Structure of PDB 8qwt Chain A Binding Site BS04

Receptor Information
>8qwt Chain A (length=331) Species: 68777 (Cyathus striatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTCPDGHVTANRACCALFPVVQNLQENLFDGGECGEEAHSALRLSFHDAI
GFSLNSNKGGGADGSILLFNATELTFHANGGIDDITSRQFPVFETTGLTP
GDFVHLAGAVGTANCPGAPRLQFMFGRPPPIAPAPDLTVPEPTDDVDAIL
ARFADAGFDASEVVALLSSHTIAAADVVDVTIPGTPFDSTVGTFDTQVFL
EVLLAGRSFPGNGSQPGEVLSPLAGEMRLQSDFVVSRDSRTACLWQAMVN
NQQLMVSSFAAAMAKLQVLGQNVNTMVDCSDVIPEPAPFAGPIKFPASFS
MADVEQACASTFPQIQTVAGPAPTVAPVPGS
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 chain8qwt Chain A Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qwt Structure-function characterization of two enzymes from novel subfamilies of manganese peroxidases secreted by the lignocellulose-degrading Agaricales fungi Agrocybe pediades and Cyathus striatus.
Resolution1.5 Å
Binding residue
(original residue number in PDB)
D48 G61 D63 S65
Binding residue
(residue number reindexed from 1)
D48 G61 D63 S65
Annotation score4
External links