MolNFT v1 · #121181 · protein

Crystal structure of the endo-beta-1,4-glucanase (XAC0030) from xanthomonas axonopodis pv. citri with the triple mutation HIS174TRP, TYR211ALA and LYS227ARG.

5HNN · Cellulase: “Crystal structure of the endo-beta-1,4-glucanase (XAC0030) from xanthomonas axonopodis pv. citri with the…”. X-ray diffraction, 7 pockets (best druggability 0.56). MolNFT v1 #121181 on GenesisL1: 3D structure, binding…

PDB: 5HNN
Type: protein
Length: 948 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cellulase
UniProt: Q8PRD3
Pockets: 7 · best druggability 0.56

Structure

x-ray diffraction · 3 distinct chains · 36% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cellulase	protein	315	35% helix, 18% strand	Q8PRD3
B	Cellulase	protein	314	36% helix, 18% strand	Q8PRD3
C	Cellulase	protein	319	35% helix, 18% strand	Q8PRD3

Ligands and binding sites

GOL · Glycerol · additive · 3 copies · chains A, B, C

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	258	0.56	0.78	27	empty
2	270	0.55	0.77	28	empty
3	320	0.54	0.74	43	empty
4	245	0.51	0.75	24	empty
5	151	0.42	0.74	34	GOL

Interfaces

2 interfaces between chains.

A–C · 439 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 412 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

5HNN · Crystal structure of the endo-beta-1,4-glucanase (Xac0030) from Xanthomonas axonopodis… · the same entry in another collection · chain A against A, TM-score 1.00

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 Q8PRD3
Elsewhere: RCSB PDB 5HNN · PDBe 5HNN · UniProt Q8PRD3

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