MolNFT v1 · #48413 · protein
Crystal structures of the luciferase and green fluorescent protein from renilla reniformis
2PSJ · Renilla-luciferin 2-monooxygenase: “Crystal structures of the luciferase and green fluorescent protein from renilla reniformis”. X-ray diffraction, 1 ligand (CEI), 4 pockets (best druggability 0.80). MolNFT v1 #48413 on GenesisL1…
- PDB
- 2PSJ
- Type
- protein
- Length
- 612 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Renilla-luciferin 2-monooxygenase
- EC
- 1.13.12.5
- UniProt
- P27652
- Ligands
- CEI
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Renilla-luciferin 2-monooxygenase (EC 1.13.12.5) | protein | 306 | 42% helix, 19% strand | P27652 |
Ligands and binding sites
- CEI · N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 555 | 0.80 | 0.85 | 40 | CEI |
| 2 | 569 | 0.79 | 0.84 | 42 | CEI |
| 3 | 465 | 0.62 | 0.76 | 55 | empty |
| 4 | 308 | 0.53 | 0.74 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 414 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 2PSJ · Crystal Structures of the Luciferase and Green Fluorescent Protein from Renilla Reniformis · the same entry in another collection · chain A against A, TM-score 1.00
- P27652 · AlphaFold monomer V2.0 prediction for coelenterazine H 2-monooxygenase (P27652) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P27652
- Elsewhere: RCSB PDB 2PSJ · PDBe 2PSJ · UniProt P27652
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