MolNFT v1 · #49839 · protein
K252C-soaked rebc
2R0P: “K252C-soaked rebc”. X-ray diffraction, 3 ligands (FAD, K2C, CL), 4 pockets (best druggability 0.83). MolNFT v1 #49839 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2R0P
- Type
- protein
- Length
- 512 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rebc
- UniProt
- Q8KI25
- Ligands
- FAD, K2C, CL
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rebc | protein | 512 | 33% helix, 26% strand | Q8KI25 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- K2C · 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one · ligand · chains A
- CL · Chloride ion · ion · chains A
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 | 1152 | 0.83 | 0.84 | 119 | FAD, K2C |
| 2 | 149 | 0.69 | 0.89 | 30 | empty |
| 3 | 95 | 0.38 | 0.76 | 25 | empty |
| 4 | 50 | 0.31 | 0.76 | 13 | empty |
Compared structures
- 2R0P · K252c-soaked RebC · 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 2R0P · PDBe 2R0P · UniProt Q8KI25
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