MolNFT v1 · #49216 · protein

From structure to function: insights into the catalytic substrate specificity and thermostability displayed by bacillus subtilis mannanase bcman

2QHA · Beta-1,4-mannanase: “From structure to function: insights into the catalytic substrate specificity and thermostability displayed…”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.61). MolNFT v1 #49216 on GenesisL1…

PDB: 2QHA
Type: protein
Length: 672 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-1,4-mannanase
EC: 3.2.1.78
UniProt: Q5PSP8
Ligands: ZN
Pockets: 4 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-1,4-mannanase (EC 3.2.1.78)	protein	336	36% helix, 19% strand	Q5PSP8

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · 5 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	380	0.61	0.77	32	GOL
2	319	0.61	0.78	43	empty
3	140	0.42	0.75	20	GOL
4	67	0.32	0.75	12	empty

Interfaces

1 interface between chains.

A–B · 338 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

2QHA · From Structure to Function: Insights into the Catalytic Substrate Specificity and… · 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 Q5PSP8
Elsewhere: RCSB PDB 2QHA · PDBe 2QHA · UniProt Q5PSP8

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