Structure of PDB 3gy1 Chain A Binding Site BS01

Receptor Information
>3gy1 Chain A (length=387) Species: 290402 (Clostridium beijerinckii NCIMB 8052) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLEPTIITDVLCYITKPDRHNLVVVKVETNKGIYGLGCATFQQRPKAVSL
VVSEYLKPILIGRDANNIEDLWQMMMVNSYWRNGPILNNAISGVDMALWD
IKGKLANMPLYQLFGGKSRDAIAAYTHAVADNLEDLYTEIDEIRKKGYQH
IRCQLGFGSYFDQDEYMRTTVSMFSSLREKYGYKFHILHDVHERLFPNQA
VQFAKDVEKYKPYFIEDILPPDQNEWLGQIRSQTSTPLATGELFNNPMEW
KSLIANRQVDFIRCHVSQIGGITPALKLGSLCAAFGVRIAWHTPSDITPI
GVAVNIHLNINLHNAAIQENIEINDNTRCVFSGIPEAKNGFFYPIESPGI
GVDIDENEIIKYPVEYRPHEWTQSRIPDGTIVTEGHH
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 chain3gy1 Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3gy1 CRYSTAL STRUCTURE OF putative mandelate racemase/muconate lactonizing protein from Clostridium beijerinckii NCIMB 8052
Resolution1.6 Å
Binding residue
(original residue number in PDB)		D207 E233 E259
Binding residue
(residue number reindexed from 1)		D190 E216 E242
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R153 Q155 D207 H209 E233 G258 E259 R280 H282 H309 E336
Catalytic site (residue number reindexed from 1) R152 Q154 D190 H192 E216 G241 E242 R263 H265 H292 E319
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0046872 metal ion binding
Biological Process
GO:0009063 amino acid catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3gy1, PDBe:3gy1, PDBj:3gy1
PDBsum3gy1
PubMed
UniProtA6M2W4|IMAND_CLOB8 D-galactonate dehydratase family member Cbei_4837 (Gene Name=Cbei_4837)

[Back to BioLiP]