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MolNFT v1 · #89957 · protein

Second native structure of xylanase A1 from paenibacillus sp. jdr-2

4E4P · Endo-1,4-beta-xylanase a: “Second native structure of xylanase A1 from paenibacillus sp. jdr-2”. X-ray diffraction, 2 ligands (MG, CL), 1 pocket (best druggability 0.29). MolNFT v1 #89957 on GenesisL1: 3D structure, binding sites…

PDB
4E4P
Type
protein
Length
586 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endo-1,4-beta-xylanase a
EC
3.2.1.8
UniProt
C6CRV0
Ligands
MG, CL
Pockets
1 · best druggability 0.29

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BEndo-1,4-beta-xylanase a (EC 3.2.1.8)protein29344% helix, 22% strandC6CRV0

Ligands and binding sites

  • MG · Magnesium ion · metal · 4 copies · chains A, B
  • CL · Chloride ion · ion · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1700.290.7415empty

Interfaces

1 interface between chains.

  • A–B · 59 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4E4P · Second native structure of Xylanase A1 from Paenibacillus sp. JDR-2 · the same entry in another collection · chain A against A, TM-score 1.00
  • C6CRV0 · AlphaFold monomer V2.0 prediction for endo-1,4-beta-xylanase a (C6CRV0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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