Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Structure of PDB 1eap Chain B Binding Site BS01

Receptor Information
>1eap Chain B (length=216) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVQLQESGTELVKPGASVKISCKASGYISTDHAIHWVKQRPEQGLEWIGY
ISPGNGDIKYNEKFKVKATLTADQSSSTAYMQLNSLTSEDSAVYFCKRSY
YGSSYVDYWGQGTTLTVSSAKTTPPSVYPLAPGCGDTTGSSVTLGCLVKG
YFPESVTVTWNSGGLSSSVHTFPALLQSGLYTMSSSVTVPGGGWPSATVT
CSVAHPASSTTVDKKL
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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1eap Crystal structure of a catalytic antibody with a serine protease active site.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H35 K97 S99 Y100 Y101 G102 W114
Binding residue
(residue number reindexed from 1)		H35 K97 S99 Y100 Y101 G102 W109
Annotation score1
External links

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417