MolNFT v1 · #10595 · protein
Rubisco from galdieria partita
1IWA · Ribulose-1,5-bisphosphate CARBOXYLASE/OXYGENASE large…: “Rubisco from galdieria partita”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.84). MolNFT v1 #10595 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1IWA
- Type
- protein
- Length
- 4,888 residues
- Chains
- 16
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribulose-1,5-bisphosphate CARBOXYLASE/OXYGENASE large subunit; Ribulose-1,5-bisphosphate…
- EC
- 4.1.1.39
- UniProt
- O98949, O98950
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K, M, O | Ribulose-1,5-bisphosphate CARBOXYLASE/OXYGENASE large subunit (EC 4.1.1.39) | protein | 473 | 41% helix, 17% strand | O98949 |
| B, D, F, H, J, L, N, P | Ribulose-1,5-bisphosphate CARBOXYLASE/OXYGENASE small subunit (EC 4.1.1.39) | protein | 138 | 24% helix, 30% strand | O98950 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 8 copies · chains A, I, C, O, E, M, G, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 172 | 0.84 | 0.99 | 24 | empty |
| 2 | 159 | 0.84 | 0.99 | 24 | empty |
| 3 | 164 | 0.84 | 0.99 | 24 | empty |
| 4 | 167 | 0.83 | 0.98 | 25 | empty |
| 5 | 229 | 0.83 | 0.96 | 50 | SO4 |
Interfaces
56 interfaces between chains.
- E–M · 4773 Ų buried · 85 hydrogen bonds · protein-protein
- C–O · 4754 Ų buried · 77 hydrogen bonds · protein-protein
- G–K · 4751 Ų buried · 77 hydrogen bonds · protein-protein
- A–I · 4750 Ų buried · 85 hydrogen bonds · protein-protein
- B–G · 1594 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 1IWA · Rubisco from galdieria partita · 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 O98949
- Every structure of UniProt O98950
- Elsewhere: RCSB PDB 1IWA · PDBe 1IWA · UniProt O98949 · UniProt O98950
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