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MolNFT v1 · #10647 · protein

Structure of ruvb complexed with ruva domain III

1IXS · Holliday junction DNA helicase ruva: “Structure of ruvb complexed with ruva domain III”. X-ray diffraction, 1 ligand (ANP), 2 pockets (best druggability 0.60). MolNFT v1 #10647 on GenesisL1: 3D structure, binding sites and pockets…

PDB
1IXS
Type
protein
Length
365 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Holliday junction DNA helicase ruva; Ruvb
EC
3.6.1.3
UniProt
Q9F1Q3, Q5SL87
Ligands
ANP
Pockets
2 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 49% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHolliday junction DNA helicase ruvaprotein5070% helix, 0% strandQ9F1Q3
BRuvb (EC 3.6.1.3)protein31546% helix, 13% strandQ5SL87

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13630.600.7736ANP
21990.490.7626empty

Interfaces

1 interface between chains.

  • A–B · 696 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 1IXS · Structure of RuvB complexed with RuvA domain III · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9F1Q3 · AlphaFold monomer V2.0 prediction for holliday junction ATP-dependent DNA helicase ruva… · a predicted model of the same protein · chain A against A, TM-score 0.95
  • Q5SL87 · AlphaFold monomer V2.0 prediction for holliday junction ATP-dependent DNA helicase ruvb… · a predicted model of the same protein · chain B against A, TM-score 0.93

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