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MolNFT v1 · #9760 · protein + DNA

Crystal structure of a pseudo-16-mer DNA with stacked guanines and two G-a mispairs complexed with the N- terminal fragment of moloney murine leukemia virus reverse transcriptase

1I6J · 5'-D(*GP*TP*CP*GP*TP*C)-3': “Crystal structure of a pseudo-16-mer DNA with stacked guanines and two G-a mispairs complexed with the N…”. X-ray diffraction, 2 pockets (best druggability 0.52). MolNFT v1 #9760 on GenesisL1: 3D…

PDB
1I6J
Type
protein + DNA
Length
272 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*GP*TP*CP*GP*TP*C)-3'; 5'-D(*AP*CP*GP*GP*GP*AP*CP*GP*AP*C)-3'; Reverse transcriptase
EC
2.7.7.49
UniProt
P03355
Pockets
2 · best druggability 0.52

Structure

x-ray diffraction · 3 distinct chains · 31% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B5'-D(*GP*TP*CP*GP*TP*C)-3'dna6——
C5'-D(*AP*CP*GP*GP*GP*AP*CP*GP*AP*C)-3'dna10——
AReverse transcriptase (EC 2.7.7.49)protein25631% helix, 24% strandP03355

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12560.520.7527empty
21760.480.7727empty

Interfaces

3 interfaces between chains.

  • B–C · 259 Ų buried · 23 hydrogen bonds · nucleic-nucleic
  • B–A · 235 Ų buried · 6 hydrogen bonds · protein-nucleic
  • C–A · 190 Ų buried · 3 hydrogen bonds · protein-nucleic

Compared structures

  • 1I6J · Crystal structure of a pseudo-16-mer DNA with stacked guanines and two G-a mispairs… · the same entry in another collection · chain B against B, TM-score 1.00

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