Structure of PDB 4m7s Chain A Binding Site BS02

Receptor Information
>4m7s Chain A (length=214) Species: 1397 (Niallia circulans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDKLFSMIEVEVNSQCNRTCWYCPNSVTGEMDPALYKTLMEQLSSLDFAG
RISFHFYGEPLLCKNLDLFVGMTTEYIPRARPIIYTNGDFLTEKRLQTLT
ELGIQKFIVTQHAGADKEKVVYLDHSASKANMSCMVPSNLAVVTVLGNVL
PCFEDFNQKMVMGNIGEQHISDIWHNDKFTSFRKMLKEGHRGKSDLCKNC
NNVSVQTEEQYDYV
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 chain4m7s 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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PDB4m7s X-ray analysis of butirosin biosynthetic enzyme BtrN redefines structural motifs for AdoMet radical chemistry.
Resolution2.022 Å
Binding residue
(original residue number in PDB)		C16 R18 C20 C23 N25 Y62 N92 H117
Binding residue
(residue number reindexed from 1)		C16 R18 C20 C23 N25 Y57 N87 H112
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.99.38: 2-deoxy-scyllo-inosamine dehydrogenase (AdoMet-dependent).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0017000 antibiotic biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4m7s, PDBe:4m7s, PDBj:4m7s
PDBsum4m7s
PubMed24048029
UniProtQ8G907|BTRN_NIACI S-adenosyl-L-methionine-dependent 2-deoxy-scyllo-inosamine dehydrogenase (Gene Name=btrN)

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