Structure of PDB 4oz5 Chain A Binding Site BS01

Receptor Information
>4oz5 Chain A (length=155) Species: 703612 (Bacillus spizizenii ATCC 6633 = JCM 2499) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVYITYGTADFLKTIVKKHPSENILLMQGQENAILIHETSGDTVFQAPH
AYEVIDQVGEIKHPGFAVLNNIAVTQEGRPLFENKFKNRAGKVENEPGFE
AIRVLRPLDSDTYVILTLWETERAFQDWQQSDSYKEAHKKIFSRPSYVTT
YFAVE
Ligand information
Ligand IDHEM
InChIInChI=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-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(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 3.385CC1=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 12.01C=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
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain4oz5 Chain A Residue 201 [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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PDB4oz5 Bacillus subtilis HmoB
Resolution2.71 Å
Binding residue
(original residue number in PDB)		N70 K85 F86 R89 G91 V93 W128 A137 H138
Binding residue
(residue number reindexed from 1)		N70 K85 F86 R89 G91 V93 W128 A137 H138
Annotation score4
Enzymatic activity
Enzyme Commision number 1.14.14.18: heme oxygenase (biliverdin-producing).
Gene Ontology
Molecular Function
GO:0004392 heme oxygenase (decyclizing) activity
GO:0004497 monooxygenase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4oz5, PDBe:4oz5, PDBj:4oz5
PDBsum4oz5
PubMed
UniProtP38049|HMOB_BACSU Heme-degrading monooxygenase HmoB (Gene Name=hmoB)

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