Structure of PDB 1ntz Chain D Binding Site BS01
Receptor Information
>1ntz Chain D (length=241) Species:
9913
(Bos taurus) [
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SDLELHPPSYPWSHRGLLSSLDHTSIRRGFQVYKQVCSSCHSMDYVAYRH
LVGVCYTEDEAKALAEEVEVQDGPNEDGEMFMRPGKLSDYFPKPYPNPEA
ARAANNGALPPDLSYIVRARHGGEDYVFSLLTGYCEPPTGVSLREGLYFN
PYFPGQAIGMAPPIYNEVLEFDDGTPATMSQVAKDVCTFLRWAAEPEHDH
RKRMGLKMLLMMGLLLPLVYAMKRHKWSVLKSRKLAYRPPK
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
1ntz Chain D Residue 242 [
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Receptor-Ligand Complex Structure
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PDB
1ntz
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
2.6 Å
Binding residue
(original residue number in PDB)
C37 C40 H41 N105 P110 P111 R120 Y126 L131 G159 M160 I164
Binding residue
(residue number reindexed from 1)
C37 C40 H41 N105 P110 P111 R120 Y126 L131 G159 M160 I164
Annotation score
1
Enzymatic activity
Enzyme Commision number
7.1.1.8
: quinol--cytochrome-c reductase.
Gene Ontology
Molecular Function
GO:0009055
electron transfer activity
GO:0020037
heme binding
View graph for
Molecular Function
External links
PDB
RCSB:1ntz
,
PDBe:1ntz
,
PDBj:1ntz
PDBsum
1ntz
PubMed
12885240
UniProt
P00125
|CY1_BOVIN Cytochrome c1, heme protein, mitochondrial (Gene Name=CYC1)
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