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MolNFT v1 · #173871 · protein

Human BRR2 helicase region in complex with C-tail deleted JAB1 and atpgammas

7BDI · U5 small nuclear ribonucleoprotein 200 kda helicase: “Human BRR2 helicase region in complex with C-tail deleted JAB1 and atpgammas”. X-ray diffraction, 2 ligands (AGS, MG), 20 pockets (best druggability 0.82). MolNFT v1 #173871 on…

PDB
7BDI
Type
protein
Length
1,987 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
U5 small nuclear ribonucleoprotein 200 kda helicase; Pre-mRNA-processing-splicing factor 8
EC
3.6.4.13
UniProt
O75643, Q6P2Q9
Ligands
AGS, MG
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BU5 small nuclear ribonucleoprotein 200 kda helicase (EC 3.6.4.13)protein172540% helix, 17% strandO75643
JPre-mRNA-processing-splicing factor 8protein26224% helix, 25% strandQ6P2Q9

Ligands and binding sites

  • AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 2 copies · chains B
  • MG · Magnesium ion · metal · 2 copies · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18900.820.8482empty
29030.800.8378empty
37530.760.8178empty
43430.750.8644empty
57300.740.7947AGS, MG

Interfaces

1 interface between chains.

  • B–J · 1778 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 7BDI · Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and ATPgammaS · the same entry in another collection · chain B against B, TM-score 1.00

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