Structure of PDB 3m7i Chain A Binding Site BS02

Receptor Information
>3m7i Chain A (length=632) Species: 192222 (Campylobacter jejuni subsp. jejuni NCTC 11168 = ATCC 700819) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIQILQEQANTLRFLSADMVQKANSGHPGAPLGLADILSVLSYHLKHNP
KNPTWLNRDRLVFSGGHASALLYSFLHLSGYDLSLEDLKNFRQLHSKTPG
HPEISTLGVEIATGPLGQGVANAVGFAMAAKKAQNLLGSDLIDHKIYCLC
GDGDLQEGISYEACSLAGLHKLDNFILIYDSNNISIEGDVGLAFNENVKM
RFEAQGFEVLSINGHDYEEINKALEQAKKSTKPCLIIAKTTIAKGAGELE
GSHKSHGAPLGEEVIKKAKEQAGFDPNISFHIPQASKIRFESAVELGDLE
EAKWKDKLEKSAKKELLERLLNPDFNKIAYPDFKGKDLATRDSNGEILNV
LAKNLEGFLGGSADLGPSNKTELHSMGDFVEGKNIHFGIREHAMAAINNA
FARYGIFLPFSATFFIFSEYLKPAARIAALMKIKHFFIFTHDSIGVGEDG
PTHQPIEQLSTFRAMPNFLTFRPADGVENVKAWQIALNADIPSAFVLSRQ
KLKALNEPVFGDVKNGAYLLKESKEAKFTLLASGSEVWLCLESANELEKQ
GFACNVVSMPCFELFEKQDKAYQERLLKGEVIGVEAAHSNELYKFCHKVY
GIESFGESGKDKDVFERFGFSVSKLVNFILSK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3m7i Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3m7i Crystal structure of transketolase in complex with thiamine diphosphate, ribose-5-phosphate(pyranose form) and magnesium ion
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D152 N182 I184
Binding residue
(residue number reindexed from 1)		D152 N182 I184
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H28 I242 H256 E391 H453
Catalytic site (residue number reindexed from 1) H28 I242 H256 E391 H453
Enzyme Commision number 2.2.1.1: transketolase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004802 transketolase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006098 pentose-phosphate shunt
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3m7i, PDBe:3m7i, PDBj:3m7i
PDBsum3m7i
PubMed
UniProtQ0P7Y3

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