MolNFT v1 · #37903 · protein
Novel bacterial methionine aminopeptidase inhibitors
2GG8: “Novel bacterial methionine aminopeptidase inhibitors”. X-ray diffraction, 3 ligands (U15, CO, NA), 2 pockets (best druggability 0.58). MolNFT v1 #37903 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2GG8
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methionine aminopeptidase
- EC
- 3.4.11.18
- UniProt
- P0AE18
- Ligands
- U15, CO, NA
- Pockets
- 2 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methionine aminopeptidase (EC 3.4.11.18) | protein | 263 | 28% helix, 27% strand | P0AE18 |
Ligands and binding sites
- U15 · Methyl N-[(2S,3R)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoyl]-D-alanyl-D-leucinate · ligand · chains A
- CO · Cobalt (II) ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 153 | 0.58 | 0.82 | 29 | U15 |
| 2 | 73 | 0.34 | 0.76 | 15 | empty |
Compared structures
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 P0AE18
- Elsewhere: RCSB PDB 2GG8 · PDBe 2GG8 · UniProt P0AE18
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