Research workbench
Crystal structure of FMS1 in complex with S-N1-acmespermidine
Analyse Crystal structure of FMS1 in complex with S-N1-acmespermidine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CNP
- Type
- protein
- Length
- 992 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FMS1
- EC
- 1.5.3.11
- UniProt
- P50264
- Ligands
- FAD, SP7
- Pockets
- 10 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | FMS1 (EC 1.5.3.11) | protein | 499 | 36% helix, 21% strand | P50264 |
| A | FMS1 (EC 1.5.3.11) | protein | 493 | 38% helix, 21% strand | P50264 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains B, A
- SP7 · N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}acetamide · ligand · 2 copies · chains B, A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 649 | 0.88 | 0.92 | 93 | FAD, SP7 |
| 2 | 494 | 0.86 | 0.92 | 73 | FAD, SP7, GOL |
| 3 | 199 | 0.48 | 0.75 | 26 | empty |
| 4 | 165 | 0.46 | 0.76 | 28 | empty |
| 5 | 157 | 0.44 | 0.75 | 21 | empty |
Interfaces
1 interface between chains.
- B–A · 1585 Ų buried · 20 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 3CNP · PDBe 3CNP · UniProt P50264
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