Structure of PDB 3dwc Chain B Binding Site BS01

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 IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain3dwc Chain B Residue 701 [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)		K222 D452 G454
Binding residue
(residue number reindexed from 1)		K223 D453 G455
Annotation score5
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
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Biological Process
External links
PDB RCSB:3dwc, PDBe:3dwc, PDBj:3dwc
PDBsum3dwc
PubMed18793339
UniProtQ6ZXC0

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