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MolNFT v1 · #45959 · protein

Crystal structure of human methionine aminopeptidase type 1 in complex with 3-tert-butoxycarbonylaminopyridine-2-carboxylic acid thiazole-2- ylamide

2NQ6 · Methionine aminopeptidase 1: “Crystal structure of human methionine aminopeptidase type 1 in complex with…”. X-ray diffraction, 3 ligands (HM4, CO, CA), 2 pockets (best druggability 0.65). MolNFT v1 #45959 on GenesisL1: 3D…

PDB
2NQ6
Type
protein
Length
304 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methionine aminopeptidase 1
EC
3.4.11.18
UniProt
P53582
Ligands
HM4, CO, CA
Pockets
2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethionine aminopeptidase 1 (EC 3.4.11.18)protein30427% helix, 22% strandP53582

Ligands and binding sites

  • HM4 · Tert-butyl {2-[(1,3-thiazol-2-ylamino)carbonyl]pyridin-3-yl}carbamate · ligand · chains A
  • CO · Cobalt (II) ion · metal · 3 copies · chains A
  • CA · Calcium ion · metal · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1500.650.9521GOL
23010.600.7837CO, HM4

Compared structures

  • 2NQ6 · Crystal structure of human methionine aminopeptidase type 1 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P53582 · AlphaFold monomer V2.0 prediction for methionine aminopeptidase 1 (P53582) · a predicted model of the same protein · chain A against A, TM-score 1.00

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