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Receptor Information

>6vz6 Chain A (length=77) Species: 29291 (Methanococcoides burtonii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AMEEFTTEELAKYNGKDGEKCYFAYKGKVYDVTESMLWEDGDHQGMHEGG
IDLTADHEDAPHDDDVLEDFPVVGTLK

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

PDB chain

6vz6 Chain A Residue 101 [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	6vz6 Methanococcoides burtonii cytochrome b5 domain protein (WP 011499504.1)
Resolution	2.1 Å
Binding residue (original residue number in PDB)	F22 S34 L36 W37 H42 Q43 H46 L52 D55 H56 A59 P60 H61 V65 F69
Binding residue (residue number reindexed from 1)	F23 S35 L37 W38 H43 Q44 H47 L53 D56 H57 A60 P61 H62 V66 F70
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0046872	metal ion binding

PDB	RCSB:6vz6, PDBe:6vz6, PDBj:6vz6
PDBsum	6vz6
PubMed
UniProt	Q12W16

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Structure of PDB 6vz6 Chain A Binding Site BS01