MolNFT v1 · #108267 · protein

Structure of the GH76 alpha-mannanase BT2949 from bacteroides thetaiotaomicron

4V1S · Alpha-1,6-mannanase: “Structure of the GH76 alpha-mannanase BT2949 from bacteroides thetaiotaomicron”. X-ray diffraction, 7 pockets (best druggability 0.61). MolNFT v1 #108267 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4V1S
Type: protein
Length: 718 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-1,6-mannanase
EC: 3.2.1.101
UniProt: Q8A3K5
Pockets: 7 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Alpha-1,6-mannanase (EC 3.2.1.101)	protein	359	61% helix, 10% strand	Q8A3K5

Ligands and binding sites

GOL · Glycerol · additive · 5 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	179	0.61	0.83	30	empty
2	212	0.54	0.78	29	empty
3	209	0.52	0.77	30	empty
4	158	0.46	0.76	25	GOL
5	140	0.45	0.76	24	GOL

Interfaces

1 interface between chains.

A–B · 707 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

4V1S · Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron · 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 Q8A3K5
Elsewhere: RCSB PDB 4V1S · PDBe 4V1S · UniProt Q8A3K5

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