Structure of PDB 3n6q Chain D Binding Site BS01

Receptor Information

>3n6q Chain D (length=315) Species: 668369 (Escherichia coli DH5[alpha]) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VWLANPERYGQMQYRYCGKSGLRLPALSLGLWHNFGHVNALESQRAILRK
AFDLGITHFDLANNYGPPPGSAEENFGRLLREDFAAYRDELIISTKAGYD
MWPGPYGSGGSRKYLLASLDQSLKRMGLEYVDIFYSHRVDENTPMEETAS
ALAHAVQSGKALYVGISSYSPERTQKMVELLREWKIPLLIHQPSYNLLNR
WVDKSGLLDTLQNNGVGCIAFTPLAQGLLTGKYLLTEANLNSLRLLNEMA
QQRGQSMAQMALSWLLKDDRVTSVLIGASRAEQLEENVQALNNLTFSTKE
LAQIDQHIADGELNL

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

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

Formula

Name

MAGNESIUM ION

PDB chain

3n6q Chain D Residue 402 [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	3n6q Macro-to-Micro Structural Proteomics: Native Source Proteins for High-Throughput Crystallization.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	H38 E75
Binding residue (residue number reindexed from 1)	H37 E74
Annotation score	4

Enzymatic activity

Enzyme Commision number

1.1.1.-

Gene Ontology

	Molecular Function
GO:0016491	oxidoreductase activity
GO:0016616	oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor

	Biological Process
GO:0006974	DNA damage response
GO:0051596	methylglyoxal catabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:3n6q, PDBe:3n6q, PDBj:3n6q
PDBsum	3n6q
PubMed	22393408
UniProt	Q46851\|GPR_ECOLI L-glyceraldehyde 3-phosphate reductase (Gene Name=gpr)

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