Structure of PDB 1ubo Chain S Binding Site BS03
Receptor Information
>1ubo Chain S (length=267) Species:
883
(Nitratidesulfovibrio vulgaris str. 'Miyazaki F') [
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LMGPRRPSVVYLHNAECTGCSESVLRAFEPYIDTLILDTLSLDYHETIMA
AAGDAAEAALEQAVNSPHGFIAVVEGGIPTAANGIYGKVANHTMLDICSR
ILPKAQAVIAYGTCATFGGVQAAKPNPTGAKGVNDALKHLGVKAINIAGC
PPNPYNLVGTIVYYLKNKAAPELDSLNRPTMFFGQTVHEQCPRLPHFDAG
EFAPSFESEEARKGWCLYELGCKGPVTMNNCPKIKFNQTNWPVDAGHPCI
GCSEPDFWDAMTPFYQN
Ligand information
Ligand ID
F3S
InChI
InChI=1S/3Fe.4S
InChIKey
FCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7
S1[Fe]2S[Fe]3[S]2[Fe]1S3
Formula
Fe3 S4
Name
FE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain
1ubo Chain S Residue 1003 [
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Receptor-Ligand Complex Structure
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PDB
1ubo
Structural Studies of the Carbon Monoxide Complex of [NiFe]hydrogenase from Desulfovibrio vulgaris Miyazaki F: Suggestion for the Initial Activation Site for Dihydrogen
Resolution
1.35 Å
Binding residue
(original residue number in PDB)
N229 C231 F236 W241 P242 C249 I250 C252
Binding residue
(residue number reindexed from 1)
N229 C231 F236 W241 P242 C249 I250 C252
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
C222 C231
Catalytic site (residue number reindexed from 1)
C222 C231
Enzyme Commision number
1.12.2.1
: cytochrome-c3 hydrogenase.
Gene Ontology
Molecular Function
GO:0008901
ferredoxin hydrogenase activity
GO:0009055
electron transfer activity
GO:0016491
oxidoreductase activity
GO:0046872
metal ion binding
GO:0047806
cytochrome-c3 hydrogenase activity
GO:0051536
iron-sulfur cluster binding
GO:0051538
3 iron, 4 sulfur cluster binding
GO:0051539
4 iron, 4 sulfur cluster binding
Biological Process
GO:0009061
anaerobic respiration
Cellular Component
GO:0009375
ferredoxin hydrogenase complex
GO:0016020
membrane
GO:0042597
periplasmic space
GO:0044569
[Ni-Fe] hydrogenase complex
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1ubo
,
PDBe:1ubo
,
PDBj:1ubo
PDBsum
1ubo
PubMed
12296727
UniProt
P21853
|PHNS_NITV9 Periplasmic [NiFe] hydrogenase small subunit (Gene Name=hydA)
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