Structure of PDB 8onn Chain A Binding Site BS01

Receptor Information
>8onn Chain A (length=276) Species: 81468 (Aminobacterium colombiense) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMNLCYIDGKFLPLEEAKLPVTDLIIQRGVGVFETISTHSRRPLMLTPHL
KRLEGSATASSIVMPATLDEMARIIREGIKKMGCETMVRPYITGGDSFGK
DHLFSSSRYFVIFAEIRKPDPILYEKGVALHPINAERYLPSTKSINYMLS
FTGQRDSKGAYEILYCPEGEIVEGSHSTFFLIKNGHLITAPTSRALSGTT
RQIVLELARRGNIQVEERCPLLTELPEAEEAFITGTVKELLPVVRIGDQI
IGNGVPGKLTKHLHQVYLSSIVEWLE
Ligand information
Ligand IDOCF
InChIInChI=1S/C11H15N2O8P/c1-7-11(16)9(5-13-20-3-2-10(14)15)8(4-12-7)6-21-22(17,18)19/h4-5,16H,2-3,6H2,1H3,(H,14,15)(H2,17,18,19)/b13-5+
InChIKeyWFKOVQOIGDESOJ-WLRTZDKTSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(\C=N\OCCC(O)=O)c1O
OpenEye OEToolkits 3.1.0.0Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/OCCC(=O)O)O
OpenEye OEToolkits 3.1.0.0Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCCC(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(C=NOCCC(O)=O)c1O
FormulaC11 H15 N2 O8 P
Name3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid;
PYRIDOXAMINE-5'-PHOSPHATE linked to 3-aminooxypropionic acid
ChEMBL
DrugBank
ZINC
PDB chain8onn Chain A Residue 301 [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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PDB8onn In search for structural targets for engineering d-amino acid transaminase: modulation of pH optimum and substrate specificity.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R51 R136 K142 Y146 H175 S176 L195 G197 T198 T199 G234 V236 K237
Binding residue
(residue number reindexed from 1)		R52 R137 K143 Y147 H176 S177 L196 G198 T199 T200 G235 V237 K238
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
Biological Process
GO:0019752 carboxylic acid metabolic process
GO:0046394 carboxylic acid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:8onn, PDBe:8onn, PDBj:8onn
PDBsum8onn
PubMed37548495
UniProtD5EHC5

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