Structure of PDB 5b5l Chain A Binding Site BS01

Receptor Information
>5b5l Chain A (length=207) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVKVMLLGDAITEITCWRPLVWEQITSAGLAGSVDFVGSMNDLQPNCSRP
QGFDPDHEGHSGWQAYDIARNNIAGWVQNTKPDIVQFMLGTNDVNIGHRN
ADSIIGSYTIMLNAMRAANPRVKVIVDKIIPTSWSDATIEAVNTAIPGWV
QQQTTAESPVVIADCSRAAGFTNDMLRDDGVHPNSKGDQFIAGQIGPKLI
QLIKDVS
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 chain5b5l Chain A Residue 302 [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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PDB5b5l crystal structure of acetyl esterase mutant S10A with acetate ion
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D35 F36 D54 D56
Binding residue
(residue number reindexed from 1)		D35 F36 D54 D56
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links