Structure of PDB 7nwo Chain AAA Binding Site BS02

Receptor Information
>7nwo Chain AAA (length=191) 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
ADSSARRVATINMFDNTGNAWQNPSLFGEIKLKGRSDNINP
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 chain7nwo Chain AAA Residue 315 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7nwo Structural and Functional Analysis of a Multimodular Hyperthermostable Xylanase-Glucuronoyl Esterase from Caldicellulosiruptor kristjansonii .
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D78 V80 D92 E170 A171
Binding residue
(residue number reindexed from 1)		D58 V60 D72 E150 A151
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7nwo, PDBe:7nwo, PDBj:7nwo
PDBsum7nwo
PubMed34180241
UniProtE4S6E9

[Back to BioLiP]