Structure of PDB 3fv9 Chain A Binding Site BS01

Receptor Information
>3fv9 Chain A (length=363) Species: 89187 (Roseovarius nubinhibens ISM) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKITRIDIHRTDLPVRGHSYDATIVSIETDTGLTGWGESTPFGSTYIAAH
AGGTRAALELLAPAILGMDPRQHDRIWDRMRDTLKGHRDARAALDIACWD
IAAQAAGLPLCDMTGGRVAGPVPVISSIGGDTPEAMRAKVARHRAQGFKG
HSIKIGASEAEGGPALDAERITACLADRQPGEWYLADANNGLTVEHALRM
LSLLPPGLDIVLEAPCASWAETKSLRARCALPLLLDELIQTETDLIAAIR
DDLCDGVGLKVSKQGGITPMLRQRAIAAAAGMVMSVQDTVGSQISFAAIL
HLAQSTPRHLLRCALDTRAMTTAELAEIDAPLRDGGASAPSDPGLGLRVN
RDALGTPVKTFGD
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 chain3fv9 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3fv9 Crystal structure of putative mandelate racemase/muconatelactonizing enzyme from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D198 E224 D247
Binding residue
(residue number reindexed from 1)		D187 E213 D236
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S138 S163 K165 D198 N200 E224 D247 E248 G269 K271 Q298 D299 T300 C324 A325 L326
Catalytic site (residue number reindexed from 1) S127 S152 K154 D187 N189 E213 D236 E237 G258 K260 Q287 D288 T289 C313 A314 L315
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016854 racemase and epimerase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3fv9, PDBe:3fv9, PDBj:3fv9
PDBsum3fv9
PubMed
UniProtA3SNG0

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