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MolNFT v1 · #17484 · protein + DNA

Crystal structure of a mutant ihf (BETAE44A) complexed with a variant H' site (T44A)

1OUZ · Phage lambda H' site: “Crystal structure of a mutant ihf (BETAE44A) complexed with a variant H' site (T44A)”. X-ray diffraction, 6 pockets (best druggability 0.80). MolNFT v1 #17484 on GenesisL1: 3D structure, binding sites and…

PDB
1OUZ
Type
protein + DNA
Length
260 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phage lambda H' site; 5'-D(*GP*GP*CP*CP*AP*AP*AP*AP*AP*AP*GP*CP*AP*TP*T)-3'…
UniProt
P0A6X7, P0A6Y1
Pockets
6 · best druggability 0.80

Structure

x-ray diffraction · 5 distinct chains · 39% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CPhage lambda H' sitedna35——
D5'-D(*GP*GP*CP*CP*AP*AP*AP*AP*AP*AP*GP*CP*AP*TP*T)-3'dna15——
E5'-D(*GP*CP*TP*TP*AP*TP*CP*AP*AP*TP*TP*TP*GP*TP*AP*GP*CP*AP *CP*C)-3'dna20——
AIntegration host factor alpha-subunitprotein9638% helix, 29% strandP0A6X7
BIntegration host factor beta-subunitprotein9440% helix, 30% strandP0A6Y1

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18260.800.8473empty
23190.640.8025empty
31530.550.8229empty
42140.490.7519empty
52360.470.7419empty

Interfaces

10 interfaces between chains.

  • A–B · 2471 Ų buried · 29 hydrogen bonds · protein-protein
  • C–E · 924 Ų buried · 72 hydrogen bonds · nucleic-nucleic
  • C–B · 817 Ų buried · 20 hydrogen bonds · protein-nucleic
  • C–A · 685 Ų buried · 9 hydrogen bonds · protein-nucleic
  • C–D · 683 Ų buried · 48 hydrogen bonds · nucleic-nucleic

Compared structures

  • 1OUZ · Crystal structure of a mutant IHF (BetaE44A) complexed with a variant H' Site (T44A) · the same entry in another collection · chain D against D, TM-score 1.00
  • P0A6Y1 · AlphaFold monomer V2.0 prediction for integration host factor subunit beta (P0A6Y1) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P0A6X7 · AlphaFold monomer V2.0 prediction for integration host factor subunit alpha (P0A6X7) · a predicted model of the same protein · chain A against A, TM-score 0.96

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