MolNFT v1 · #108477 · protein

Tetrameric BAP29 vded without disulfide bonds

4W7Z · B-cell receptor-associated protein 29: “Tetrameric BAP29 vded without disulfide bonds”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.53). MolNFT v1 #108477 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4W7Z
Type: protein
Length: 247 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: B-cell receptor-associated protein 29
UniProt: Q9UHQ4
Ligands: SO4
Pockets: 2 · best druggability 0.53

Structure

x-ray diffraction · 3 distinct chains · 94% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	B-cell receptor-associated protein 29	protein	64	92% helix, 0% strand	Q9UHQ4
C	B-cell receptor-associated protein 29	protein	59	95% helix, 0% strand	Q9UHQ4
D	B-cell receptor-associated protein 29	protein	60	95% helix, 0% strand	Q9UHQ4

Ligands and binding sites

SO4 · Sulfate ion · ion · 16 copies · chains A, C, B, D
ACT · Acetate ion · additive · chains C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

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	122	0.53	0.81	34	ACT
2	68	0.50	0.85	21	empty

Interfaces

6 interfaces between chains.

B–D · 1457 Å² buried · 19 hydrogen bonds · protein-protein
A–C · 1435 Å² buried · 17 hydrogen bonds · protein-protein
C–D · 1088 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 1041 Å² buried · 10 hydrogen bonds · protein-protein
B–C · 394 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4W7Z · Tetrameric BAP29 vDED without disulfide bonds · the same entry in another collection · chain D against D, TM-score 1.00
Q9UHQ4 · AlphaFold monomer V2.0 prediction for B-cell receptor-associated protein 29 (Q9UHQ4) · a predicted model of the same protein · chain D against A, TM-score 0.91

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 Q9UHQ4
Elsewhere: RCSB PDB 4W7Z · PDBe 4W7Z · UniProt Q9UHQ4

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