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Crystal structure of TIMELESS_PAB domain native form

Analyse Crystal structure of TIMELESS_PAB domain native form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4XHT
Type: protein
Length: 369 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein timeless homolog
UniProt: Q9UNS1
Pockets: 6 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 55% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Protein timeless homolog	protein	94	52% helix, 5% strand	Q9UNS1
B	Protein timeless homolog	protein	92	58% helix, 5% strand	Q9UNS1
D	Protein timeless homolog	protein	89	56% helix, 6% strand	Q9UNS1

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	309	0.79	0.90	48	empty
2	438	0.71	0.81	37	empty
3	454	0.67	0.79	47	empty
4	54	0.59	0.92	17	empty
5	88	0.43	0.79	23	empty

Interfaces

5 interfaces between chains.

A–C · 713 Å² buried · 2 hydrogen bonds · protein-protein
A–B · 653 Å² buried · 11 hydrogen bonds · protein-protein
C–D · 626 Å² buried · 13 hydrogen bonds · protein-protein
A–D · 303 Å² buried · 2 hydrogen bonds · protein-protein
C–B · 290 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4XHT · Crystal structure of Timeless_PAB domain native form · the same entry in another collection · chain A against A, TM-score 1.00
Q9UNS1 · AlphaFold monomer V2.0 prediction for protein timeless homolog (Q9UNS1) · a predicted model of the same protein · chain D against A, TM-score 0.97

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 Q9UNS1
Elsewhere: RCSB PDB 4XHT · PDBe 4XHT · UniProt Q9UNS1

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