Structure of PDB 4awy Chain B Binding Site BS04

Receptor Information
>4awy Chain B (length=270) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASRGCADDAGWNDPAMPLKVYGNTWYVGTCGISALLVTSDAGHILVDAAT
PQAGPQILANIRALGFRPEDVRAIVFSHEHFDHAGSLAELQKATGAPVYA
RAPAIDTLKRGLPDRTDPQFEVAEPVAPVANIVTLADDGVVSVGPLALTA
VASPGHTPGGTSWTWRSCEGDDCRQMVYADSLTAISDDVFRYSDDAAHPG
YLAAFRNTLARVAALDCDILVTPHPSASGLWNRIGPRAAAPLMDTTACRR
YAQGARQRLEKRLAEEAATS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4awy Chain B Residue 3231 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4awy Crystal Structure of the Mobile Metallo-Beta-Lactamase Aim-1 from Pseudomonas Aeruginosa: Insights Into Antibiotic Binding and the Role of Gln157
Resolution1.6 Å
Binding residue
(original residue number in PDB)		S221 P262 H263
Binding residue
(residue number reindexed from 1)		S181 P223 H224
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links