Structure of PDB 1we1 Chain A Binding Site BS02

Receptor Information
>1we1 Chain A (length=222) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVNLASQLREGTKKSHSMAENVGFVKCFLKGVVEKNSYRKLVGNLYFVYS
AMEEEMAKFKDHPILSHIYFPELNRKQSLEQDLQFYYGSNWRQEVKISAA
GQAYVDRVRQVAATAPELLVAHSYTRYLGDLSGGQILKKIAQNAMNLHDG
GTAFYEFADIDDEKAFKNTYRQAMNDLPIDQATAERIVDEANDAFAMNMK
MFNELEGNLIKAIGIMVFNSLT
Ligand information
Ligand IDIPA
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChIKeyKFZMGEQAYNKOFK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 11.02OC(C)C
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CC(C)O
FormulaC3 H8 O
NameISOPROPYL ALCOHOL;
2-PROPANOL
ChEMBLCHEMBL582
DrugBankDB02325
ZINCZINC000000901159
PDB chain1we1 Chain A Residue 1005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1we1 Crystal structure of heme oxygenase-1 from cyanobacterium Synechocystis sp. PCC 6803 in complex with heme
Resolution2.5 Å
Binding residue
(original residue number in PDB)		M57 Y70 N75 Y128
Binding residue
(residue number reindexed from 1)		M56 Y69 N74 Y127
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N22 Y50 T126 R127 G130 D131 G135
Catalytic site (residue number reindexed from 1) N21 Y49 T125 R126 G129 D130 G134
Enzyme Commision number 1.14.14.18: heme oxygenase (biliverdin-producing).
Gene Ontology
Molecular Function
GO:0004392 heme oxygenase (decyclizing) activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006788 heme oxidation
GO:0006979 response to oxidative stress
GO:0015979 photosynthesis
GO:0042167 heme catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1we1, PDBe:1we1, PDBj:1we1
PDBsum1we1
PubMed15560792
UniProtP72849|HO1_SYNY3 Heme oxygenase 1 (Gene Name=pbsA1)

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