Structure of PDB 6go2 Chain A Binding Site BS06

Receptor Information
>6go2 Chain A (length=323) Species: 2026 (Thermoactinomyces vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFPSYDSGYHNYNEMVNKINTVASNYPNIVKKFSIGKSYEGRELWAVKIS
DNVGTDENEPEVLYTALHHAREHLTVEMALYTLDLFTQNYNLDSRITNLV
NNREIYIVFNINPDGGEYDISSGSYKSWRKNRQPNSGSSYVGTDLNRNYG
YKWGCCGGSSGSPSSETYRGRSAFSAPETAAMRDFINSRVVGGKQQIKTL
ITFHTYSELILYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQ
ASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSR
NKEAVLYVAEKADCPYSVIGKSC
Ligand information
Ligand IDLU0
InChIInChI=1S/C6H14N2O4S/c1-4(2)3-5(6(9)10)8-13(7,11)12/h4-5,8H,3H2,1-2H3,(H,9,10)(H2,7,11,12)/t5-/m0/s1
InChIKeyWYJHWWUFTZEBIK-YFKPBYRVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)C[CH](N[S](N)(=O)=O)C(O)=O
OpenEye OEToolkits 2.0.6CC(C)C[C@@H](C(=O)O)NS(=O)(=O)N
OpenEye OEToolkits 2.0.6CC(C)CC(C(=O)O)NS(=O)(=O)N
CACTVS 3.385CC(C)C[C@H](N[S](N)(=O)=O)C(O)=O
FormulaC6 H14 N2 O4 S
NameSulphamoil Leucine
ChEMBL
DrugBank
ZINC
PDB chain6go2 Chain A Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6go2 Carboxypeptidase T with N-sulfamoyl-L-Leucine
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H69 E72 R129 N146 R147 H204 Y255 E277
Binding residue
(residue number reindexed from 1)		H69 E72 R129 N146 R147 H204 Y255 E277
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H69 E72 R129 H204 E277
Catalytic site (residue number reindexed from 1) H69 E72 R129 H204 E277
Enzyme Commision number 3.4.17.18: carboxypeptidase T.
Gene Ontology
Molecular Function
GO:0004181 metallocarboxypeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6go2, PDBe:6go2, PDBj:6go2
PDBsum6go2
PubMed
UniProtP29068|CBPT_THEVU Carboxypeptidase T (Gene Name=cpt)

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