Structure of PDB 4kib Chain B Binding Site BS03

Receptor Information
>4kib Chain B (length=335) Species: 1912 (Streptomyces hygroscopicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEVSEAQARRAVADIFNSTLASSAIGAAWELGALDELRENGKLDVSDFAV
RHDLHEPAVVGMFTALASVGIVRREGATVVVGPYFDEANHHRSLFHWLNQ
GSGELFRRMPQVLPNENRTGKFYQRDAGAISYACREISERYFDPAFWAAV
DGLGYTPTTVADLGSGSGERLIQIARRFPGVRGLGVDIADGAIAMAEKEV
AAKGFGDQISFVRGDARTIDQVSARGEFAEVDLLTCFMMGHDFWPRENCV
QTLRKLRAAFPNVRRFLLGDATRTVGIPDRELPVFTLGFEFGHDMMGVYL
PTLDEWDGVFEEGGWRCVKKHAIDSLSVSVVFELE
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4kib 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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PDB4kib Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Resolution2.0 Å
Binding residue
(original residue number in PDB)
H243 H295
Binding residue
(residue number reindexed from 1)
H241 H293
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.281: phenylpyruvate C(3)-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
Biological Process
GO:0009058 biosynthetic process
GO:0017000 antibiotic biosynthetic process
GO:0032259 methylation

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Molecular Function

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Biological Process
External links
PDB RCSB:4kib, PDBe:4kib, PDBj:4kib
PDBsum4kib
PubMed24914966
UniProtQ643C8|MPPJ_STRHY Phenylpyruvate C(3)-methyltransferase (Gene Name=mppJ)

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