Structure of PDB 4wcx Chain A Binding Site BS02

Receptor Information
>4wcx Chain A (length=454) Species: 580331 (Thermoanaerobacter italicus Ab9) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADFINDEKIRQDLEKAKKATSKDALEIIEKAKNLKGITPEEAAVLLNVED
EDLLNEMFKVARYIKEEIYGNRIVIFAPLYVSNYCVNNCRYCGYRHSNEQ
QRKKLTMEEVRREVEILEEMGHKRLAVEAGEDPVNCPIDYIVDVIKTIYD
TKLKNGSIRRVNVNIAATTVENYKKLKKVGIGTYVLFQETYHRPTYEYMH
PQGPKHDYDYHLTAMDRAMEAGIDDVGLGVLYGLYDYKYETVAMLYHANH
LEEKFGVGPHTISVPRLRPALNISIDKFPYIVSDKDFKKLVAVIRMAVPY
TGMILSTREKPKFREEVISIGISQISAGSCTGVGGYHEEKPQFEVEDKRS
PNEILRTLCEQGYLPSYCTACYRMGRTGDRFMSFAKSGQIHNFCLPNAIL
TFKEFLIDYGDEKTKKIGEKAIAVNLEKIPSRTVREETKRRLTRIENGER
DLYF
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 chain4wcx Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wcx X-ray crystallographic and EPR spectroscopic analysis of HydG, a maturase in [FeFe]-hydrogenase H-cluster assembly.
Resolution1.59 Å
Binding residue
(original residue number in PDB)		C380 C383 C406
Binding residue
(residue number reindexed from 1)		C368 C371 C394
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0042364 water-soluble vitamin biosynthetic process
GO:0044272 sulfur compound biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4wcx, PDBe:4wcx, PDBj:4wcx
PDBsum4wcx
PubMed25605932
UniProtD3T7F1

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