Structure of PDB 1g2w Chain B Binding Site BS01

Receptor Information
>1g2w Chain B (length=277) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYTLWNDQIVKDEEVKIDKEDRGYQFGDGVYEVVKVYNGEMFTVNEHIDR
LYASAEKIRITIPYTKDKFHQLLHELVEKNELNTGHIYFQVTRGTSPRAH
QFPENTVKPVIIGYTKENPRPLENLEKGVKATFVEDIRWLRCDIKSLNLL
GAVLAKQEAHEKGCYEAILHRNNTVTSGSSSNVFGIKDGILYTHPANNMI
LKGITRDVVIACANEINMPVKEIPFTTHEALKMDELFVTSTTSEITPVIE
IDGKLIRDGKVGEWTRKLQKQFETKIP
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain1g2w Chain B Residue 585 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1g2w Effects of the E177K mutation in D-amino acid aminotransaminase. Studies on an essential coenzyme anchoring group that contributes to stereochemical fidelity
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R50 K445 S180 S181 L201 G203 I204 T205 T241
Binding residue
(residue number reindexed from 1)		R50 K145 S180 S181 L201 G203 I204 T205 T241
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y31 V33 K445 S177 L201
Catalytic site (residue number reindexed from 1) Y31 V33 K145 S177 L201
Enzyme Commision number 2.6.1.21: D-amino-acid transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0047810 D-alanine-2-oxoglutarate aminotransferase activity
Biological Process
GO:0019478 D-amino acid catabolic process
GO:0019752 carboxylic acid metabolic process
GO:0046394 carboxylic acid biosynthetic process
GO:0046416 D-amino acid metabolic process
GO:0046437 D-amino acid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1g2w, PDBe:1g2w, PDBj:1g2w
PDBsum1g2w
PubMed
UniProtP19938|DAAA_BACYM D-alanine aminotransferase (Gene Name=dat)

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