MolNFT v1 · #90416 · protein
Native and K252C bound rebc-10X
4EIP · Putative FAD-monooxygenase: “Native and K252C bound rebc-10X”. X-ray diffraction, 2 ligands (FAD, K2C), 10 pockets (best druggability 0.82). MolNFT v1 #90416 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4EIP
- Type
- protein
- Length
- 1,031 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative FAD-monooxygenase
- UniProt
- Q8KI25
- Ligands
- FAD, K2C
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative FAD-monooxygenase | protein | 521 | 32% helix, 25% strand | Q8KI25 |
| B | Putative FAD-monooxygenase | protein | 510 | 30% helix, 25% strand | Q8KI25 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- K2C · 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1134 | 0.82 | 0.83 | 110 | FAD |
| 2 | 1087 | 0.81 | 0.82 | 102 | K2C, FAD |
| 3 | 110 | 0.77 | 0.97 | 24 | empty |
| 4 | 457 | 0.66 | 0.78 | 37 | empty |
| 5 | 136 | 0.41 | 0.75 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 277 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4EIP · Native and K252c bound RebC-10x · 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 4EIP · PDBe 4EIP · UniProt Q8KI25
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