Structure of PDB 6qe7 Chain A Binding Site BS02

Receptor Information
>6qe7 Chain A (length=291) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMGLRGEYYNNMDFSRFQFVRIDPCIDFDWGEGTPDQSIGKDTYSVRW
TGKVEPRYSETYTFYTVTDDGVRLWVDGVLLIDKWKSQSATEHSEQIYLE
AGKKYDIKMEYYQHVRAASAKLMWSSKSQQKEIIPSSQLYPSDGPLPQKD
VNGLSAEYYGDAELKDKRFTRIDDAINFNWDKDFPVGELKDGKFSVRWVG
KIDTRYTEEYTFHTVANGGVRVWINNVLIIDNWQNQGKEAENSGKIELKA
GRQYDIKVEYCNYGEPAFIKLLWSSQRQKKEVVPSKNLFAD
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 chain6qe7 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6qe7 Distinctive ligand-binding specificities of tandem PA14 biomass-sensory elements from Clostridium thermocellum and Clostridium clariflavum.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		N29 D61 T62
Binding residue
(residue number reindexed from 1)		N12 D44 T45
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6qe7, PDBe:6qe7, PDBj:6qe7
PDBsum6qe7
PubMed31162722
UniProtA3DC75|RSGI3_ACET2 Anti-sigma-I factor RsgI3 (Gene Name=rsgI3)

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