MolNFT v1 · #114522 · protein
Crystal structure of rbcx-iia from chlamydomonas reinhardtii
5BS1 · Crrbcx-iia: “Crystal structure of rbcx-iia from chlamydomonas reinhardtii”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.69). MolNFT v1 #114522 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5BS1
- Type
- protein
- Length
- 471 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crrbcx-iia
- UniProt
- A8HQH2
- Ligands
- MG
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Crrbcx-iia | protein | 118 | 81% helix, 0% strand | A8HQH2 |
| B | Crrbcx-iia | protein | 117 | 74% helix, 0% strand | A8HQH2 |
| C | Crrbcx-iia | protein | 115 | 82% helix, 0% strand | A8HQH2 |
| D | Crrbcx-iia | protein | 121 | 73% helix, 0% strand | A8HQH2 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 384 | 0.69 | 0.81 | 56 | empty |
| 2 | 211 | 0.62 | 0.82 | 31 | empty |
| 3 | 141 | 0.45 | 0.76 | 19 | empty |
| 4 | 61 | 0.27 | 0.73 | 15 | empty |
Interfaces
5 interfaces between chains.
- A–B · 2295 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 2274 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 589 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 436 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 387 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 38 modified (engineered).
Compared structures
- 5BS1 · Crystal structure of RbcX-IIa from Chlamydomonas reinhardtii · 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 A8HQH2
- Elsewhere: RCSB PDB 5BS1 · PDBe 5BS1 · UniProt A8HQH2
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