Structure of PDB 1zli Chain A Binding Site BS01

Receptor Information
>1zli Chain A (length=306) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGHSYEKYNNWETIEAWTQQVATENPALISRSVIGTTFEGRAIYLLKVGK
AGQNKPAIFMDCGFHAREWISPAFCQWFVREAVRTYGREIQVTELLNKLD
FYVLPVLNIDGYIYTWTKSRFWRKTRSTHTGSSCIGTDPNRNFDAGWCEI
GASRNPCDETYCGPAAESEKETKALADFIRNKLSSIKAYLTIHSYSQMMI
YPYSYAYKLGENNAELNALAKATVKELASLHGTKYTYGPGATTIYPAAGG
SDDWAYDQGIRYSFTFELRDTGRYGFLLPESQIRATCEETFLAIKYVASY
VLEHLY
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1zli Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zli The Three-Dimensional Structures of Tick Carboxypeptidase Inhibitor in Complex with A/B Carboxypeptidases Reveal a Novel Double-headed Binding Mode
Resolution2.09 Å
Binding residue
(original residue number in PDB)		H69 E72 H196
Binding residue
(residue number reindexed from 1)		H65 E68 H193
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

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Molecular Function
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Biological Process
External links
PDB RCSB:1zli, PDBe:1zli, PDBj:1zli
PDBsum1zli
PubMed15961103
UniProtP15086|CBPB1_HUMAN Carboxypeptidase B (Gene Name=CPB1)

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