Structure of PDB 1sde Chain A Binding Site BS01

Receptor Information
>1sde 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 ID2PB
InChIInChI=1S/C7H7O5P/c8-7(9)5-3-1-2-4-6(5)12-13(10)11/h1-4,13H,(H,8,9)(H,10,11)/p-2
InChIKeyBTPFLIXGJHTRNG-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.341[O-]C(=O)c1ccccc1O[PH]([O-])=O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)[O-])O[P@H](=O)[O-]
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)[O-])OP(=O)[O-]
ACDLabs 10.04O=P([O-])Oc1ccccc1C([O-])=O
FormulaC7 H5 O5 P
Name2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE
ChEMBL
DrugBankDB04340
ZINC
PDB chain1sde 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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PDB1sde Toward better antibiotics: crystallographic studies of a novel class of DD-peptidase/beta-lactamase inhibitors
Resolution1.15 Å
Binding residue
(original residue number in PDB)		G61 S62 Y159 R285 T299 G300 T301
Binding residue
(residue number reindexed from 1)		G59 S60 Y157 R283 T297 G298 T299
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:1sde, PDBe:1sde, PDBj:1sde
PDBsum1sde
PubMed15170342
UniProtP15555|DAC_STRSR D-alanyl-D-alanine carboxypeptidase

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