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MolNFT v1 · #26014 · protein

Crystal structure of the T13 ibdv viral particle reveals a missing link in icosahedral viruses evolution

1WCE · Major structural protein VP2: “Crystal structure of the T13 ibdv viral particle reveals a missing link in icosahedral viruses evolution”. X-ray diffraction, 20 pockets (best druggability 0.48). MolNFT v1 #26014 on GenesisL1: 3D…

PDB
1WCE
Type
protein
Length
5,533 residues
Chains
13
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Major structural protein VP2
UniProt
P15480
Pockets
20 · best druggability 0.48

Structure

x-ray diffraction · 11 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMajor structural protein VP2protein4250% helix, 0% strandP15480
B, CMajor structural protein VP2protein4300% helix, 0% strandP15480
DMajor structural protein VP2protein4240% helix, 0% strandP15480
E, LMajor structural protein VP2protein4290% helix, 0% strandP15480
FMajor structural protein VP2protein4360% helix, 0% strandP15480
GMajor structural protein VP2protein4260% helix, 0% strandP15480
HMajor structural protein VP2protein4230% helix, 0% strandP15480
IMajor structural protein VP2protein4170% helix, 0% strandP15480
JMajor structural protein VP2protein4230% helix, 0% strandP15480
KMajor structural protein VP2protein4160% helix, 0% strandP15480
MMajor structural protein VP2protein4250% helix, 0% strandP15480

Pockets

20 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12200.480.7253empty
22220.480.7248empty
31930.470.7350empty
41840.460.7336empty
51730.460.7346empty

Interfaces

21 interfaces between chains.

  • D–M · 461 Ų buried · 0 hydrogen bonds · protein-protein
  • G–K · 461 Ų buried · 0 hydrogen bonds · protein-protein
  • H–L · 459 Ų buried · 0 hydrogen bonds · protein-protein
  • A–J · 459 Ų buried · 0 hydrogen bonds · protein-protein
  • B–K · 459 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1WCE · Crystal structure of the T13 IBDV viral particle reveals a missing link in icosahedral… · the same entry in another collection · chain E against E, TM-score 1.00

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