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MolNFT v1 · #110151 · protein + DNA

Crystal structure of 5'-cttatpptazzataag in a host-guest complex

4XO0 · Reverse transcriptase: “Crystal structure of 5'-cttatpptazzataag in a host-guest complex”. X-ray diffraction, 2 pockets (best druggability 0.47). MolNFT v1 #110151 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4XO0
Type
protein + DNA
Length
264 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Reverse transcriptase; DNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*T)-3'); DNA…
EC
2.7.7.49, 2.7.7.7, 3.1.26.4
UniProt
P03355
Pockets
2 · best druggability 0.47

Structure

x-ray diffraction · 3 distinct chains · 32% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReverse transcriptase (EC 2.7.7.49, 2.7.7.7, 3.1.26.4)protein24832% helix, 25% strandP03355
BDNA (5'-D(*CP*TP*TP*AP*TP*(1WA)P*(1WA)P*T)-3')dna8——
GDNA (5'-D(P*AP*(1W5)P*(1W5)P*AP*TP*AP*AP*G)-3')dna8——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11800.470.7523empty
2810.300.7316empty

Interfaces

3 interfaces between chains.

  • B–G · 358 Ų buried · 35 hydrogen bonds · nucleic-nucleic
  • A–B · 230 Ų buried · 3 hydrogen bonds · protein-nucleic
  • A–G · 208 Ų buried · 4 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 4 modified (nucleotide modification).

Compared structures

  • 4XO0 · Crystal structure of 5'-CTTATPPTAZZATAAG in a host-guest complex · the same entry in another collection · chain A against A, TM-score 1.00

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