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MolNFT v1 · #15060 · protein

Crystal structure of MS2 capsids with mutations in the subunit fg loop

1MST · Bacteriophage MS2 capsid: “Crystal structure of MS2 capsids with mutations in the subunit fg loop”. X-ray diffraction, 4 pockets (best druggability 0.76). MolNFT v1 #15060 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1MST
Type
protein
Length
387 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacteriophage MS2 capsid
UniProt
P03612
Pockets
4 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CBacteriophage MS2 capsidprotein12919% helix, 47% strandP03612

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19790.760.78112empty
21180.380.7426empty
3960.340.7417empty
4530.330.7714empty

Interfaces

3 interfaces between chains.

  • B–C · 569 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 545 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 521 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 1MST · Crystal structure of MS2 capsids with mutations in the subunit fg loop · the same entry in another collection · chain B against B, TM-score 1.00

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