Structure of PDB 3mn8 Chain A Binding Site BS02

Receptor Information
>3mn8 Chain A (length=383) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KEDESFLQQPHYASQEQLEDLFAGLEKAYPNQAKVHFLGRSLEGRNLLAL
QISRNTRSRNLLTPPVKYIANMHGDETVGRQLLVYMAQYLLGNHERISDL
GQLVNSTDIYLVPTMNPDGYALSQEGNCESLPNYVGRGNAANIDLNRDFP
DRLEAQSRQPETAALVNWIVSKPFVLSANFHGGAVVASYPYDNSLAHNEC
CEESLTPDDRVFKQLAHTYSDNHPIMRKGNNCNDSFSGGITNGAHWYELS
GGMQDFNYAFSNCFELTIELSCCKYPAASTLPQEWQRNKASLLQLLRQAH
IGIKGLVTDASGFPIADANVYVAGLEEKPMRTSKRGEYWRLLTPGLYSVH
ASAFGYQTSAPQQVRVTNDNQEALRLDFKLAPV
Ligand information
Ligand IDGEM
InChIInChI=1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1
InChIKeyVKVCLXDFOQQABP-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=N)NCCS[CH](CC(O)=O)C(O)=O
CACTVS 3.341NC(=N)NCCS[C@@H](CC(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(SCCNC(=[N@H])N)CC(=O)O
OpenEye OEToolkits 1.5.0C(CS[C@@H](CC(=O)O)C(=O)O)NC(=N)N
OpenEye OEToolkits 1.5.0C(CSC(CC(=O)O)C(=O)O)NC(=N)N
FormulaC7 H13 N3 O4 S
Name(2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID;
2-GUANIDINOETHYLTHIO)SUCCINIC ACID;
GUANIDINOETHYL MERCAPTOSUCCINIC ACID;
GEMSA
ChEMBL
DrugBankDB04489
ZINCZINC000002384679
PDB chain3mn8 Chain A Residue 601 [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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PDB3mn8 Structure-Function Analysis of the Short Splicing Variant Carboxypeptidase Encoded by Drosophila melanogaster silver.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H101 E104 R165 N174 R175 H217 D228 G279 W282 Y283 L285 E305
Binding residue
(residue number reindexed from 1)		H73 E76 R137 N146 R147 H181 D192 G243 W246 Y247 L249 E269
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.17,Ki=0.67uM
Enzymatic activity
Enzyme Commision number 3.4.17.22: metallocarboxypeptidase D.
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:3mn8, PDBe:3mn8, PDBj:3mn8
PDBsum3mn8
PubMed20600119
UniProtP42787|CBPD_DROME Carboxypeptidase D (Gene Name=svr)

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