MolNFT v1 · #129291 · protein
Crystal structure of leishmania major fructose-1,6-bisphosphatase in T-state.
5OFU · Fbp protein: “Crystal structure of leishmania major fructose-1,6-bisphosphatase in T-state.”. X-ray diffraction, 3 ligands (AMP, F6P, CL), 17 pockets (best druggability 0.82). MolNFT v1 #129291 on GenesisL1: 3D structure, binding…
- PDB
- 5OFU
- Type
- protein
- Length
- 1,282 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fbp protein
- EC
- 3.1.3.11
- UniProt
- O97193
- Ligands
- AMP, F6P, CL
- Pockets
- 17 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fbp protein (EC 3.1.3.11) | protein | 322 | 38% helix, 24% strand | O97193 |
| C | Fbp protein (EC 3.1.3.11) | protein | 317 | 37% helix, 24% strand | O97193 |
| D | Fbp protein (EC 3.1.3.11) | protein | 321 | 38% helix, 24% strand | O97193 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 4 copies · chains A, B, C, D
- F6P · 6-O-phosphono-beta-D-fructofuranose · ligand · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 2 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 276 | 0.82 | 0.93 | 45 | empty |
| 2 | 310 | 0.63 | 0.79 | 31 | empty |
| 3 | 209 | 0.54 | 0.78 | 31 | F6P |
| 4 | 234 | 0.54 | 0.77 | 29 | empty |
| 5 | 188 | 0.53 | 0.78 | 32 | F6P |
Interfaces
6 interfaces between chains.
- C–D · 2443 Ų buried · 44 hydrogen bonds · protein-protein
- A–B · 2440 Ų buried · 43 hydrogen bonds · protein-protein
- B–C · 1195 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 1028 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 451 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5OFU · Crystal structure of Leishmania major fructose-1,6-bisphosphatase in T-state. · the same entry in another collection · 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 O97193
- Elsewhere: RCSB PDB 5OFU · PDBe 5OFU · UniProt O97193
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