Structure of PDB 7nwq Chain AAA Binding Site BS03

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 318 [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)		V31 D33 E35 D37 E147
Binding residue
(residue number reindexed from 1)		V11 D13 E15 D17 E127
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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