Structure of PDB 1a0q Chain L Binding Site BS02

Receptor Information
>1a0q Chain L (length=211) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IELTQSPSSLSASLGGKVTITCKASQDIKKYIGWYQHKPGKQPRLLIHYT
STLLPGIPSRFRGSGSGRDYSFSISNLEPEDIATYYCLQYYNLRTFGGGT
KLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYSKDINVKWKIDG
SERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTST
SPIVKSFNRNE
Ligand information
Ligand IDHEP
InChIInChI=1S/C15H22NO6P/c1-2-3-9-14(16-13(17)10-11-15(18)19)23(20,21)22-12-7-5-4-6-8-12/h4-8,14H,2-3,9-11H2,1H3,(H,16,17)(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeyFJQWWGCHPFSERW-CQSZACIVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCC(NC(=O)CCC(=O)O)P(=O)(O)Oc1ccccc1
CACTVS 3.341CCCC[CH](NC(=O)CCC(O)=O)[P](O)(=O)Oc1ccccc1
ACDLabs 10.04O=P(Oc1ccccc1)(O)C(NC(=O)CCC(=O)O)CCCC
CACTVS 3.341CCCC[C@H](NC(=O)CCC(O)=O)[P@](O)(=O)Oc1ccccc1
OpenEye OEToolkits 1.5.0CCCC[C@H](NC(=O)CCC(=O)O)[P@@](=O)(O)Oc1ccccc1
FormulaC15 H22 N O6 P
NamePHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE
ChEMBL
DrugBankDB07893
ZINCZINC000003874662
PDB chain1a0q Chain H Residue 214 [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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PDB1a0q A comparison of the crystallographic structures of two catalytic antibodies with esterase activity.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y36 L89 Y91 R96
Binding residue
(residue number reindexed from 1)		Y35 L88 Y90 R94
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=7.57,Ki=27nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0030183 B cell differentiation
Cellular Component
GO:0005576 extracellular region
GO:0005886 plasma membrane

View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1a0q, PDBe:1a0q, PDBj:1a0q
PDBsum1a0q
PubMed9753552
UniProtP01837|IGKC_MOUSE Immunoglobulin kappa constant (Gene Name=Igkc)

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