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MolNFT v1 · #47477 · protein + DNA

Crystal structure of RB69 GP43 in complex with DNA with datp opposite dtmp

2OZS · Template DNA: “Crystal structure of RB69 GP43 in complex with DNA with datp opposite dtmp”. X-ray diffraction, 2 ligands (DTP, MG), 13 pockets (best druggability 0.82). MolNFT v1 #47477 on GenesisL1: 3D structure, binding sites and…

PDB
2OZS
Type
protein + DNA
Length
935 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Template DNA; Primer DNA; DNA polymerase
EC
2.7.7.7
UniProt
Q38087
Ligands
DTP, MG
Pockets
13 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 43% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
TTemplate DNAdna18——
PPrimer DNAdna14——
ADNA polymerase (EC 2.7.7.7)protein90343% helix, 18% strandQ38087

Ligands and binding sites

  • DTP · 2'-deoxyadenosine 5'-triphosphate · ligand · chains T, P, A
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13200.820.9234empty
29980.780.8090MG, DTP
310980.770.7971empty
41280.610.8519empty
52720.570.7725empty

Interfaces

3 interfaces between chains.

  • T–A · 1119 Ų buried · 15 hydrogen bonds · protein-nucleic
  • P–A · 689 Ų buried · 13 hydrogen bonds · protein-nucleic
  • T–P · 643 Ų buried · 65 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 2OZS · Crystal structure of RB69 gp43 in complex with DNA with dATP opposite dTMP · the same entry in another collection · chain T against T, TM-score 1.00

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