Structure of PDB 1oa0 Chain A Binding Site BS02

Receptor Information
>1oa0 Chain A (length=543) Species: 876 (Desulfovibrio desulfuricans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAMFCYQCQETVGNKGCTQVGVCGKKPETAALQDALIYVTKGLGQIATR
LRAEGKAVDHRIDRLVTGNLFATITNANFDDDILAERVRMTCAAKKELAA
SLTDKSGLSDAALWEASEKSAMLAKAGTVGVMATTDDDVRSLRWLITFGL
KGMAAYAKHADVLGKHENSLDAFMQEALAKTLDDSLSVADLVALTLETGK
FGVSAMALLDAANTGTYGHPEITKVNIGVGSNPGILISGHDLRDLEMLLK
QTEGTGVDVYTHSEMLPAHYYPAFKKYAHFKGNYGNAWWKQKEEFESFNG
PVLLTTNCLVPPKDSYKDRVYTTGIVGFTGCKHIPGEIGEHKDFSAIIAH
AKTCPAPTEIESGEIIGGFAHNQVLALADKVIDAVKSGAIKKFVVMAGCD
GRAKSRSYYTDFAEGLPKDTVILTAGCAKYRYNKLNLGDIGGIPRVLDAG
QCNDSYSLAVIALKLKEVFGLEDVNDLPIVYNIAWYEQKAVIVLLALLSL
GVKNIHLGPTLPAFLSPNVAKVLVEQFNIGGITSPQDDLKAFF
Ligand information
Ligand IDSF3
InChIInChI=1S/4Fe.3S
InChIKeyQQACTBFBZNWJMV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7S1[Fe][S@@]2[Fe]1[S@@]([Fe]2)[Fe]
OpenEye OEToolkits 2.0.7S1[Fe][S]2[Fe]1[S]([Fe]2)[Fe]
CACTVS 3.385[Fe]S[Fe]S[Fe]S[Fe]
FormulaFe4 S3
NameFE4-S3 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1oa0 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1oa0 Reduced hybrid cluster proteins (HCP) from Desulfovibrio desulfuricans ATCC 27774 and Desulfovibrio vulgaris (Hildenborough): X-ray structures at high resolution using synchrotron radiation.
Resolution1.25 Å
Binding residue
(original residue number in PDB)		H240 E264 W288 C308 C399 C427 C452 E487
Binding residue
(residue number reindexed from 1)		H240 E264 W288 C308 C399 C427 C452 E487
Annotation score1
Enzymatic activity
Enzyme Commision number 1.7.99.1: hydroxylamine reductase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004601 peroxidase activity
GO:0016491 oxidoreductase activity
GO:0016661 oxidoreductase activity, acting on other nitrogenous compounds as donors
GO:0046872 metal ion binding
GO:0050418 hydroxylamine reductase activity
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042542 response to hydrogen peroxide
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1oa0, PDBe:1oa0, PDBj:1oa0
PDBsum1oa0
PubMed12764602
UniProtQ01770|HCP_DESDA Hydroxylamine reductase (Gene Name=hcp)

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