MolNFT v1 · #108836 · protein

Crystal structure of SUMO1 in complex with daxx

4WJQ · Small ubiquitin-related modifier 1: “Crystal structure of SUMO1 in complex with daxx”. X-ray diffraction, 2 pockets (best druggability 0.36). MolNFT v1 #108836 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4WJQ
Type: protein
Length: 178 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Small ubiquitin-related modifier 1; Daxx
UniProt: P63165
Pockets: 2 · best druggability 0.36

Structure

x-ray diffraction · 4 distinct chains · 20% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Small ubiquitin-related modifier 1	protein	78	23% helix, 32% strand	P63165
B	Daxx	protein	12	0% helix, 25% strand	—
C	Small ubiquitin-related modifier 1	protein	76	24% helix, 36% strand	P63165
D	Daxx	protein	12	0% helix, 25% strand	—

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	110	0.36	0.74	21	empty
2	51	0.31	0.77	14	empty

Interfaces

4 interfaces between chains.

C–D · 670 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 474 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 236 Å² buried · 4 hydrogen bonds · protein-protein
B–C · 27 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4WJQ · Crystal Structure of SUMO1 in complex with Daxx · the same entry in another collection · chain A against A, TM-score 1.00
P63165 · AlphaFold monomer V2.0 prediction for small ubiquitin-related modifier 1 (P63165) · a predicted model of the same protein · chain C 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 P63165
Elsewhere: RCSB PDB 4WJQ · PDBe 4WJQ · UniProt P63165

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