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MolNFT v1 · #38249 · protein

Crystal structure of PRGX/ICF10 complex

2GRM: “Crystal structure of PRGX/ICF10 complex”. X-ray diffraction, 8 pockets (best druggability 0.63). MolNFT v1 #38249 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2GRM
Type
protein
Length
938 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Prgx; Peptide
Pockets
8 · best druggability 0.63

Structure

x-ray diffraction · 3 distinct chains · 69% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPrgxprotein31571% helix, 1% strand—
CPrgxprotein29470% helix, 1% strand—
D, EPeptideprotein70% helix, 29% strand—

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14130.630.7744empty
23040.580.7729empty
33250.570.7637empty
41490.550.8123empty
51520.550.8121empty

Interfaces

4 interfaces between chains.

  • B–E · 823 Ų buried · 16 hydrogen bonds · protein-protein
  • A–D · 806 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 575 Ų buried · 2 hydrogen bonds · protein-protein
  • A–B · 571 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 2GRM · Crystal structure of PrgX/iCF10 complex · the same entry in another collection · chain A against A, TM-score 1.00

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