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The solution structure of the K63-UB2:TUIMS complex

Analyse The solution structure of the K63-UB2:TUIMS complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2RR9
Type: protein
Length: 198 residues
Chains: 3
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ubiquitin; Putative uncharacterized protein UIMC1
UniProt: P0CG48, C9JR12
Pockets: 2 · best druggability 0.55

Structure

solution nmr · 2 distinct chains · 47% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ubiquitin	protein	76	25% helix, 30% strand	P0CG48
C	Putative uncharacterized protein UIMC1	protein	46	83% helix, 0% strand	C9JR12

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	315	0.55	0.75	39	empty
2	98	0.37	0.75	18	empty

Interfaces

3 interfaces between chains.

B–C · 525 Å² buried · 5 hydrogen bonds · protein-protein
A–C · 499 Å² buried · 4 hydrogen bonds · protein-protein
A–B · 124 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 isopeptide (isopeptide).

Compared structures

2RR9 · The solution structure of the K63-Ub2:tUIMs complex · 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 P0CG48
Every structure of UniProt C9JR12
Elsewhere: RCSB PDB 2RR9 · PDBe 2RR9 · UniProt P0CG48 · UniProt C9JR12

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