Structure of PDB 3t8q Chain A Binding Site BS01

Receptor Information
>3t8q Chain A (length=367) Species: 411684 (Hoeflea phototrophica DFL-43) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIADIETFANEFVCFVKVTTDSGETGWGQVAPYYADITAQVLHRQVAPY
ALGKPALDIDYLVDIIPEKEHKFPGSYLRRALGGLDTALWDLRGRLEGKP
VCELIGGTPGTVRAYGSSMKRDITPKDEAARLSRLRDRFGFDAFKFRIGA
ECGRGQDEWPGRTEEIVPTIRAAMDDSVALLVDANSCYGPEQAIEVGKML
EQNGISHYEEPCPYWEYEQTQQVTNALSIDVTGGEQDCELQNWRRMIEMK
AVDIVQPDICYLGGITRTLRVAEMAHKAGLPCTPHAANLSMVTLFTMHLL
RAIPNAGKYLEFSIEGEDYYPWQDDLFVASPYEIVDGKATVTDLPGWGVE
VSPTWLETSAHQISTWQ
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 chain3t8q Chain A Residue 369 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3t8q Crystal structure of mandelate racemase/muconate lactonizing enzyme family protein from Hoeflea phototrophica
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D183 E209
Binding residue
(residue number reindexed from 1)		D183 E209
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S118 K145 R147 D157 D183 N185 E209 G234 E235 D237 Q256 D258 H285 A286 A287 K308 E311
Catalytic site (residue number reindexed from 1) S118 K145 R147 D157 D183 N185 E209 G234 E235 D237 Q256 D258 H285 A286 A287 K308 E311
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0009063 amino acid catabolic process
GO:0016052 carbohydrate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3t8q, PDBe:3t8q, PDBj:3t8q
PDBsum3t8q
PubMed
UniProtA9D2J3

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