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MolNFT v1 · #168855 · protein

Crystal structure of the second form of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from SARS cov-2

6WTC · Non-structural protein 7: “Crystal structure of the second form of the co-factor complex of NSP7 and the C-terminal domain of NSP8 from…”. X-ray diffraction, 1 pocket (best druggability 0.69). MolNFT v1 #168855 on GenesisL1: 3D…

PDB
6WTC
Type
protein
Length
378 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-structural protein 7; Non-structural protein 8
UniProt
P0DTD1
Pockets
1 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 52% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANon-structural protein 7protein7374% helix, 0% strandP0DTD1
BNon-structural protein 8protein11637% helix, 26% strandP0DTD1
CNon-structural protein 7protein7378% helix, 0% strandP0DTD1
DNon-structural protein 8protein11638% helix, 26% strandP0DTD1

Ligands and binding sites

  • ACY · Acetic acid · additive · 2 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16440.690.7754ACY

Interfaces

5 interfaces between chains.

  • C–D · 1475 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 1435 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 177 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 176 Ų buried · 3 hydrogen bonds · protein-protein
  • A–C · 132 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6WTC · Crystal Structure of the Second Form of the Co-factor Complex of NSP7 and the C-terminal… · the same entry in another collection · chain A against A, TM-score 1.00

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