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MolNFT v1 · #54163 · protein + RNA

Structure of MTR4, a dexh helicase involved in nuclear RNA processing and surveillance

2XGJ · ATP-dependent RNA helicase DOB1: “Structure of MTR4, a dexh helicase involved in nuclear RNA processing and surveillance”. X-ray diffraction, 1 ligand (ADP), 14 pockets (best druggability 0.84). MolNFT v1 #54163 on GenesisL1: 3D…

PDB
2XGJ
Type
protein + RNA
Length
1,751 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-dependent RNA helicase DOB1; RNA (5'-(*AP*AP*AP*AP*A)-3')
EC
3.6.4.13, 3.6.1.-
UniProt
P47047
Ligands
ADP
Pockets
14 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 48% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP-dependent RNA helicase DOB1 (EC 3.6.4.13, 3.6.1.-)protein96445% helix, 17% strandP47047
BATP-dependent RNA helicase DOB1 (EC 3.6.4.13, 3.6.1.-)protein77753% helix, 11% strandP47047
C, DRNA (5'-(*AP*AP*AP*AP*A)-3')rna5——

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B

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

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15100.840.9067empty
27840.830.8690empty
37160.800.8466empty
45790.760.8370ADP
55690.740.8251empty

Interfaces

3 interfaces between chains.

  • A–C · 716 Ų buried · 15 hydrogen bonds · protein-nucleic
  • A–B · 663 Ų buried · 7 hydrogen bonds · protein-protein
  • B–D · 659 Ų buried · 19 hydrogen bonds · protein-nucleic

Compared structures

  • 2XGJ · Structure of Mtr4, a DExH helicase involved in nuclear RNA processing and surveillance · the same entry in another collection · chain B against B, TM-score 1.00
  • P47047 · AlphaFold monomer V2.0 prediction for ATP-dependent RNA helicase DOB1 (P47047) · a predicted model of the same protein · chain B against A, TM-score 0.93

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