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MolNFT v1 · #150512 · protein + DNA

Hybrid structure of the PRN1 helix bundle domain in complex with DNA and 2 ATP molecules

6GVT · DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'): “Hybrid structure of the PRN1 helix bundle domain in complex with DNA and 2 ATP molecules”. Solution nmr; solid-state nmr, 2 ligands (ATP, MG), 1 pocket (best druggability 0.39). MolNFT v1…

PDB
6GVT
Type
protein + DNA
Length
124 residues
Chains
2
Method
solution nmr; solid-state nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'); Functional PRN1 primase
UniProt
Q54324
Ligands
ATP, MG
Pockets
1 · best druggability 0.39

Structure

solution nmr; solid-state nmr · 2 distinct chains · 63% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3')dna9——
BFunctional PRN1 primaseprotein11563% helix, 0% strandQ54324

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, 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

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1920.390.7617empty

Interfaces

1 interface between chains.

  • A–B · 682 Ų buried · 15 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6GVT · Hybrid structure of the pRN1 helix bundle domain in complex with DNA and 2 ATP molecules · the same entry in another collection · chain A against A, TM-score 1.00

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