MolNFT v1 · #32637 · protein

The crystal structure of the complex between the uba and ubl domains of DSK2

2BWE: “The crystal structure of the complex between the uba and ubl domains of DSK2”. X-ray diffraction, 9 pockets (best druggability 0.55). MolNFT v1 #32637 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2BWE
Type: protein
Length: 1,047 residues
Chains: 21
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DSK2
UniProt: P48510
Pockets: 9 · best druggability 0.55

Structure

x-ray diffraction · 9 distinct chains · 53% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E, G, J, L, N, O, R	DSK2	protein	46	67% helix, 0% strand	P48510
B	DSK2	protein	48	65% helix, 0% strand	P48510
C	DSK2	protein	48	65% helix, 0% strand	P48510
D, Q	DSK2	protein	47	66% helix, 0% strand	P48510
F, H, I, M	DSK2	protein	45	67% helix, 0% strand	P48510
K	DSK2	protein	47	66% helix, 0% strand	P48510
P	DSK2	protein	44	68% helix, 0% strand	P48510
S, T	DSK2	protein	73	22% helix, 40% strand	P48510
U	DSK2	protein	72	22% helix, 38% strand	P48510

Pockets

9 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	290	0.55	0.76	39	empty
2	332	0.53	0.74	32	empty
3	242	0.51	0.76	35	empty
4	145	0.47	0.77	20	empty
5	124	0.42	0.76	20	empty

Interfaces

31 interfaces between chains.

C–D · 586 Å² buried · 4 hydrogen bonds · protein-protein
E–F · 584 Å² buried · 6 hydrogen bonds · protein-protein
Q–R · 583 Å² buried · 10 hydrogen bonds · protein-protein
N–O · 583 Å² buried · 7 hydrogen bonds · protein-protein
G–H · 582 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

2BWE · The crystal structure of the complex between the UBA and UBL domains of Dsk2 · the same entry in another collection · chain K against K, 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 P48510
Elsewhere: RCSB PDB 2BWE · PDBe 2BWE · UniProt P48510

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