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MolNFT v1 · #6158 · protein + DNA

Crystal structure of trimeric cre recombinase-lox complex

1F44 · DNA (5'- D(*TP*AP*TP*AP*AP*CP*TP*TP*CP*GP*TP*AP*TP*AP*GP*C)…: “Crystal structure of trimeric cre recombinase-lox complex”. X-ray diffraction, 6 pockets (best druggability 0.69). MolNFT v1 #6158 on GenesisL1: 3D structure, binding…

PDB
1F44
Type
protein + DNA
Length
351 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*TP*AP*TP*AP*AP*CP*TP*TP*CP*GP*TP*AP*TP*AP*GP*C)-3'); DNA (5'…
UniProt
P06956
Pockets
6 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 58% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
MDNA (5'- D(*TP*AP*TP*AP*AP*CP*TP*TP*CP*GP*TP*AP*TP*AP*GP*C)-3')dna16——
NDNA (5'- D(*AP*TP*AP*TP*GP*CP*TP*AP*TP*AP*CP*GP*AP*AP*GP*TP*TP*AP*T)-3')dna19——
ACre recombinaseprotein31658% helix, 5% strandP06956

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14990.690.8049empty
22840.530.7627empty
32330.530.7723empty
41670.510.7926empty
51060.380.7516empty

Interfaces

3 interfaces between chains.

  • M–A · 1344 Ų buried · 32 hydrogen bonds · protein-nucleic
  • N–A · 1254 Ų buried · 39 hydrogen bonds · protein-nucleic
  • M–N · 697 Ų buried · 62 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1F44 · Crystal structure of trimeric cre recombinase-lox complex · the same entry in another collection · chain M against M, TM-score 1.00

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