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MolNFT v1 · #122517 · protein

Crystal structure of rabbit NOD2 in an ADP-bound state (crystal FORM2)

5IRM · Uncharacterized protein: “Crystal structure of rabbit NOD2 in an ADP-bound state (crystal FORM2)”. X-ray diffraction, 1 ligand (ADP), 11 pockets (best druggability 0.84). MolNFT v1 #122517 on GenesisL1: 3D structure, binding sites…

PDB
5IRM
Type
protein
Length
1,537 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Uncharacterized protein
UniProt
G1T469
Ligands
ADP
Pockets
11 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUncharacterized proteinprotein76751% helix, 11% strandG1T469
CUncharacterized proteinprotein77051% helix, 11% strandG1T469

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, C

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

Pockets

11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16150.840.8974ADP
210580.830.84122empty
310450.810.8279ADP
45570.780.8568empty
52750.540.7633empty

Interfaces

1 interface between chains.

  • A–C · 1082 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 5IRM · Crystal structure of rabbit NOD2 in an ADP-bound state (Crystal form2) · the same entry in another collection · chain A against A, TM-score 1.00

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