Structure of PDB 4m71 Chain B Binding Site BS04

Receptor Information
>4m71 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
ELFRRMPQVLPNENRTGKFYQLDAGAISYACREISERYFDPAFWAAVDGL
GYTPTTVADLGSGSGERLIQIARRFPGVRGLGVDIADGAIAMAEKEVAAK
GFGDQISFVRGDARTIDQVSARGEFAEVDLLTCFMMGHEFWPRENCVQTL
RKLRAAFPNVRRFLLGDATRTVGIPDRELPVFTLGFEFGHDMMGVYLPTL
DEWDGVFEEGGWRCVKKHAIDSLSVSVVFELE
Ligand information
Ligand IDHF2
InChIInChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
InChIKeyVOXXWSYKYCBWHO-MRVPVSSYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@H](C(=O)O)O
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(C(=O)O)O
ACDLabs 12.01O=C(O)C(O)Cc1ccccc1
CACTVS 3.370O[C@H](Cc1ccccc1)C(O)=O
CACTVS 3.370O[CH](Cc1ccccc1)C(O)=O
FormulaC9 H10 O3
Name(2R)-2-hydroxy-3-phenylpropanoic acid
ChEMBL
DrugBank
ZINCZINC000000388090
PDB chain4m71 Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4m71 Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Resolution2.21 Å
Binding residue
(original residue number in PDB)		D309 C319 V320 K321 K322
Binding residue
(residue number reindexed from 1)		D304 C314 V315 K316 K317
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:4m71, PDBe:4m71, PDBj:4m71
PDBsum4m71
PubMed24914966
UniProtQ643C8|MPPJ_STRHY Phenylpyruvate C(3)-methyltransferase (Gene Name=mppJ)

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