Structure of PDB 1wcb Chain H Binding Site BS01

Receptor Information
>1wcb Chain H (length=222) 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
ETVTCNVAHPASSTKVDKKIVP
Ligand information
Ligand IDPE1
InChIInChI=1S/C14H24N3O7P/c1-9-13(18)11(10(6-16-9)8-24-25(21,22)23)7-17-12(14(19)20)4-2-3-5-15/h6,12,17-18H,2-5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/t12-/m0/s1
InChIKeyGQMAOPRRHWJXFB-LBPRGKRZSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCCN
OpenEye OEToolkits 1.9.2Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCCCN)C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](CCCCN)C(O)=O)c1O
OpenEye OEToolkits 1.9.2Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCCCN)C(=O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CCCCN)C(O)=O)c1O
FormulaC14 H24 N3 O7 P
NameN~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-LYSINE;
PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE
ChEMBL
DrugBank
ZINCZINC000013527831
PDB chain1wcb Chain L Residue 1216 [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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PDB1wcb Structural Basis for D-Amino Acid Transamination by the Pyridoxal- 5' -Phosphate - Dependent Catalytic Antibody 15A9.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y33 R52 D95 Y100B
Binding residue
(residue number reindexed from 1)		Y33 R52 D101 Y108
Annotation score1
External links