MolNFT v1 · #19890 · protein
Crystal structure of staphyloccocus aureus in complex with an aminoketone inhibitor 54135.
1QXW · Methionyl aminopeptidase: “Crystal structure of staphyloccocus aureus in complex with an aminoketone inhibitor 54135.”. X-ray diffraction, 2 ligands (M1C, CO), 1 pocket (best druggability 0.60). MolNFT v1 #19890 on GenesisL1: 3D…
- PDB
- 1QXW
- Type
- protein
- Length
- 249 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methionyl aminopeptidase
- EC
- 3.4.11.18
- UniProt
- P0A080
- Ligands
- M1C, CO
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methionyl aminopeptidase (EC 3.4.11.18) | protein | 249 | 30% helix, 27% strand | P0A080 |
Ligands and binding sites
- M1C · (3S)-3-amino-1-(cyclopropylamino)heptane-2,2-diol · ligand · chains A
- CO · Cobalt (II) ion · metal · 2 copies · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 203 | 0.60 | 0.81 | 24 | CO, M1C |
Compared structures
- 1QXW · Crystal structure of Staphyloccocus aureus in complex with an aminoketone inhibitor 54135. · the same entry in another collection · chain A against A, TM-score 1.00
- P0A080 · AlphaFold monomer V2.0 prediction for methionine aminopeptidase (P0A080) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P0A080
- Elsewhere: RCSB PDB 1QXW · PDBe 1QXW · UniProt P0A080
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