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MolNFT v1 · #48294 · protein

Structure of porin refined at 1.8 ångströms resolution

2POR: “Structure of porin refined at 1.8 ångströms resolution”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.54). MolNFT v1 #48294 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2POR
Type
protein
Length
301 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Porin
UniProt
P31243
Ligands
CA
Pockets
3 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 59% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APorinprotein3017% helix, 59% strandP31243

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12410.540.7727CA, C8E
21180.370.7426empty
3570.260.7316empty

Compared structures

  • 2POR · Structure of porin refined at 1.8 ångströms resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • P31243 · AlphaFold monomer V2.0 prediction for porin (P31243) · a predicted model of the same protein · chain A against A, TM-score 0.98

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