Structure of PDB 4kic Chain B Binding Site BS03

Receptor Information
>4kic Chain B (length=332) Species: 1912 (Streptomyces hygroscopicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEAQARRAVADIFNSTLASSAIGAAWELGALDELRENGKLDVSDFAVRHD
LHEPAVVGMFTALASVGIVRREGATVVVGPYFDEANHHRSLFHWLNQGSG
ELFRRMPQVLPNENRTGKFYQRDAGAISYACREISERYFDPAFWAAVDGL
GYTPTTVADLGSGSGERLIQIARRFPGVRGLGVDIADGAIAMAEKEVAAK
GFGDQISFVRGDARTIDQVSARGEFAEVDLLTCFMMGHDFWPRENCVQTL
RKLRAAFPNVRRFLLGDATRTVGIPDRELPVFTLGFEFGHDMMGVYLPTL
DEWDGVFEEGGWRCVKKHAIDSLSVSVVFELE
Ligand information
Ligand IDPPY
InChIInChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKeyBTNMPGBKDVTSJY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)Cc1ccccc1
ACDLabs 10.04O=C(C(=O)O)Cc1ccccc1
FormulaC9 H8 O3
Name3-PHENYLPYRUVIC ACID
ChEMBLCHEMBL1162488
DrugBankDB03884
ZINCZINC000000901485
PDB chain4kic Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4kic Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Resolution2.43 Å
Binding residue
(original residue number in PDB)		W99 R127 M240 H243 F287 F291 H295
Binding residue
(residue number reindexed from 1)		W94 R122 M235 H238 F282 F286 H290
Annotation score5
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
View graph for
Biological Process
External links
PDB RCSB:4kic, PDBe:4kic, PDBj:4kic
PDBsum4kic
PubMed24914966
UniProtQ643C8|MPPJ_STRHY Phenylpyruvate C(3)-methyltransferase (Gene Name=mppJ)

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