Structure of PDB 4kif Chain A Binding Site BS05

Receptor Information

>4kif Chain A (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 ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

4kif Chain A Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4kif Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Resolution	2.5 Å
Binding residue (original residue number in PDB)	E106 R127 D128
Binding residue (residue number reindexed from 1)	E104 R125 D126
Annotation score	1

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:4kif, PDBe:4kif, PDBj:4kif
PDBsum	4kif
PubMed	24914966
UniProt	Q643C8\|MPPJ_STRHY Phenylpyruvate C(3)-methyltransferase (Gene Name=mppJ)

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