Structure of PDB 8b4o Chain A Binding Site BS03

Receptor Information
>8b4o Chain A (length=442) Species: 1718 (Corynebacterium glutamicum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVVDIARWQFGITTVYHFIFVPLTIGLAPLVAIMQTFWQVTGKEHWYRA
TRFFGTVLLINFAVGVATGIVQEFQFGMNWSEYSRFVGDVFGGPLALEGL
IAFFLESVFLGLWIFGWGKIPGWLHTASIWIVAIATNISAYFIIVANSFM
QHPVGAEYNPETGRAELTDFWALLTNSTALAAFPHAVAGGFLTAGTFVLG
ISGWWIIRAHRQSKHSMHRPALWVGWWTTVVSSVALFITGDTQAKLMFVQ
QPMKMASAGVNQLQAAAEQAYGPGNYSPNLFVTYWSFRAMIGLMLGSLAI
AAIAWLLLRKKRTPTGKIARLFQIGSLIAIPFPFLANSAGWIFTEMGRQP
WVVHPNPESAGDARTEMIRMTVDMGVSDHAPWQVWLTLIGFTILYLILFV
VWVWLIRRAVLIGPPEEGAPSVEAKTGPATPIGSDMPMTPLQ
Ligand information
Ligand IDHEB
InChIInChI=1S/C34H36N4O4.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;/h8,13-16H,2,7,9-12H2,1,3-6H3,(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-;
InChIKeyNEGHHAJBRZGUAY-RGGAHWMASA-L
SMILES
SoftwareSMILES
CACTVS 3.385CCC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C
CACTVS 3.385CCC1=C(C)C2=NC1=Cc3n4[Fe][N@@]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CCC(O)=O)C)C
OpenEye OEToolkits 2.0.7CCC1=C(C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C(=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C)C)C
FormulaC34 H34 Fe N4 O4
NameHEME B/C;
HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE)
ChEMBL
DrugBank
ZINC
PDB chain8b4o Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8b4o Cryo-EM structure of cytochrome bd oxidase from C. glutamicum
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A182 H185 G189 L245 G249 Q252 A253 K263 M349 I350 M353 N396 G399 W400 F402 T403
Binding residue
(residue number reindexed from 1)		A182 H185 G189 L236 G240 Q243 A244 K254 M290 I291 M294 N337 G340 W341 F343 T344
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer 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:0019646 aerobic electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0070069 cytochrome complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8b4o, PDBe:8b4o, PDBj:8b4o
PDBsum8b4o
PubMed
UniProtQ9KWL8

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