Structure of PDB 7uus Chain B Binding Site BS03

Receptor Information
>7uus Chain B (length=322) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASVLWFQGGACSGNTMSFLNADEPNVVDLIVDFGLDLLWHPSLGLELGNN
AQKVFWDCAKGERPLDIFVFEGTVIEAPNGTGQMDMFAGRPMKDWVTDLA
GAAQIVVAIGDCACFGGIPAMEPNPSGSTGLQFHKREKGGFLGPDFRSKM
GLPVINVPGCPAHPDWITQILVALATGRAGDITLDDLHRPETFFKTFTQT
GCTRVQFFEYKQSTLSFGEGTRTGCLFYEFGCRGPMTHSPCNRILWNRQS
SKTRAGMPCLGCTEPEFPHFDLAPGTVFKTQKVSGMIPKEVPEGTDHLTY
MGLAAAARIAAPQWSKEDMFVV
Ligand information
Ligand IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7uus Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7uus Structural basis for bacterial energy extraction from atmospheric hydrogen.
Resolution8.0 Å
Binding residue
(original residue number in PDB)		T199 C242 W247 K253 C260 L261 G262 C263 T264
Binding residue
(residue number reindexed from 1)		T198 C241 W246 K252 C259 L260 G261 C262 T263
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.99.6: hydrogenase (acceptor).
Gene Ontology
Molecular Function
GO:0008901 ferredoxin hydrogenase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0033748 hydrogenase (acceptor) activity
GO:0046872 metal ion binding
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: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:7uus, PDBe:7uus, PDBj:7uus
PDBsum7uus
PubMed36890228
UniProtA0QUM6

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