Structure of PDB 8qfr Chain B Binding Site BS01

Receptor Information
>8qfr Chain B (length=144) Species: 1073253 (Thermocatellispora tengchongensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GELDLPERNLDRRELRDLVNELAAHPERWAEHVYASLHRDAYVDVWLLCW
RAEDDTGWHDHDISSGAVRVVAGALKECNPRIGGEHLETVVSEGESFSFG
PDHIHRLTGAVHGSVSIHAYSPPLWRLGQYSIDDSGVMRRVSVS
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 chain8qfr Chain B Residue 205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qfr Ergothioneine dioxygenase from Thermocatellispora tengchongensis in complex with nickel and substrate (anaerobic)
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R33 R36 S127
Binding residue
(residue number reindexed from 1)		R13 R16 S98
Annotation score4
External links