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BioLiP

Structure of PDB 1eap Chain A Binding Site BS01

Receptor Information
>1eap Chain A (length=213) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DIELTQSPSSLSASLGGKVTITCKASQDIKKYIGWYQHKPGKGPRLLIHY
TSTLLPGIPSRFRGSGSGRDYSFSISNLEGGDIATYYCLQYYNLRTFGGG
TKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKID
GSERAQGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTS
TSPIVKSFNRNEC
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 chain1eap Chain B Residue 222 [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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PDB1eap Crystal structure of a catalytic antibody with a serine protease active site.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Y36 L89 Y91 R96
Binding residue
(residue number reindexed from 1)		Y36 L89 Y91 R95
Annotation score1
External links

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