GL1X · GenesisL1 explorer

MolNFT v1 · #23769 · protein + DNA

E. COLI rep HELICASE/DNA complex

1UAA · DNA (5'- D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)…: “E. COLI rep HELICASE/DNA complex”. X-ray diffraction, 15 pockets (best druggability 0.82). MolNFT v1 #23769 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1UAA
Type
protein + DNA
Length
1,285 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'); Protein (ATP-dependent…
EC
3.6.1.-
UniProt
P09980
Pockets
15 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 53% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CDNA (5'- D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3')dna16——
AProtein (ATP-dependent DNA helicase rep.) (EC 3.6.1.-)protein63653% helix, 11% strandP09980
BProtein (ATP-dependent DNA helicase rep.) (EC 3.6.1.-)protein63353% helix, 13% strandP09980

Pockets

15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18750.820.84109empty
28310.750.7997empty
36530.750.8161empty
43420.570.7638empty
51410.570.8328empty

Interfaces

3 interfaces between chains.

  • C–A · 1180 Ų buried · 30 hydrogen bonds · protein-nucleic
  • C–B · 1148 Ų buried · 25 hydrogen bonds · protein-nucleic
  • A–B · 727 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 1UAA · E. COLI rep HELICASE/DNA complex · the same entry in another collection · chain C against C, TM-score 1.00
  • P09980 · AlphaFold monomer V2.0 prediction for ATP-dependent DNA helicase rep (P09980) · a predicted model of the same protein · chain A against A, TM-score 0.86

Analyse

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