MolNFT v1 · #105927 · protein

Crystal structure of the opro mutant protein F62Y/D114Y

4RJX · Porin O: “Crystal structure of the opro mutant protein F62Y/D114Y”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.80). MolNFT v1 #105927 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4RJX
Type: protein
Length: 425 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Porin O
UniProt: P32977
Ligands: PO4
Pockets: 2 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 55% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Porin O	protein	425	4% helix, 55% strand	P32977

Ligands and binding sites

PO4 · Phosphate ion · ion · chains A
C8E · (hydroxyethyloxy)tri(ethyloxy)octane · additive · 4 copies · chains A

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	1107	0.80	0.82	105	PO4
2	82	0.33	0.74	27	empty

Compared structures

4RJX · Crystal structure of the OprO mutant protein F62Y/D114Y · the same entry in another collection · chain A against A, TM-score 1.00
P32977 · AlphaFold monomer V2.0 prediction for porin O (P32977) · a predicted model of the same protein · chain A 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 P32977
Elsewhere: RCSB PDB 4RJX · PDBe 4RJX · UniProt P32977

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