Structure of PDB 8pny Chain A Binding Site BS01

Receptor Information
>8pny Chain A (length=278) Species: 138336 (Blastococcus saxobsidens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRSVAVWRDGAAVTVPAHQPVVTAFDLGLGRGDGIFESVAVVAGRTPHLA
AHLTRLTRSAALLGLPAPGDQAWMEMVAAVLADWPAALEGVCRLFLTRGL
GDGTPPTALALLAPVPADTLRQRAEGISVATLGLGVPADFRAGAPWLLGG
AKTLSYAVNMAAQRHAHDLGADDVVFTSLEGRLLEGPTSTVVWAAGGTLH
TPPVETGILPGTTQARLFTAAAADGWPTSVTPGTVDDLHAADAVWLLSGV
RGAAVVHTVDGVRRGDGDLSRRVRELLA
Ligand information
Ligand IDZXN
InChIInChI=1S/C14H16N3O5P/c1-10-14(18)13(8-16-17-12-5-3-2-4-6-12)11(7-15-10)9-22-23(19,20)21/h2-8,17-18H,9H2,1H3,(H2,19,20,21)/b16-8+
InChIKeyVZZGBIJWEDOPQL-LZYBPNLTSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/Nc2ccccc2)O
OpenEye OEToolkits 2.0.7Cc1c(c(c(cn1)COP(=O)(O)O)C=NNc2ccccc2)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=NNc2ccccc2)c1O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(/C=N/Nc2ccccc2)c1O
FormulaC14 H16 N3 O5 P
Name[6-methyl-5-oxidanyl-4-[(2-phenylhydrazinyl)methyl]pyridin-3-yl]methyl dihydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain8pny Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8pny Structural determinants of dual substrate recognition in the transaminase from Blastococcus saxobsidens specific to D-amino acids and R-amines
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F39 S41 R58 K155 Y159 E188 G189 P190 T191 S192 T193 L212 T215 T216 S251 G252
Binding residue
(residue number reindexed from 1)		F36 S38 R55 K152 Y156 E185 G186 P187 T188 S189 T190 L209 T212 T213 S248 G249
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0016829 lyase activity
Biological Process
GO:0019752 carboxylic acid metabolic process
GO:0046394 carboxylic acid biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8pny, PDBe:8pny, PDBj:8pny
PDBsum8pny
PubMed38003383
UniProtH6RQF3

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