Research workbench
Crystal structures of FMS1 in complex with its inhibitors
Analyse Crystal structures of FMS1 in complex with its inhibitors in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BI5
- Type
- protein
- Length
- 996 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, DIA
- Pockets
- 9 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Polyamine oxidase FMS1 (EC 1.5.3.11) | protein | 497 | 36% helix, 21% strand | P50264 |
| B | Polyamine oxidase FMS1 (EC 1.5.3.11) | protein | 499 | 36% helix, 19% strand | P50264 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- DIA · Octane 1,8-diamine · ligand · 2 copies · chains A, 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 | 806 | 0.87 | 0.90 | 102 | FAD, DIA |
| 2 | 767 | 0.87 | 0.90 | 95 | FAD, DIA |
| 3 | 179 | 0.47 | 0.75 | 30 | empty |
| 4 | 153 | 0.45 | 0.75 | 19 | empty |
| 5 | 144 | 0.45 | 0.76 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1498 Ų buried · 21 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 3BI5 · PDBe 3BI5 · UniProt P50264
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