner membrane
GO:0016020
membrane
GO:0031966
mitochondrial membrane
GO:0045275
respiratory chain complex III
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1ntm
,
PDBe:1ntm
,
PDBj:1ntm
PDBsum
1ntm
PubMed
12885240
UniProt
P00157
|CYB_BOVIN Cytochrome b (Gene Name=MT-CYB)
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