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MolNFT v1 · #161170 · protein

High resolution electron cryo-microscopy structure of the bacteriophage PR772

6Q5U · Major capsid protein (P3): “High resolution electron cryo-microscopy structure of the bacteriophage PR772”. Electron microscopy, 20 pockets (best druggability 0.89). MolNFT v1 #161170 on GenesisL1: 3D structure, binding sites and…

PDB
6Q5U
Type
protein
Length
5,386 residues
Chains
19
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Major capsid protein (P3); Minor capsid protein (P30); Infectivity protein (P16); Spike…
UniProt
Q6EDX0, Q6EDW3, Q6EDW1, Q6EDX8, Q6EDY0
Pockets
20 · best druggability 0.89

Structure

electron microscopy · 12 distinct chains · 13% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, JMajor capsid protein (P3)protein39011% helix, 39% strandQ6EDX0
B, KMajor capsid protein (P3)protein37713% helix, 40% strandQ6EDX0
C, F, IMajor capsid protein (P3)protein39413% helix, 38% strandQ6EDX0
DMajor capsid protein (P3)protein38013% helix, 39% strandQ6EDX0
EMajor capsid protein (P3)protein37913% helix, 41% strandQ6EDX0
GMajor capsid protein (P3)protein38814% helix, 41% strandQ6EDX0
HMajor capsid protein (P3)protein37413% helix, 40% strandQ6EDX0
LMajor capsid protein (P3)protein39215% helix, 40% strandQ6EDX0
MMinor capsid protein (P30)protein845% helix, 8% strandQ6EDW3
NInfectivity protein (P16)protein5137% helix, 2% strandQ6EDW1
O, P, QSpike proteinprotein1244% helix, 35% strandQ6EDX8
R, SPenton proteinprotein1255% helix, 29% strandQ6EDY0

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111720.890.91165empty
27590.870.90117empty
310340.790.80120empty
44080.770.8642empty
510840.770.79107empty

Interfaces

39 interfaces between chains.

  • J–K · 2110 Ų buried · 31 hydrogen bonds · protein-protein
  • D–F · 2071 Ų buried · 30 hydrogen bonds · protein-protein
  • A–C · 2067 Ų buried · 36 hydrogen bonds · protein-protein
  • A–B · 2053 Ų buried · 31 hydrogen bonds · protein-protein
  • G–I · 2048 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

  • 6Q5U · High resolution electron cryo-microscopy structure of the bacteriophage PR772 · the same entry in another collection · chain A against A, TM-score 1.00

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