MolNFT v1 · #54082 · protein

Molecular insights into clinically isolated ompc mutants and their role in multi-drug resistance

2XE1 · Outer membrane protein C: “Molecular insights into clinically isolated ompc mutants and their role in multi-drug resistance”. X-ray diffraction, 1 ligand (D10), 2 pockets (best druggability 0.69). MolNFT v1 #54082 on GenesisL1: 3D…

PDB: 2XE1
Type: protein
Length: 354 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Outer membrane protein C
UniProt: Q8CVW1
Ligands: D10
Pockets: 2 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 57% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Outer membrane protein C	protein	354	7% helix, 57% strand	Q8CVW1

Ligands and binding sites

D10 · Decane · ligand · 2 copies · chains A
HEX · Hexane · additive · 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	908	0.69	0.75	67	empty
2	202	0.46	0.74	35	empty

Compared structures

2XE1 · Molecular insights into clinically isolated OmpC mutants and their role in multi-drug… · the same entry in another collection · chain A against A, TM-score 1.00
Q8CVW1 · AlphaFold monomer V2.0 prediction for outer membrane porin C (Q8CVW1) · a predicted model of the same protein · chain A against A, TM-score 1.00

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 Q8CVW1
Elsewhere: RCSB PDB 2XE1 · PDBe 2XE1 · UniProt Q8CVW1

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