MolNFT v1 · #112125 · protein
Phototoxic fluorescent protein mkillerorange
4ZBL · Photosesitizer mkillerorange: “Phototoxic fluorescent protein mkillerorange”. X-ray diffraction, 1 ligand (4M9), 2 pockets (best druggability 0.82). MolNFT v1 #112125 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4ZBL
- Type
- protein
- Length
- 225 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Photosesitizer mkillerorange
- Ligands
- 4M9
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Photosesitizer mkillerorange | protein | 225 | 7% helix, 53% strand | — |
Ligands and binding sites
- 4M9 · (4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 170 | 0.82 | 0.97 | 40 | 4M9, GOL |
| 2 | 50 | 0.29 | 0.76 | 15 | empty |
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 4ZBL · Phototoxic fluorescent protein mKillerOrange · 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
- Elsewhere: RCSB PDB 4ZBL · PDBe 4ZBL
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