MolNFT v1 · #94655 · protein
Crystal structure of the bacillus stearothermophilus phosphofructokinase mutant D12A
4I36 · 6-phosphofructokinase: “Crystal structure of the bacillus stearothermophilus phosphofructokinase mutant D12A”. X-ray diffraction, 17 pockets (best druggability 0.85). MolNFT v1 #94655 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4I36
- Type
- protein
- Length
- 1,275 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-phosphofructokinase
- EC
- 2.7.1.11
- UniProt
- P00512
- Pockets
- 17 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 6-phosphofructokinase (EC 2.7.1.11) | protein | 318 | 45% helix, 20% strand | P00512 |
| B, C, D | 6-phosphofructokinase (EC 2.7.1.11) | protein | 319 | 45% helix, 19% strand | P00512 |
Pockets
17 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 892 | 0.85 | 0.87 | 79 | empty |
| 2 | 132 | 0.80 | 0.97 | 25 | empty |
| 3 | 140 | 0.80 | 0.96 | 23 | empty |
| 4 | 704 | 0.71 | 0.78 | 78 | empty |
| 5 | 441 | 0.63 | 0.77 | 46 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2268 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 2135 Ų buried · 21 hydrogen bonds · protein-protein
- A–D · 1305 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1226 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 85 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4I36 · Crystal Structure of the Bacillus stearothermophilus Phosphofructokinase Mutant D12A · the same entry in another collection · chain A against A, TM-score 1.00
- P00512 · AlphaFold monomer V2.0 prediction for ATP-dependent 6-phosphofructokinase (P00512) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00512
- Elsewhere: RCSB PDB 4I36 · PDBe 4I36 · UniProt P00512
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