Structure of PDB 3dwc Chain B Binding Site BS02

Receptor Information
>3dwc Chain B (length=504) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMKPYKELERVFTKLYRYGHMLLLADWDSHTMMPCKGSDARGAAMAELQL
HMHDTITAPKIRALIEEAEKSVGDLEKLQRANLREMRRAWELENLLPEEF
VERKTVLTTKAHQVWKTCREKNDFAGFLPTLKELIALFREEGKLRAGNSG
KHPYEALVDIYEPGMTLQRLDEIFGNVRSWLPELLKEVQEKQKALGETVL
EPKGPFPVSKQEALCRFFMDVWKFDFDGGRLDVSAHPFCGNSKEDVRITT
KYTETEFVTSLLGVIHETGHAKYEQNCGPKGFETQPVCMARSLGVHEGQS
LFAEMQIGRSGAFMEFLAPRLVEYFGDQPAFTSSNMKRVIQRVSPGLIRI
DADELCYPLHVMLRYEIERDLMDGNIEAEEVPRVWNEKMKSYLGLETLGN
DKEGCLQDVHWSGGMFGYFPTYSLGAMVAAQLMSCVRRELGEEVVDDCIR
KGDLGKILAKQNEKIWQHGSSLTTDELLRQATGETLNPEHYRRHLERRYR
DDRG
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain3dwc Chain B Residue 999 [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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PDB3dwc The molecular analysis of Trypanosoma cruzi metallocarboxypeptidase 1 provides insight into fold and substrate specificity
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H265 H269 E296 S299
Binding residue
(residue number reindexed from 1)		H266 H270 E297 S300
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.17.19: carboxypeptidase Taq.
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0004181 metallocarboxypeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3dwc, PDBe:3dwc, PDBj:3dwc
PDBsum3dwc
PubMed18793339
UniProtQ6ZXC0

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