MolNFT v1 · #41293 · protein
Photosynthetic reaction center mutant with ala M248 replaced with TRP (chain M, AM248W)
2JJ0 · Reaction center protein H chain: “Photosynthetic reaction center mutant with ala M248 replaced with TRP (chain M, AM248W)”. X-ray diffraction, 7 ligands (BCL, BPH, U10), 13 pockets (best druggability 0.83). MolNFT v1 #41293 on…
- PDB
- 2JJ0
- Type
- protein
- Length
- 817 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Reaction center protein H chain; Reaction center protein L chain; Reaction center protein…
- UniProt
- P0C0Y7, P0C0Y8, P0C0Y9
- Ligands
- BCL, BPH, U10, CDL, SPN, FE, CL
- Pockets
- 13 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 52% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Reaction center protein H chain | protein | 235 | 23% helix, 26% strand | P0C0Y7 |
| L | Reaction center protein L chain | protein | 281 | 63% helix, 4% strand | P0C0Y8 |
| M | Reaction center protein M chain | protein | 301 | 63% helix, 4% strand | P0C0Y9 |
Ligands and binding sites
- BCL · Bacteriochlorophyll A · ligand · 4 copies · chains L, M
- BPH · Bacteriopheophytin A · ligand · 2 copies · chains L, M
- U10 · Ubiquinone-10 · ligand · chains L
- CDL · Cardiolipin · ligand · chains H, L, M
- SPN · Speroidenone · ligand · chains M
- FE · Fe (III) ion · metal · chains L, M
- CL · Chloride ion · ion · chains M
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 915 | 0.83 | 0.85 | 84 | BCL |
| 2 | 99 | 0.75 | 0.96 | 32 | empty |
| 3 | 148 | 0.62 | 0.85 | 28 | U10 |
| 4 | 180 | 0.60 | 0.82 | 38 | empty |
| 5 | 73 | 0.57 | 0.87 | 16 | CL |
Interfaces
3 interfaces between chains.
- L–M · 4539 Ų buried · 76 hydrogen bonds · protein-protein
- H–M · 2806 Ų buried · 39 hydrogen bonds · protein-protein
- H–L · 1623 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 2JJ0 · Photosynthetic reaction center mutant with ala M248 replaced with TRP (chain M, AM248W) · the same entry in another collection · chain L against L, 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 P0C0Y7
- Every structure of UniProt P0C0Y8
- Every structure of UniProt P0C0Y9
- Elsewhere: RCSB PDB 2JJ0 · PDBe 2JJ0 · UniProt P0C0Y7 · UniProt P0C0Y8 · UniProt P0C0Y9
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