MolNFT v1 · #82879 · protein

Crystal structure of a glycoside hydrolase

3W0K · Bifunctional ENDOMANNANASE/ENDOGLUCANASE: “Crystal structure of a glycoside hydrolase”. X-ray diffraction, 3 pockets (best druggability 0.74). MolNFT v1 #82879 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3W0K
Type: protein
Length: 655 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bifunctional ENDOMANNANASE/ENDOGLUCANASE
UniProt: D9J0D7
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bifunctional ENDOMANNANASE/ENDOGLUCANASE	protein	330	38% helix, 18% strand	D9J0D7
B	Bifunctional ENDOMANNANASE/ENDOGLUCANASE	protein	325	38% helix, 19% strand	D9J0D7

Ligands and binding sites

TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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	810	0.74	0.79	99	TRS
2	91	0.50	0.83	22	empty
3	86	0.48	0.82	23	empty

Interfaces

1 interface between chains.

A–B · 427 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3W0K · Crystal Structure of a glycoside hydrolase · 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 D9J0D7
Elsewhere: RCSB PDB 3W0K · PDBe 3W0K · UniProt D9J0D7

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