MolNFT v1 · #15447 · protein
Aminopeptidase P in complex with the inhibitor apstatin
1N51 · Xaa-pro aminopeptidase: “Aminopeptidase P in complex with the inhibitor apstatin”. X-ray diffraction, 3 ligands (01B, MN, NH2), 3 pockets (best druggability 0.44). MolNFT v1 #15447 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1N51
- Type
- protein
- Length
- 443 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xaa-pro aminopeptidase; Apstatin
- EC
- 3.4.11.9
- UniProt
- P15034
- Ligands
- 01B, MN, NH2
- Pockets
- 3 · best druggability 0.44
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xaa-pro aminopeptidase (EC 3.4.11.9) | protein | 440 | 41% helix, 19% strand | P15034 |
| B | Apstatin | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- 01B · (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid · ligand · chains A, B
- MN · Manganese (II) ion · metal · 3 copies · chains A
- NH2 · Amino group · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 129 | 0.44 | 0.76 | 19 | empty |
| 2 | 95 | 0.37 | 0.75 | 20 | empty |
| 3 | 59 | 0.28 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 251 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
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 P15034
- Elsewhere: RCSB PDB 1N51 · PDBe 1N51 · UniProt P15034
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