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MolNFT v1 · #51805 · protein + DNA

Crystal structure of the ISHP608 transposase in complex with left end 26-mer DNA and manganese

2VIC · Transposase orfa: “Crystal structure of the ISHP608 transposase in complex with left end 26-mer DNA and manganese”. X-ray diffraction, 1 ligand (MN), 6 pockets (best druggability 0.60). MolNFT v1 #51805 on GenesisL1: 3D structure…

PDB
2VIC
Type
protein + DNA
Length
330 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transposase orfa; 5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*TP*AP…
UniProt
Q933Z0
Ligands
MN
Pockets
6 · best druggability 0.60

Structure

x-ray diffraction · 4 distinct chains · 42% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransposase orfaprotein15143% helix, 23% strandQ933Z0
BTransposase orfaprotein12841% helix, 27% strandQ933Z0
C5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*TP*AP *GP*CP*TP*TP*TP*TP*AP*GP*CP*TP*AP*TP*GP*GP*GP*G)-3'dna25——
D5'-D(*AP*AP*AP*GP*CP*CP*CP*CP*TP*AP *GP*CP*TP*TP*TP*TP*AP*GP*CP*TP*AP*TP*GP*GP*GP*G)-3'dna26——

Ligands and binding sites

  • MN · Manganese (II) ion · metal · 2 copies · chains A, B, D

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12850.600.8027empty
22970.550.7636empty
32290.550.7821empty
4790.340.7621empty
5700.320.7421empty

Interfaces

5 interfaces between chains.

  • A–B · 2117 Ų buried · 31 hydrogen bonds · protein-protein
  • A–C · 951 Ų buried · 20 hydrogen bonds · protein-nucleic
  • B–D · 924 Ų buried · 19 hydrogen bonds · protein-nucleic
  • B–C · 643 Ų buried · 7 hydrogen bonds · protein-nucleic
  • A–D · 613 Ų buried · 9 hydrogen bonds · protein-nucleic

Compared structures

  • 2VIC · CRYSTAL STRUCTURE OF THE ISHP608 TRANSPOSASE IN COMPLEX with Left end 26- mer DNA and… · the same entry in another collection · chain A against A, TM-score 1.00

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