Structure of PDB 7nwq Chain AAA Binding Site BS04

Receptor Information
>7nwq Chain AAA (length=195) Species: 632335 (Caldicellulosiruptor acetigenus I77R1B) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRIYVSYGSPVIDGEVDDIWNNVEWNIPRIYSATTQTNAKFKLMWDDNAL
YVLAEVYDPVLNSANSTPYQQDSVEIFLDENFDRAISYQSDDLHYRVNYN
NFKTTDAGDILRFYTKTKLLPDGYRVEARIALSKKPINGTIMGFEFQVNE
ADSSARRVATINMFDNTGNAWQNPSLFGEIKLKGRSDNAVVPINP
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 chain7nwq Chain AAA Residue 319 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7nwq Structural and Functional Analysis of a Multimodular Hyperthermostable Xylanase-Glucuronoyl Esterase from Caldicellulosiruptor kristjansonii .
Resolution2.231 Å
Binding residue
(original residue number in PDB)		D99 D103 D111 D112
Binding residue
(residue number reindexed from 1)		D79 D83 D91 D92
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0030246 carbohydrate binding
Biological Process
GO:0016052 carbohydrate catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7nwq, PDBe:7nwq, PDBj:7nwq
PDBsum7nwq
PubMed34180241
UniProtE4S6E9

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