MolNFT v1 · #85978 · protein

Tubr from bacillus megaterium PBM400

4ASN: “Tubr from bacillus megaterium PBM400”. X-ray diffraction, 2 pockets (best druggability 0.60). MolNFT v1 #85978 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4ASN
Type: protein
Length: 270 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tubr
UniProt: Q848W2
Pockets: 2 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 11% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Tubr	protein	90	56% helix, 11% strand	Q848W2

Pockets

2 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	476	0.60	0.74	51	empty
2	115	0.44	0.78	19	empty

Interfaces

3 interfaces between chains.

A–B · 616 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 410 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 28 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

4ASN · TubR from Bacillus megaterium pBM400 · the same entry in another collection · chain A against A, TM-score 1.00
Q848W2 · AlphaFold monomer V2.0 prediction for DNA-binding protein tubr (Q848W2) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q848W2
Elsewhere: RCSB PDB 4ASN · PDBe 4ASN · UniProt Q848W2

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