MolNFT v1 · #179014 · protein

Crystal structure of native bovine arrestin 1

7JSM · S-arrestin: “Crystal structure of native bovine arrestin 1”. X-ray diffraction, 11 pockets (best druggability 0.84). MolNFT v1 #179014 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7JSM
Type: protein
Length: 1,497 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: S-arrestin
UniProt: P08168
Pockets: 11 · best druggability 0.84

Structure

x-ray diffraction · 4 distinct chains · 5% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	S-arrestin	protein	369	5% helix, 48% strand	P08168
B	S-arrestin	protein	383	5% helix, 48% strand	P08168
C	S-arrestin	protein	362	6% helix, 51% strand	P08168
D	S-arrestin	protein	383	5% helix, 48% strand	P08168

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	957	0.84	0.85	93	empty
2	874	0.82	0.85	75	empty
3	130	0.62	0.86	23	empty
4	77	0.56	0.87	23	empty
5	155	0.52	0.80	31	empty

Interfaces

5 interfaces between chains.

A–D · 1548 Å² buried · 16 hydrogen bonds · protein-protein
B–C · 1505 Å² buried · 17 hydrogen bonds · protein-protein
A–B · 654 Å² buried · 8 hydrogen bonds · protein-protein
C–D · 604 Å² buried · 12 hydrogen bonds · protein-protein
B–D · 11 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7JSM · Crystal structure of native bovine arrestin 1 · the same entry in another collection · chain D against D, TM-score 1.00
P08168 · AlphaFold monomer V2.0 prediction for S-arrestin (P08168) · a predicted model of the same protein · chain C against A, TM-score 0.93

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 P08168
Elsewhere: RCSB PDB 7JSM · PDBe 7JSM · UniProt P08168

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