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MolNFT v1 · #8278 · protein

Quasi-atomic resolution model of bacteriophage PRD1 capsid, obtained by combined cryo-EM and X-ray crystallography.

1GW7 · Major capsid protein: “Quasi-atomic resolution model of bacteriophage PRD1 capsid, obtained by combined cryo-EM and X-ray…”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1 #8278 on GenesisL1: 3D structure…

PDB
1GW7
Type
protein
Length
4,451 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Major capsid protein
UniProt
P22535
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 4 distinct chains · 15% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, G, JMajor capsid proteinprotein37014% helix, 42% strandP22535
B, E, H, KMajor capsid proteinprotein37215% helix, 42% strandP22535
C, F, I, LMajor capsid proteinprotein37116% helix, 43% strandP22535
DMajor capsid proteinprotein36914% helix, 42% strandP22535

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110590.850.8686empty
28620.800.8386empty
310890.790.8196empty
48880.780.8085empty
52020.770.9228empty

Interfaces

22 interfaces between chains.

  • A–C · 1777 Ų buried · 33 hydrogen bonds · protein-protein
  • G–I · 1777 Ų buried · 33 hydrogen bonds · protein-protein
  • D–F · 1775 Ų buried · 33 hydrogen bonds · protein-protein
  • B–C · 1770 Ų buried · 36 hydrogen bonds · protein-protein
  • J–L · 1768 Ų buried · 33 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 isopeptide (isopeptide).

Compared structures

  • 1GW7 · Quasi-atomic resolution model of bacteriophage PRD1 capsid, obtained by combined cryo-EM… · the same entry in another collection · chain A against A, TM-score 1.00

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