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MolNFT v1 · #22057 · protein

Crystal structure of a hypothetical protein at 2.2 a resolution

1STZ · Heat-inducible transcription repressor hrca homolog: “Crystal structure of a hypothetical protein at 2.2 a resolution”. X-ray diffraction, 9 pockets (best druggability 0.85). MolNFT v1 #22057 on GenesisL1: 3D structure, binding…

PDB
1STZ
Type
protein
Length
945 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Heat-inducible transcription repressor hrca homolog
UniProt
Q9WZV5
Pockets
9 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHeat-inducible transcription repressor hrca homologprotein32349% helix, 20% strandQ9WZV5
B, CHeat-inducible transcription repressor hrca homologprotein31147% helix, 21% strandQ9WZV5

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110750.850.8599empty
22800.640.8139empty
3850.510.8320empty
42360.480.7430empty
5570.480.8523empty

Interfaces

3 interfaces between chains.

  • A–C · 1718 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 662 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 654 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 1STZ · Crystal structure of a hypothetical protein at 2.2 A resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9WZV5 · AlphaFold monomer V2.0 prediction for heat-inducible transcription repressor hrca (Q9WZV5) · a predicted model of the same protein · chain A against A, TM-score 0.96

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