Structure of PDB 2bmk Chain B Binding Site BS01

Receptor Information
>2bmk Chain B (length=223) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVKLQESGGGLVQPGHSLRLSCATSGFTFTDYYMSWVRQPPGKALEWLGL
IRNKANGYTKEYSASVKGRFTISRDNSQSILYLQMNALRAEDSATYYCVR
DKGSYGNYEAWFAYWGQGTTVTVSSAKTTPPSVYPLAPGSQTNSMVTLGC
LVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPS
ETVTCNVAHPASSTKVDKKIVPR
Ligand information
Ligand IDPDD
InChIInChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1
InChIKeyWACJCHFWJNNBPR-SSDOTTSWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
CACTVS 3.341C[C@@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O)O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@H](C)C(=O)O)O
FormulaC11 H17 N2 O7 P
NameN-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE
ChEMBL
DrugBankDB01993
ZINCZINC000002047235
PDB chain2bmk Chain B Residue 1217 [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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PDB2bmk Structural basis for D-amino acid transamination by the pyridoxal 5'-phosphate-dependent catalytic antibody 15A9.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y33 R52 D95 K96
Binding residue
(residue number reindexed from 1)		Y33 R52 D101 K102
Annotation score1
Binding affinityMOAD: Kd=2.4uM
PDBbind-CN: -logKd/Ki=5.62,Kd=2.4uM
External links