Structure of PDB 2o1b Chain A Binding Site BS01

Receptor Information
>2o1b Chain A (length=376) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISNKLANIPDSYFGEHGPLPLINMAVGIPDGPTPQGIIDHFQKALTIPEN
QKYGAFHGKEAFKQAIVDFYQRQYNVTLDKEDEVCILYGTKNGLVAVPTC
VINPGDYVLLPDPGYTDYLAGVLLADGKPVPLNLEPPHYLPDWSKVDSQI
IDKTKLIYLTYPNNPTGSTATKEVFDEAIAKFKGTDTKIVHDFAYGAFGF
DAKNPSILASENGKDVAIEIYSLSKGYNMSGFRVGFAVGNKDMIQALKKY
QTHTNAGMFGALQDAAIYALNHYDDFLEEQSNVFKTRRDRFEAMLAKADL
PFVHAKGGIYVWLETPPGYDSEQFEQFLVQEKSILVAPGKPFGENGNRYV
RISLALDDQKLDEAAIRLTELAYLYE
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 chain2o1b Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2o1b Structure of aminotransferase from Staphylococcus aureus
Resolution1.95 Å
Binding residue
(original residue number in PDB)		T98 K99 Y123 N172 D200 A202 Y203 S230 S232 K233 R241
Binding residue
(residue number reindexed from 1)		T90 K91 Y115 N164 D192 A194 Y195 S222 S224 K225 R233
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y123 D200 A202 K233
Catalytic site (residue number reindexed from 1) Y115 D192 A194 K225
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2o1b, PDBe:2o1b, PDBj:2o1b
PDBsum2o1b
PubMed
UniProtQ2FV61

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