Structure of PDB 6f79 Chain A Binding Site BS06

Receptor Information
>6f79 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
ITFHTYSELIQYPYGYTYTDVPSDMTQDDFNVFKTMANTMAQTNGYTPQQ
ASDLYITDGDMTDWAYGQHKIFAFTFEMYPTSYNPGFYPPDEVIGRETSR
NKEAVLYVAEKADCPYSVIGKSC
Ligand information
Ligand ID0X9
InChIInChI=1S/C6H15N5O4S/c7-6(8)10-3-1-2-4(5(12)13)11-16(9,14)15/h4,11H,1-3H2,(H,12,13)(H4,7,8,10)(H2,9,14,15)/t4-/m0/s1
InChIKeyPBEOTCYEZLQJNW-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(NC(C(=O)O)CCCNC(=[N@H])N)N
OpenEye OEToolkits 1.7.6C(CC(C(=O)O)NS(=O)(=O)N)CNC(=N)N
CACTVS 3.370NC(=N)NCCC[CH](N[S](N)(=O)=O)C(O)=O
OpenEye OEToolkits 1.7.6[H]/N=C(\N)/NCCC[C@@H](C(=O)O)NS(=O)(=O)N
CACTVS 3.370NC(=N)NCCC[C@H](N[S](N)(=O)=O)C(O)=O
FormulaC6 H15 N5 O4 S
NameN~2~-sulfamoyl-L-arginine
ChEMBL
DrugBank
ZINCZINC000095920512
PDB chain6f79 Chain A Residue 407 [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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PDB6f79 Carboxypeptidase T mutant L211Q with Sulphamoil Arginine
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H69 E72 R129 N146 R147 H204 Q211 A251 Y255 T257 E277
Binding residue
(residue number reindexed from 1)		H69 E72 R129 N146 R147 H204 Q211 A251 Y255 T257 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6f79, PDBe:6f79, PDBj:6f79
PDBsum6f79
PubMed
UniProtP29068|CBPT_THEVU Carboxypeptidase T (Gene Name=cpt)

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