MolNFT v1 · #49830 · protein
Chromopyrrolic acid-soaked rebc with bound 7-carboxy-K252C
2R0G: “Chromopyrrolic acid-soaked rebc with bound 7-carboxy-K252C”. X-ray diffraction, 2 ligands (FAD, 7CK), 11 pockets (best druggability 0.84). MolNFT v1 #49830 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2R0G
- Type
- protein
- Length
- 1,040 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rebc
- UniProt
- Q8KI25
- Ligands
- FAD, 7CK
- Pockets
- 11 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rebc | protein | 522 | 31% helix, 25% strand | Q8KI25 |
| B | Rebc | protein | 518 | 32% helix, 24% strand | Q8KI25 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- 7CK · 7-carboxy-5-hydroxy-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1056 | 0.84 | 0.85 | 109 | FAD, 7CK |
| 2 | 1117 | 0.82 | 0.83 | 107 | FAD, 7CK |
| 3 | 95 | 0.76 | 0.97 | 25 | empty |
| 4 | 91 | 0.75 | 0.97 | 21 | empty |
| 5 | 385 | 0.62 | 0.77 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 296 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2R0G · Chromopyrrolic acid-soaked RebC with bound 7-carboxy-K252c · 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 Q8KI25
- Elsewhere: RCSB PDB 2R0G · PDBe 2R0G · UniProt Q8KI25
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