Structure of PDB 6kjl Chain A Binding Site BS02

Receptor Information

>6kjl Chain A (length=328) Species: 98930 (Bacillus sp. 41M-1)

MAITSNEIGTHDGYDYEFWKDSGGSGSMTLNSGGTFSAQWSNVNNILFRK
GKKFDETQTHQQIGNMSINYGATYNPNGNSYLTVYGWTVDPLVEFYIVDS
WGTWRPPGGTPKGTINVDGGTYQIYETTRYNQPSIKGTATFQQYWSVRTS
KRTSGTISVSEHFRAWESLGMNMGNMYEVALTVEGYQSSGSANVYSNTLT
IGGQSGGEQATRVEAESMTKGGPYTSNITSPFNGVALYANGDNVSFNHSF
TKANSSFSLRGASNNSNMARVDLRIGGQNRGTFYFGDQYPAVYTINNINH
GIGNQLVELIVTADDGTWDAYLDYLEIR

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 6kjl Chain A Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6kjl Increase in the thermostability of GH11 xylanase XynJ from Bacillus sp. strain 41M-1 using site saturation mutagenesis.
• Resolution: 2.45 Å
• Binding residue (original residue number in PDB): Y237 D313 W317 D318
• Binding residue (residue number reindexed from 1): Y238 D314 W318 D319
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): N44 Y84 E93 Y95 E183
• Catalytic site (residue number reindexed from 1): N45 Y85 E94 Y96 E184
• 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:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0030246 carbohydrate binding
• GO:0031176 endo-1,4-beta-xylanase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0045493 xylan catabolic process

External links

• PDB: RCSB:6kjl, PDBe:6kjl, PDBj:6kjl
• PDBsum: 6kjl
• PubMed: 31421720
• UniProt: Q9RC94