Structure of PDB 3a4w Chain B Binding Site BS01

Receptor Information
>3a4w Chain B (length=301) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPNANPIPEHFFAPYIDMSLSVHKPLVEYAKLTGTKYFTLAFILYSSVYN
GPAWAGSIPLEKFVDEVRELREIGGEVIIAFGGAVGPYLCQQASTPEQLA
EWYIKVIDTYNATYLDFDIAAGIDADKLADALLIVQRERPWVKFSFTLPS
DPGIGLAGGYGIIETMAKKGVRVDRVNPMTMDYYWTPSNAENAIKVAENV
FRQLKQIYPEKSDEEIWKMIGLTPMIGVNDDKSVFTLEDAQQLVDWAIQH
KIGSLAFWSVDRDHPGPTGEVSPLHRGTNDPDWAFSHVFVKFMEAFGYTF
S
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3a4w Chain B Residue 718 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3a4w Kinetic and crystallographic analyses of the catalytic domain of chitinase from Pyrococcus furiosus- the role of conserved residues in the active site
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L495 C496 Y509
Binding residue
(residue number reindexed from 1)		L89 C90 Y103
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.14: chitinase.
External links