Structure of PDB 1yqs Chain A Binding Site BS01

Receptor Information
>1yqs Chain A (length=345) Species: 31952 (Streptomyces sp. R61) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPAPDDTGLQAVLHTALSQGAPGAMVRVDDNGTIHQLSEGVADRATGRAI
TTTDRFRVGSVTKSFSAVVLLQLVDEGKLDLDASVNTYLPGLLPDDRITV
RQVMSHRSGLYDYTNDMFAQTVPGFESVRNKVFSYQDLITLSLKHGVTNA
PGAAYSYSNTNFVVAGMLIEKLTGHSVATEYQNRIFTPLNLTDTFYVHPD
TVIPGTHANGYLTPDEAGGALVDSTEQTVSWAQSAGAVISSTQDLDTFFS
ALMSGQLMSAAQLAQMQQWTTVNSTQGYGLGLRRRDLSCGISVYGHTGTV
QGYYTYAFASKDGKRSVTALANTSNNVNVLNTMARTLESAFCGKP
Ligand information
Ligand IDBSA
InChIInChI=1S/C9H11NO4S/c11-9(8-4-2-1-3-5-8)10-6-7-15(12,13)14/h1-5H,6-7H2,(H,10,11)(H,12,13,14)
InChIKeyABUKAMCDAHVPSR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)NCCS(=O)(=O)O
CACTVS 3.341O[S](=O)(=O)CCNC(=O)c1ccccc1
ACDLabs 10.04O=C(NCCS(=O)(=O)O)c1ccccc1
FormulaC9 H11 N O4 S
Name2-(BENZOYLAMINO)ETHANESULFONIC ACID
ChEMBL
DrugBank
ZINCZINC000006474629
PDB chain1yqs Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1yqs Inactivation of Bacterial dd-Peptidase by beta-Sultams.
Resolution1.05 Å
Binding residue
(original residue number in PDB)		S62 Y159 R285 H298 T299 G300 T301 L332
Binding residue
(residue number reindexed from 1)		S60 Y157 R283 H296 T297 G298 T299 L330
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S62 K65 D114 T116 V130 Y159 N161 V165 T227 H298 G304
Catalytic site (residue number reindexed from 1) S60 K63 D112 T114 V128 Y157 N159 V163 T225 H296 G302
Enzyme Commision number 3.4.16.4: serine-type D-Ala-D-Ala carboxypeptidase.
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0009002 serine-type D-Ala-D-Ala carboxypeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0008360 regulation of cell shape
GO:0009252 peptidoglycan biosynthetic process
GO:0071555 cell wall organization
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1yqs, PDBe:1yqs, PDBj:1yqs
PDBsum1yqs
PubMed15909988
UniProtP15555|DAC_STRSR D-alanyl-D-alanine carboxypeptidase

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