Structure of PDB 1kwm Chain B Binding Site BS01

Receptor Information
>1kwm Chain B (length=402) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHGGEHFEGEKVFRVNVEDENHINIIRELASTTQIDFWKPDSVTQIKPHS
TVDFRVKAEDTVTVENVLKQNELQYKVLISNLRNVVEAQFDSRVRATGHS
YEKYNKWETIEAWTQQVATENPALISRSVIGTTFEGRAIYLLKVGKAGQN
KPAIFMDCGFHAREWISPAFCQWFVREAVRTYGREIQVTELLNKLDFYVL
PVLNIDGYIYTWTKSRFWRKTRSTHTGSSCIGTDPNRNFDAGWCEIGASR
NPCDETYCGPAAESEKETKALADFIRNKLSSIKAYLTIHSYSQMMIYPYS
YAYKLGENNAELNALAKATVKELASLHGTKYTYGPGATTIYPAAGGSDDW
AYDQGIRYSFTFELRDTGRYGFLLPESQIRATCEETFLAIKYVASYVLEH
LY
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 chain1kwm Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kwm Human procarboxypeptidase B: three-dimensional structure and implications for thrombin-activatable fibrinolysis inhibitor (TAFI).
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H69 E72 H196
Binding residue
(residue number reindexed from 1)		H161 E164 H289
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H69 E72 R127 H196 E270
Catalytic site (residue number reindexed from 1) H161 E164 R219 H289 E363
Enzyme Commision number 3.4.17.2: carboxypeptidase B.
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0004181 metallocarboxypeptidase activity
GO:0005515 protein binding
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0031410 cytoplasmic vesicle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1kwm, PDBe:1kwm, PDBj:1kwm
PDBsum1kwm
PubMed12162965
UniProtP15086|CBPB1_HUMAN Carboxypeptidase B (Gene Name=CPB1)

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