MolNFT v1 · #110112 · protein
Crystal structure of MET260ALA mutant of E. COLI aminopeptidase N in complex with L-alanine
4XMU: “Crystal structure of MET260ALA mutant of E. COLI aminopeptidase N in complex with L-alanine”. X-ray diffraction, 3 ligands (ALA, NA, ZN), 9 pockets (best druggability 0.85). MolNFT v1 #110112 on GenesisL1: 3D structure, binding…
- PDB
- 4XMU
- Type
- protein
- Length
- 866 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminopeptidase N
- EC
- 3.4.11.2
- UniProt
- P04825
- Ligands
- ALA, NA, ZN
- Pockets
- 9 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminopeptidase N (EC 3.4.11.2) | protein | 866 | 45% helix, 22% strand | P04825 |
Ligands and binding sites
- ALA · Alanine · ligand · chains A
- NA · Sodium ion · metal · 3 copies · chains A
- ZN · Zinc ion · metal · chains A
- GOL · Glycerol · additive · chains A
- MLI · Malonate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 877 | 0.85 | 0.87 | 111 | ZN, ALA |
| 2 | 323 | 0.72 | 0.85 | 39 | GOL |
| 3 | 504 | 0.65 | 0.77 | 57 | empty |
| 4 | 138 | 0.64 | 0.87 | 24 | MLI |
| 5 | 52 | 0.41 | 0.83 | 12 | empty |
Compared structures
- 4XMU · Crystal Structure of Met260Ala mutant of E. coli Aminopeptidase N in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P04825 · AlphaFold monomer V2.0 prediction for aminopeptidase N (P04825) · 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 P04825
- Elsewhere: RCSB PDB 4XMU · PDBe 4XMU · UniProt P04825
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