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MolNFT v1 · #156898 · protein + DNA

Crystal structure of host-guest complex with pc hachimoji DNA

6MIH · N-terminal fragment of mmlv reverse transcriptase: “Crystal structure of host-guest complex with pc hachimoji DNA”. X-ray diffraction, 1 pocket (best druggability 0.48). MolNFT v1 #156898 on GenesisL1: 3D structure, binding sites…

PDB
6MIH
Type
protein + DNA
Length
264 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
N-terminal fragment of mmlv reverse transcriptase; DNA…
EC
3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-
UniProt
P03355
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 3 distinct chains · 31% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AN-terminal fragment of mmlv reverse transcriptase (EC 3.4.23.-, 2.7.7.49, 2.7.7.7, 3.1.26.4, 2.7.7.-, 3.1.-.-)protein24831% helix, 25% strandP03355
BDNA (5'-D(*CP*TP*TP*AP*(1WA)P*CP*(DB)P*T)-3')dna8——
GDNA (5'-D(P*AP*(DS)P*GP*(1W5)P*TP*AP*AP*G)-3')dna8——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11440.480.7825empty

Interfaces

3 interfaces between chains.

  • B–G · 363 Ų buried · 36 hydrogen bonds · nucleic-nucleic
  • A–B · 236 Ų buried · 5 hydrogen bonds · protein-nucleic
  • A–G · 207 Ų buried · 4 hydrogen bonds · protein-nucleic

Modifications

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

Compared structures

  • 6MIH · Crystal structure of host-guest complex with PC hachimoji DNA · the same entry in another collection · chain A against A, TM-score 1.00

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