Structure of PDB 6cgy Chain A Binding Site BS04

Receptor Information
>6cgy Chain A (length=276) Species: 1356854 (Alicyclobacillus acidoterrestris ATCC 49025) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQPKLYVMDNGRMRMDKNWMIAMHNPATIANPNAPTEFIEFPIYTVLIDH
PEGKILFDTSCNPDSMGAQGRWGEATQSMFPWTASEECYLHNRLEQLKVR
PEDIKFVIASHLHLDHAGCLEMFTNATIIVHEDEFSGALQTYARNQTEGA
YIWGDIDAWIKNNLNWRTIKRDEDNIVLAEGIKILNFGSGHAWGMLGLHV
QLPEKGGIILASDAVYSAESYGPPIKPPGIIYDSLGFVRSVEKIKRIAKE
TNSEVWFGHDSEQFKRFRKSTEGYYE
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain6cgy Chain A Residue 305 [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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PDB6cgy Structural and Biochemical Characterization of AaL, a Quorum Quenching Lactonase with Unusual Kinetic Properties.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H120 D122 H123 H198 D220 Y223 H266
Binding residue
(residue number reindexed from 1)		H113 D115 H116 H191 D213 Y216 H259
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.81: quorum-quenching N-acyl-homoserine lactonase.
External links