MolNFT v1 · #71320 · protein
E.COLI methionine aminopeptidase transition-state inhibitor complex
3MAT: “E.COLI methionine aminopeptidase transition-state inhibitor complex”. X-ray diffraction, 3 ligands (AHH, CO, NA), 2 pockets (best druggability 0.69). MolNFT v1 #71320 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3MAT
- Type
- protein
- Length
- 266 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methionine aminopeptidase; Bestatin-based inhibitor (3R)-amino-(2S)-hydroxyheptanoyl…
- EC
- 3.4.11.18
- UniProt
- P07906
- Ligands
- AHH, CO, NA
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methionine aminopeptidase (EC 3.4.11.18) | protein | 264 | 29% helix, 27% strand | P07906 |
| I | Bestatin-based inhibitor (3R)-amino-(2S)-hydroxyheptanoyl- L-ala-L-leu-L-val-L-phe-ome | protein | 2 | 0% helix, 0% strand | — |
Ligands and binding sites
- AHH · Amino-hydroxyheptanoic acid · ligand · chains A, I
- CO · Cobalt (II) ion · metal · 2 copies · chains A, I
- 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 | 51 | 0.69 | 0.97 | 14 | AHH |
| 2 | 53 | 0.25 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–I · 226 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 3MAT · E.COLI methionine aminopeptidase transition-state inhibitor complex · 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 P07906
- Elsewhere: RCSB PDB 3MAT · PDBe 3MAT · UniProt P07906
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