MolNFT v1 · #109238 · protein

Crystal structure of BAG6-UBL4A dimerization domain

4WWR · Ubiquitin-like protein 4A: “Crystal structure of BAG6-UBL4A dimerization domain”. X-ray diffraction, 4 pockets (best druggability 0.76). MolNFT v1 #109238 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4WWR
Type: protein
Length: 393 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ubiquitin-like protein 4A; Large proline-rich protein BAG6
UniProt: P11441, P46379
Pockets: 4 · best druggability 0.76

Structure

x-ray diffraction · 6 distinct chains · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, F	Ubiquitin-like protein 4A	protein	46	80% helix, 0% strand	P11441
A, C	Large proline-rich protein BAG6	protein	53	72% helix, 0% strand	P46379
H	Ubiquitin-like protein 4A	protein	45	71% helix, 0% strand	P11441
G	Large proline-rich protein BAG6	protein	52	75% helix, 0% strand	P46379
D	Ubiquitin-like protein 4A	protein	46	74% helix, 0% strand	P11441
E	Large proline-rich protein BAG6	protein	52	67% helix, 0% strand	P46379

Pockets

4 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	985	0.76	0.79	94	empty
2	315	0.73	0.86	36	empty
3	284	0.64	0.81	31	empty
4	67	0.32	0.75	19	empty

Interfaces

17 interfaces between chains.

D–C · 1335 Å² buried · 12 hydrogen bonds · protein-protein
H–G · 1314 Å² buried · 14 hydrogen bonds · protein-protein
B–A · 1307 Å² buried · 10 hydrogen bonds · protein-protein
F–E · 1266 Å² buried · 8 hydrogen bonds · protein-protein
D–E · 317 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

4WWR · Crystal Structure of Bag6-Ubl4A Dimerization Domain · the same entry in another collection · chain E against E, TM-score 1.00
P46379 · AlphaFold monomer V2.0 prediction for large proline-rich protein BAG6 (P46379) · a predicted model of the same protein · chain G against A, TM-score 0.90
P11441 · AlphaFold monomer V2.0 prediction for ubiquitin-like protein 4A (P11441) · a predicted model of the same protein · chain B against A, TM-score 0.87

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 P11441
Every structure of UniProt P46379
Elsewhere: RCSB PDB 4WWR · PDBe 4WWR · UniProt P11441 · UniProt P46379

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