Structure of PDB 8aie Chain A Binding Site BS01

Receptor Information
>8aie 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
DHLFSSSRYFVIFEEIRKPDPILYEKGVALHPINAERYLPSTKSINYMLS
FTGQRDSKGAYEILYCPEGEIVEGSHSTFFLIKNGHLITAPTSRALSGTT
RQIVLELARRGNIQVEERCPLLTELPEAEEAFITGTVKELLPVVRIGDQI
IGNGVPGKLTKHLHQVYLSSIVEWLE
Ligand information
Ligand IDLCS
InChIInChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,15H,3-5H2,1H3,(H,14,16)(H2,17,18,19)/b13-9+
InChIKeyKFCQHWOGBVCKHR-UKTHLTGXSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C2/C(=N/Cc1c(cnc(c1O)C)COP(=O)(O)O)CON2
OpenEye OEToolkits 1.7.2Cc1c(c(c(cn1)COP(=O)(O)O)CN=C2CONC2=O)O
CACTVS 3.370Cc1ncc(CO[P](O)(O)=O)c(CN=C2CONC2=O)c1O
OpenEye OEToolkits 1.7.2Cc1c(c(c(cn1)COP(=O)(O)O)C/N=C/2\CONC2=O)O
FormulaC11 H14 N3 O7 P
Name[5-hydroxy-6-methyl-4-({[(4E)-3-oxo-1,2-oxazolidin-4-ylidene]amino}methyl)pyridin-3-yl]methyl dihydrogen phosphate
ChEMBL
DrugBankDB03787
ZINCZINC000103548283
PDB chain8aie 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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PDB8aie Crystal structure of D-amino acid aminotransferase from Aminobacterium colombiense complexed with D-cycloserine
Resolution1.9 Å
Binding residue
(original residue number in PDB)		T34 R51 K142 Y146 S174 H175 S176 T198 T199 G234 T235 V236 K237
Binding residue
(residue number reindexed from 1)		T35 R52 K143 Y147 S175 H176 S177 T199 T200 G235 T236 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:8aie, PDBe:8aie, PDBj:8aie
PDBsum8aie
PubMed
UniProtD5EHC5

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