MolNFT v1 · #61941 · protein

Crystal structure of msrb

3E0O · Peptide methionine sulfoxide reductase msrb: “Crystal structure of msrb”. X-ray diffraction, 4 pockets (best druggability 0.67). MolNFT v1 #61941 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3E0O
Type: protein
Length: 844 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peptide methionine sulfoxide reductase msrb
EC: 1.8.4.12
UniProt: P54155
Pockets: 4 · best druggability 0.67

Structure

x-ray diffraction · 3 distinct chains · 21% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Peptide methionine sulfoxide reductase msrb (EC 1.8.4.12)	protein	142	23% helix, 27% strand	P54155
C, D	Peptide methionine sulfoxide reductase msrb (EC 1.8.4.12)	protein	139	20% helix, 28% strand	P54155
E, F	Peptide methionine sulfoxide reductase msrb (EC 1.8.4.12)	protein	141	20% helix, 28% strand	P54155

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	339	0.67	0.81	42	empty
2	381	0.66	0.80	51	empty
3	181	0.58	0.81	24	empty
4	129	0.41	0.75	17	empty

Interfaces

5 interfaces between chains.

A–D · 637 Å² buried · 3 hydrogen bonds · protein-protein
A–B · 617 Å² buried · 6 hydrogen bonds · protein-protein
C–F · 592 Å² buried · 3 hydrogen bonds · protein-protein
C–E · 301 Å² buried · 2 hydrogen bonds · protein-protein
B–E · 101 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3E0O · Crystal structure of MsrB · the same entry in another collection · chain F against F, TM-score 1.00
P54155 · AlphaFold monomer V2.0 prediction for peptide methionine sulfoxide reductase msrb (P54155) · a predicted model of the same protein · chain C against A, TM-score 0.98

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 P54155
Elsewhere: RCSB PDB 3E0O · PDBe 3E0O · UniProt P54155

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.