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Receptor Information

>4fvc Chain B (length=149) Species: 655816 (Bacillus spizizenii str. W23) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKVYITYGTADFLKTIVKKHPSENILLMQGQENAILIHETSGDTVFQAPH
AYEVIDQVGEIKHPGFAVLANIAVTQEGRPLFENKFKNRAGKVENEPGFE
AIRVLRPLDSDTYVILTLWETERAFQDWQQSDSYSIFSRPSYVTTYFAV

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

4fvc Chain B Residue 201 [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	4fvc Crystal structure of HmoB with Heme
Resolution	1.75 Å
Binding residue (original residue number in PDB)	A70 I72 K85 F86 R89 A90 G91 K92 V93 W128 Y134 F153 S157 V159
Binding residue (residue number reindexed from 1)	A70 I72 K85 F86 R89 A90 G91 K92 V93 W128 Y134 F137 S141 V143
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0046872	metal ion binding

PDB	RCSB:4fvc, PDBe:4fvc, PDBj:4fvc
PDBsum	4fvc
PubMed
UniProt	E0TXX3

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Structure of PDB 4fvc Chain B Binding Site BS01