BioLiP

Receptor Information

>7oy2 Chain C (length=454) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

WDVIDLSRWQFALTALYHFLFVPLTLGLIFLLAIMETIYVVTGKTIYRDM
TRFWGKLFGINFALGVATGLTMEFQFGTNWSFYSNYVGDIFGAPLAMEAL
MAFFLESTFVGLFFFGWQRLNKYQHLLVTWLVAFGSNLSALWILNANGWM
QYPTGAHFDIDTLRMEMTSFSELVFNPVSQVKFVHTVMAGYVTGAMFIMA
ISAWYLLRGRERNVALRSFAIGSVFGTLAIIGTLQLGDSSAYEVAQVQPV
KLAAMEGENLMAETYPRLQRGRMAWLLMQEISQGNREPHVLQAFRGLEGD
LGYGMLLSRYAPDMNHVTAAQYQAAMRGAIPQVAPVFWSFRIMVGCGSLL
LLVMLIALVQTLRGKIDQHRWVLKMALWSLPLPWIAIEAGWFMTEFGRQP
WAIQDILPTYSAHSALTTGQLAFSLIMIVGLYTLFLIAEVYLMQKYARLG
PSAM

Ligand ID

HDD

InChI

InChI=1S/C34H32N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23;/h7-8,13-16,42H,1-2,9-12H2,3-6H3,(H,39,40);/q-4;+4/b23-13-,26-14-,29-15-,30-16-;/t33-,34+;/m0./s1

InChIKey

UMGOPAWIGKFTRK-QQDQPIDJSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)[C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O
CACTVS 3.341	Cc1c(CCC(O)=O)c2C=C3N4C(=Cc5n6c(C=C7N8C(=Cc1n2[Fe]468)C(=C7C=C)C)c(C)c5C=C)[C](C)(O)[C]39CCC(=O)O9
CACTVS 3.341	Cc1c(CCC(O)=O)c2C=C3N4C(=Cc5n6c(C=C7N8C(=Cc1n2[Fe@]468)C(=C7C=C)C)c(C)c5C=C)[C@](C)(O)[C@@]39CCC(=O)O9
ACDLabs 10.04	O=C(O)CCc1c(c2C=C7C(=C(\C=C)C6=Cc5c(c(\C=C)c4C=C9N3C(=Cc1n2[Fe]3(n45)N67)C8(OC(=O)CC8)C9(O)C)C)C)C
OpenEye OEToolkits 1.5.0	Cc1c2n3c(c1CCC(=O)O)C=C4C5(CCC(=O)O5)C(C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(=C(C9=C8)C=C)C)C)C=C)(C)O

Formula

C34 H32 Fe N4 O5

Name

CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE;
HEME

ChEMBL

DrugBank

ZINC

PDB chain

7oy2 Chain C Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7oy2 Mechanistic and structural diversity between cytochrome bd isoforms of Escherichia coli .
Resolution	2.06 Å
Binding residue (original residue number in PDB)	H19 F20 V23 L27 F63 V67 G70 M73 E74 F104 E107 S108 S140 A141 I144 L145
Binding residue (residue number reindexed from 1)	H18 F19 V22 L26 F62 V66 G69 M72 E73 F103 E106 S107 S139 A140 I143 L144
Annotation score	1

Enzyme Commision number

7.1.1.3: ubiquinol oxidase (H(+)-transporting).

	Molecular Function
GO:0009055	electron transfer activity
GO:0009486	cytochrome bo3 ubiquinol oxidase activity
GO:0016682	oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor
GO:0020037	heme binding
GO:0046872	metal ion binding

	Biological Process
GO:0006119	oxidative phosphorylation
GO:0019646	aerobic electron transport chain
GO:0055085	transmembrane transport

	Cellular Component
GO:0005886	plasma membrane
GO:0016020	membrane
GO:0070069	cytochrome complex

PDB	RCSB:7oy2, PDBe:7oy2, PDBj:7oy2
PDBsum	7oy2
PubMed	34873041
UniProt	P26459\|APPC_ECOLI Cytochrome bd-II ubiquinol oxidase subunit 1 (Gene Name=appC)

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Structure of PDB 7oy2 Chain C Binding Site BS04