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MolNFT v1 · #173527 · protein

Crystal structure of nhl domain of TRIM2

7B2R · Tripartite motif-containing protein 2: “Crystal structure of nhl domain of TRIM2”. X-ray diffraction, 4 pockets (best druggability 0.75). MolNFT v1 #173527 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7B2R
Type
protein
Length
549 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tripartite motif-containing protein 2
EC
2.3.2.27
UniProt
Q9C040
Pockets
4 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATripartite motif-containing protein 2 (EC 2.3.2.27)protein2762% helix, 49% strandQ9C040
BTripartite motif-containing protein 2 (EC 2.3.2.27)protein2732% helix, 49% strandQ9C040

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 9 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17480.750.8080EDO
24020.690.8143EDO
34190.690.8142EDO
43350.690.8234empty

Interfaces

1 interface between chains.

  • A–B · 745 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 7B2R · Crystal structure of NHL domain of TRIM2 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9C040 · AlphaFold monomer V2.0 prediction for tripartite motif-containing protein 2 (Q9C040) · a predicted model of the same protein · chain B against A, TM-score 0.99

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