MolNFT v1 · #31721 · protein

Crystal structure of an engineered uninhibited bacillus subtilis xylanase in free state

2B45 · Endo-1,4-beta-xylanase a: “Crystal structure of an engineered uninhibited bacillus subtilis xylanase in free state”. X-ray diffraction, 1 pocket (best druggability 0.54). MolNFT v1 #31721 on GenesisL1: 3D structure, binding sites…

PDB: 2B45
Type: protein
Length: 185 residues
Chains: 1
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: P18429
Pockets: 1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 64% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	Endo-1,4-beta-xylanase a (EC 3.2.1.8)	protein	185	5% helix, 64% strand	P18429

Ligands and binding sites

EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains X

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	207	0.54	0.78	25	EPE

Compared structures

2B45 · Crystal structure of an engineered uninhibited Bacillus subtilis xylanase in free state · the same entry in another collection · chain X against X, TM-score 1.00
P18429 · AlphaFold monomer V2.0 prediction for endo-1,4-beta-xylanase a (P18429) · a predicted model of the same protein · chain X against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P18429
Elsewhere: RCSB PDB 2B45 · PDBe 2B45 · UniProt P18429

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