MolNFT v1 · #60292 · protein
Crystal structure of FMS1 in complex with N1-acspermine
3CND · Polyamine oxidase FMS1: “Crystal structure of FMS1 in complex with N1-acspermine”. X-ray diffraction, 2 ligands (FAD, SP5), 9 pockets (best druggability 0.88). MolNFT v1 #60292 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3CND
- Type
- protein
- Length
- 993 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Polyamine oxidase FMS1
- EC
- 1.5.3.11
- UniProt
- P50264
- Ligands
- FAD, SP5
- Pockets
- 9 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Polyamine oxidase FMS1 (EC 1.5.3.11) | protein | 499 | 36% helix, 18% strand | P50264 |
| A | Polyamine oxidase FMS1 (EC 1.5.3.11) | protein | 494 | 37% helix, 21% strand | P50264 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains B, A
- SP5 · N-[3-({4-[(3-aminopropyl)amino]butyl}amino) propyl]acetamide · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 631 | 0.88 | 0.92 | 97 | FAD, SP5 |
| 2 | 515 | 0.87 | 0.93 | 83 | FAD |
| 3 | 207 | 0.49 | 0.75 | 25 | empty |
| 4 | 142 | 0.43 | 0.76 | 22 | empty |
| 5 | 147 | 0.42 | 0.75 | 21 | empty |
Interfaces
1 interface between chains.
- B–A · 1589 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
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 P50264
- Elsewhere: RCSB PDB 3CND · PDBe 3CND · UniProt P50264
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