MolNFT v1 · #58317 · protein

Diverse substrates recognition mechanism revealed by thermotoga maritima CEL5A structures in complex with mannotriose

3AZS · Endoglucanase: “Diverse substrates recognition mechanism revealed by thermotoga maritima CEL5A structures in complex with…”. X-ray diffraction, 2 ligands (BMA, MAN), 3 pockets (best druggability 0.80). MolNFT v1 #58317 on GenesisL1…

PDB: 3AZS
Type: protein
Length: 616 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endoglucanase
EC: 3.2.1.4
UniProt: Q9X273
Ligands: BMA, MAN
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Endoglucanase (EC 3.2.1.4)	protein	308	45% helix, 14% strand	Q9X273

Ligands and binding sites

BMA · beta-D-mannopyranose · sugar · 4 copies · chains A, B
MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	992	0.80	0.82	98	MAN, BMA
2	66	0.41	0.80	13	empty
3	91	0.36	0.75	17	empty

Interfaces

1 interface between chains.

A–B · 838 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

3AZS · Diverse Substrates Recognition Mechanism Revealed by Thermotoga maritima Cel5A Structures… · 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 Q9X273
Elsewhere: RCSB PDB 3AZS · PDBe 3AZS · UniProt Q9X273

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