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MolNFT v1 · #186092 · protein

Crystal structure of the vibrio cholerae replicative helicase (dnab)

7QXM · Replicative DNA helicase: “Crystal structure of the vibrio cholerae replicative helicase (dnab)”. X-ray diffraction, 20 pockets (best druggability 0.75). MolNFT v1 #186092 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7QXM
Type
protein
Length
2,651 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Replicative DNA helicase
EC
3.6.4.12
UniProt
A0A085R2T8
Pockets
20 · best druggability 0.75

Structure

x-ray diffraction · 5 distinct chains · 51% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReplicative DNA helicase (EC 3.6.4.12)protein44053% helix, 12% strandA0A085R2T8
B, FReplicative DNA helicase (EC 3.6.4.12)protein44051% helix, 12% strandA0A085R2T8
CReplicative DNA helicase (EC 3.6.4.12)protein44852% helix, 11% strandA0A085R2T8
DReplicative DNA helicase (EC 3.6.4.12)protein43951% helix, 12% strandA0A085R2T8
EReplicative DNA helicase (EC 3.6.4.12)protein44451% helix, 11% strandA0A085R2T8

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18230.750.7992empty
210330.730.76101empty
35780.710.8049empty
45720.710.8039empty
55490.690.7942empty

Interfaces

9 interfaces between chains.

  • A–B · 3767 Ų buried · 25 hydrogen bonds · protein-protein
  • C–D · 3716 Ų buried · 24 hydrogen bonds · protein-protein
  • E–F · 3668 Ų buried · 20 hydrogen bonds · protein-protein
  • B–C · 2285 Ų buried · 22 hydrogen bonds · protein-protein
  • D–E · 2233 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 7QXM · Crystal structure of the Vibrio cholerae replicative helicase (DnaB) · the same entry in another collection · chain A against A, TM-score 1.00

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