Structure of PDB 9azb Chain A Binding Site BS01

Receptor Information
>9azb Chain A (length=396) Species: 27334 (Penicillium expansum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTPFGKPMLKHFCMNPEYRNLNAATCGSWPKTVRDQWRRYLDDLEAQPDY
FSEVKQGPVIQEARREVAQLLHARVSECVFISNATTGIYTVLHNIPFDKD
DVIITFSTTYGAIDNAIASMAETQPFQTRKVTVDLPMRGEDIVARFEGMV
AQIKAEGLHPRLAVLETIVSIPAIRMPFESLVQACQREGVLSLVDGAHSI
GQFSLNLEVLQPDFFIMDCHKWLFVPRPCAALYVPERNQHYIRSTIPPSF
GFIPRDPLWSATDFETIFANVATQDNMPHMCIPTALKFRREVCGGEEAIY
QYLRVLAKEGGDRVAAILGTEVLDEEMRDCGIATVRLPLAGPAVHYLSMT
LAETHKTWLYLIDHGGYIWVRLCAQIYLDTSDFEWIGNVLKEICET
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 chain9azb Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9azb Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix
Resolution2.9 Å
Binding residue
(original residue number in PDB)		N98 A99 T100 Y125 S185 D210 A212 H213 D233 K236
Binding residue
(residue number reindexed from 1)		N83 A84 T85 Y110 S170 D195 A197 H198 D218 K221
Annotation score4
Gene Ontology
Molecular Function
GO:0008483 transaminase activity

View graph for
Molecular Function
External links
PDB RCSB:9azb, PDBe:9azb, PDBj:9azb
PDBsum9azb
PubMed39001849
UniProtA0A0A2J6G6

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