Structure of PDB 5jsh Chain A Binding Site BS01

Receptor Information
>5jsh Chain A (length=283) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTLTGERPPVFWLQGQGCTGCSVTLLNSVHPSIADVLLKVISLEFHPTVM
AWEGEHAIEHMRKVAEKFKGKFFLVIEGSVPVEADGKYCIIGEANHHEIS
MVDALKEFGPNAAAVLAVGTCAAYGGIPAAEGSETGATAVSKFLGDNGIK
TPVVNIPGCPPHPDWIVGTVVLALDAIKKNGLEGGLAEVVKVLDSDGRPT
PFFGRNIHENCPYLDKYDEGVMSATFTDKVGCRYDLGCKGPMTMADCFER
KWNGGVNWCVQNAVCIGCVEPDFPDGKSPFYQA
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain5jsh Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jsh The direct role of selenocysteine in [NiFeSe] hydrogenase maturation and catalysis.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		H208 C211 Y213 L214 C232 R233 Y234 C238 P241
Binding residue
(residue number reindexed from 1)		H208 C211 Y213 L214 C232 R233 Y234 C238 P241
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C18 C21 C121 C159 H208 C211 C232 C238 C247 C259 C265 C268
Catalytic site (residue number reindexed from 1) C18 C21 C121 C159 H208 C211 C232 C238 C247 C259 C265 C268
Enzyme Commision number 1.12.2.1: cytochrome-c3 hydrogenase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
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:5jsh, PDBe:5jsh, PDBj:5jsh
PDBsum5jsh
PubMed28319099
UniProtQ72AS4

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