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MolNFT v1 · #99063 · protein

Ion selectivity of ompf soaked in 0.1M kbr

4LSF · Outer membrane protein F: “Ion selectivity of ompf soaked in 0.1M kbr”. X-ray diffraction, 1 ligand (BR), 5 pockets (best druggability 0.69). MolNFT v1 #99063 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4LSF
Type
protein
Length
678 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane protein F
UniProt
P02931
Ligands
BR
Pockets
5 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 61% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BOuter membrane protein Fprotein3394% helix, 61% strandP02931

Ligands and binding sites

  • BR · Bromide ion · ion · 7 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19090.690.7465GOL, BR
28430.690.7563BR, GOL
32060.490.7526empty
42330.460.7334empty
51870.420.7326empty

Interfaces

1 interface between chains.

  • A–B · 614 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4LSF · Ion selectivity of OmpF soaked in 0.1M KBr · the same entry in another collection · chain A against A, TM-score 1.00
  • P02931 · AlphaFold monomer V2.0 prediction for outer membrane porin F (P02931) · a predicted model of the same protein · chain A against A, TM-score 1.00

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