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 1zg8 Chain A Binding Site BS02

Receptor Information
>1zg8 Chain A (length=305) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGHSYEKYNNWETIEAWTKQVTSENPDLISRTAIGTTFLGNNIYLLKVGK
PGPNKPAIFMDCGFHAREWISHAFCQWFVREAVLTYGYESHMTEFLNKLD
FYVLPVLNIDGYIYTWTKNRMWRKTRSTNAGTTCIGTDPNRNFDAGWCTT
GASTDPCDETYCGSAAESEKETKALADFIRNNLSSIKAYLTIHSYSQMIL
YPYSYDYKLPENNAELNNLAKAAVKELATLYGTKYTYGPGATTIYPAAGG
SDDWAYDQGIKYSFTFELRDKGRYGFILPESQIQATCEETMLAIKYVTNY
VLGHL
Ligand information
Ligand IDL98
InChIInChI=1S/C10H13N3O2S/c11-10(12)13-7-3-1-2-6(4-7)8(5-16)9(14)15/h1-4,8,16H,5H2,(H,14,15)(H4,11,12,13)/t8-/m1/s1
InChIKeyYHBCRXAIIVZWEW-MRVPVSSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=N)Nc1cccc(c1)[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(c1cc(NC(=[N@H])N)ccc1)CS
OpenEye OEToolkits 1.5.0c1cc(cc(c1)NC(=N)N)[C@@H](CS)C(=O)O
CACTVS 3.341NC(=N)Nc1cccc(c1)[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(cc(c1)NC(=N)N)C(CS)C(=O)O
FormulaC10 H13 N3 O2 S
Name(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-SULFANYLPROPANOIC ACID;
2-(3-GUANIDINOPHENYL)-3-MERCAPTOPROPANOIC ACID
ChEMBL
DrugBankDB04723
ZINCZINC000016051731
PDB chain1zg8 Chain A Residue 401 [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]
PDB1zg8 Crystal structures of potent thiol-based inhibitors bound to carboxypeptidase b.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H69 E72 R127 N144 H196 L203 S207 Y248 D255 T268 E270
Binding residue
(residue number reindexed from 1)		H65 E68 R123 N140 H193 L200 S204 Y245 D252 T265 E267
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H69 E72 R127 H196 E270
Catalytic site (residue number reindexed from 1) H65 E68 R123 H193 E267
Enzyme Commision number 3.4.17.2: carboxypeptidase B.
Gene Ontology
Molecular Function
GO:0004181 metallocarboxypeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1zg8, PDBe:1zg8, PDBj:1zg8
PDBsum1zg8
PubMed15982000
UniProtP09955|CBPB1_PIG Carboxypeptidase B (Gene Name=CPB1)

[Back to BioLiP]

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