Structure of PDB 4emy Chain B Binding Site BS01

Receptor Information
>4emy Chain B (length=409) Species: 525919 (Anaerococcus prevotii DSM 20548) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPMTIKRATWNNGPDLAFDINNKANAAIEKYGREAVINAALGTLLDDKGK
IIALPSVYDRLDEMDRSHIASYAPIEGEKDYRKIVIDTLFGPYKPEGYIS
AIATPGGTGAIRSAIFSYLDEGDPLICHDYYWAPYRKICEEFGRNFKTFE
FFTDDFAFNIDVYKEAIDEGIRDSDRIASLINSPGNNPTGYSLSDEEWDE
VITFLKEKAEDKDKKITLIVDVAYLEFAGDGDQQRKFFEKFSNLPRNLFV
VVAFSMSKSHTAYGLRSGAAVGISSSKEIIEEFEASLAHSARCNWSNGTH
AAQNILIELERAENKKIYEQELVDLRNMLKSRADVFVTAAKENKLTMIPY
FGGFFTFIPTDKAFDIVKDLEKENIFTIPSAKGIRVAICGVGEEKIPKLV
QRLAFYTNK
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 chain4emy Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4emy Crystal structure of aminotransferase from anaerococcus prevotii dsm 20548.
Resolution2.86 Å
Binding residue
(original residue number in PDB)		G106 G107 T108 W132 N182 N187 D221 Y224 S255 S257 K258 R266
Binding residue
(residue number reindexed from 1)		G106 G107 T108 W132 N182 N187 D221 Y224 S255 S257 K258 R266
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) W132 D221 A223 K258
Catalytic site (residue number reindexed from 1) W132 D221 A223 K258
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4emy, PDBe:4emy, PDBj:4emy
PDBsum4emy
PubMed
UniProtC7REB0

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