MolNFT v1 · #91000 · protein
Unactivated rubisco with oxygen bound
4F0H · Ribulose bisphosphate carboxylase large chain: “Unactivated rubisco with oxygen bound”. X-ray diffraction, 2 ligands (PO4, OXY), 5 pockets (best druggability 0.60). MolNFT v1 #91000 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4F0H
- Type
- protein
- Length
- 586 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribulose bisphosphate carboxylase large chain; Ribulose bisphosphate carboxylase small…
- EC
- 4.1.1.39
- UniProt
- P23755, P23756
- Ligands
- PO4, OXY
- Pockets
- 5 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribulose bisphosphate carboxylase large chain (EC 4.1.1.39) | protein | 448 | 45% helix, 19% strand | P23755 |
| B | Ribulose bisphosphate carboxylase small chain (EC 4.1.1.39) | protein | 138 | 25% helix, 30% strand | P23756 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 461 | 0.60 | 0.75 | 58 | OXY, PO4 |
| 2 | 341 | 0.57 | 0.76 | 44 | empty |
| 3 | 177 | 0.52 | 0.78 | 26 | empty |
| 4 | 106 | 0.43 | 0.78 | 17 | empty |
| 5 | 98 | 0.42 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1591 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 4F0H · UNACTIVATED RUBISCO with OXYGEN BOUND · the same entry in another collection · chain A against A, TM-score 1.00
- P23756 · AlphaFold monomer V2.0 prediction for ribulose bisphosphate carboxylase small subunit… · a predicted model of the same protein · chain B against A, TM-score 1.00
- P23755 · AlphaFold monomer V2.0 prediction for ribulose bisphosphate carboxylase large chain… · 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 P23755
- Every structure of UniProt P23756
- Elsewhere: RCSB PDB 4F0H · PDBe 4F0H · UniProt P23755 · UniProt P23756
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