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MolNFT v1 · #122810 · protein + DNA

Lambda excision hj intermediate

5J0N · Attp(-117 to +79): “Lambda excision hj intermediate”. Electron microscopy, 20 pockets (best druggability 0.84). MolNFT v1 #122810 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5J0N
Type
protein + DNA
Length
2,349 residues
Chains
15
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Attp(-117 to +79); Attb(-21) to ATTP(+117); Attb(-19 to +21); Attp(-79) to ATTB(+19)…
EC
2.7.7.-, 3.1.-.-
UniProt
P03700, B7MAS3, B7MHM1, P03699
Pockets
20 · best druggability 0.84

Structure

electron microscopy · 12 distinct chains · 40% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAttp(-117 to +79)dna197——
BAttb(-21) to ATTP(+117)dna139——
CAttb(-19 to +21)dna41——
DAttp(-79) to ATTB(+19)dna99——
EIntegrase (EC 2.7.7.-, 3.1.-.-)protein27448% helix, 6% strandP03700
F, HIntegrase (EC 2.7.7.-, 3.1.-.-)protein35638% helix, 9% strandP03700
GIntegrase (EC 2.7.7.-, 3.1.-.-)protein34541% helix, 6% strandP03700
I, KIntegration host factor subunit alphaprotein9639% helix, 23% strandB7MAS3
J, LIntegration host factor subunit betaprotein9439% helix, 19% strandB7MHM1
MExcisionaseprotein5326% helix, 19% strandP03699
NExcisionaseprotein5428% helix, 19% strandP03699
OExcisionaseprotein5525% helix, 22% strandP03699

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18500.840.8790empty
210650.800.8276empty
35720.780.8556empty
411560.770.7973empty
510260.740.77105empty

Interfaces

43 interfaces between chains.

  • A–B · 5155 Ų buried · 242 hydrogen bonds · nucleic-nucleic
  • A–D · 3487 Ų buried · 198 hydrogen bonds · nucleic-nucleic
  • K–L · 2618 Ų buried · 25 hydrogen bonds · protein-protein
  • I–J · 2590 Ų buried · 23 hydrogen bonds · protein-protein
  • D–G · 1768 Ų buried · 34 hydrogen bonds · protein-nucleic

Compared structures

  • 5J0N · Lambda excision HJ intermediate · the same entry in another collection · chain O against O, TM-score 1.00

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