MolNFT v1 · #17927 · protein
A four location model to explain the stereospecificity of proteins.
1P8F · Isocitrate dehydrogenase [NADP]: “A four location model to explain the stereospecificity of proteins.”. X-ray diffraction, 3 ligands (ICT, MG, SO4), 3 pockets (best druggability 0.65). MolNFT v1 #17927 on GenesisL1: 3D structure…
- PDB
- 1P8F
- Type
- protein
- Length
- 416 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isocitrate dehydrogenase [NADP]
- EC
- 1.1.1.42
- UniProt
- P08200
- Ligands
- ICT, MG, SO4
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isocitrate dehydrogenase [NADP] (EC 1.1.1.42) | protein | 416 | 40% helix, 18% strand | P08200 |
Ligands and binding sites
- ICT · Isocitric acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 474 | 0.65 | 0.77 | 49 | GOL |
| 2 | 109 | 0.42 | 0.78 | 29 | MG, ICT |
| 3 | 107 | 0.42 | 0.77 | 21 | empty |
Compared structures
- 1P8F · A four location model to explain the stereospecificity of proteins. · the same entry in another collection · chain A against A, TM-score 1.00
- P08200 · AlphaFold monomer V2.0 prediction for isocitrate dehydrogenase [NADP] (P08200) · a predicted model of the same protein · 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 P08200
- Elsewhere: RCSB PDB 1P8F · PDBe 1P8F · UniProt P08200
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