Research workbench
X-ray structures of oxazole hydroxamate ecmetap-mn complexes
Analyse X-ray structures of oxazole hydroxamate ecmetap-mn complexes in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4A6V
- Type
- protein
- Length
- 526 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methionine aminopeptidase
- EC
- 3.4.11.18
- UniProt
- C6EAB7
- Ligands
- IKY, MN, CO3
- Pockets
- 4 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methionine aminopeptidase (EC 3.4.11.18) | protein | 264 | 29% helix, 28% strand | C6EAB7 |
| B | Methionine aminopeptidase (EC 3.4.11.18) | protein | 262 | 28% helix, 28% strand | C6EAB7 |
Ligands and binding sites
- IKY · N-hydroxy-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
- CO3 · Carbonate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 173 | 0.61 | 0.83 | 29 | CO3, IKY |
| 2 | 205 | 0.58 | 0.80 | 29 | IKY |
| 3 | 327 | 0.54 | 0.74 | 47 | empty |
| 4 | 56 | 0.34 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 549 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4A6V · X-ray structures of oxazole hydroxamate EcMetAp-Mn complexes · the same entry in another collection · 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 C6EAB7
- Elsewhere: RCSB PDB 4A6V · PDBe 4A6V · UniProt C6EAB7
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