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Crystal structure of OTUB1 in complex with ubiquitin variant

Analyse Crystal structure of OTUB1 in complex with ubiquitin variant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4I6L
Type: protein
Length: 292 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ubiquitin thioesterase OTUB1; Ubiquitin
EC: 3.4.19.12
UniProt: Q96FW1, P0CG48
Pockets: 2 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ubiquitin thioesterase OTUB1 (EC 3.4.19.12)	protein	217	59% helix, 14% strand	Q96FW1
B	Ubiquitin	protein	75	25% helix, 37% strand	P0CG48

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	176	0.50	0.77	33	empty
2	161	0.48	0.77	24	empty

Interfaces

1 interface between chains.

A–B · 840 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

4I6L · Crystal structure of OTUB1 in complex with ubiquitin variant · the same entry in another collection · chain A against A, TM-score 1.00
Q96FW1 · AlphaFold monomer V2.0 prediction for ubiquitin thioesterase OTUB1 (Q96FW1) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q96FW1
Every structure of UniProt P0CG48
Elsewhere: RCSB PDB 4I6L · PDBe 4I6L · UniProt Q96FW1 · UniProt P0CG48

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