Structure of PDB 4wcx Chain A Binding Site BS01

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 501 [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)		C90 N92 C94 C97 R100 K210
Binding residue
(residue number reindexed from 1)		C85 N87 C89 C92 R95 K205
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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