MolNFT v1 · #115800 · protein

X-ray crystal structure of semet human SESTRIN2

5CUF · Sestrin-2: “X-ray crystal structure of semet human SESTRIN2”. X-ray diffraction, 20 pockets (best druggability 0.74). MolNFT v1 #115800 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5CUF
Type: protein
Length: 1,845 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sestrin-2
UniProt: P58004
Pockets: 20 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 65% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Sestrin-2	protein	368	65% helix, 1% strand	P58004
C, D	Sestrin-2	protein	370	64% helix, 1% strand	P58004
E	Sestrin-2	protein	369	64% helix, 1% strand	P58004

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	870	0.74	0.78	89	empty
2	64	0.71	0.97	17	empty
3	72	0.70	0.96	19	empty
4	67	0.70	0.96	19	empty
5	455	0.68	0.80	54	empty

Interfaces

6 interfaces between chains.

C–E · 899 Å² buried · 12 hydrogen bonds · protein-protein
D–E · 896 Å² buried · 12 hydrogen bonds · protein-protein
C–D · 891 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 503 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 357 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 55 modified (engineered).

Compared structures

5CUF · X-ray crystal structure of SeMet human Sestrin2 · the same entry in another collection · chain E against E, TM-score 1.00
P58004 · AlphaFold monomer V2.0 prediction for sestrin-2 (P58004) · a predicted model of the same protein · chain A 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 P58004
Elsewhere: RCSB PDB 5CUF · PDBe 5CUF · UniProt P58004

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