Structure of PDB 8ibl Chain B Binding Site BS01

Receptor Information
>8ibl Chain B (length=262) Species: 1852 (Saccharomonospora viridis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PNPYERGPDPTEDSIEAIRGPFSVATERVSSFASGFGGGTIYYPRETDEG
TFGAVAVAPGFTASQGSMSWYGERVASHGFIVFTIDTNTRLDAPGQRGRQ
LLAALDYLVERSDRKVRERLDPNRLAVMGHAMGGGGSLEATVMRPSLKAS
IPLTPWHLDKTWGQVQVPTFIIGAELDTIAPVSTHAKPFYESLPSSLPKA
YMELCGATHFAPNIPNTTIAKYVISWLKRFVDEDTRYSQFLCPNPTDRAI
CEYRSTCPYKLN
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 chain8ibl Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ibl Improvement of thermostability and activity of PET-degrading enzyme Cut190 towards a detailed understanding and application of the enzymatic reaction mechanism.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		S76 F77 A78 F81
Binding residue
(residue number reindexed from 1)		S31 F32 A33 F36
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.1.74: cutinase.
External links