MolNFT v1 · #21217 · protein
Crystal structure of a CA2+-discharged photoprotein: implications for the mechanisms of the calcium trigger and the bioluminescence
1S36 · Obelin: “Crystal structure of a CA2+-discharged photoprotein: implications for the mechanisms of the calcium trigger…”. X-ray diffraction, 3 ligands (CEI, NA, CL), 1 pocket (best druggability 0.85). MolNFT v1 #21217 on GenesisL1: 3D…
- PDB
- 1S36
- Type
- protein
- Length
- 185 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Obelin
- UniProt
- Q27709
- Ligands
- CEI, NA, CL
- Pockets
- 1 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Obelin | protein | 185 | 61% helix, 5% strand | Q27709 |
Ligands and binding sites
- CEI · N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide · ligand · chains A
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 232 | 0.85 | 0.97 | 30 | CEI |
Compared structures
- 1S36 · Crystal structure of a Ca2+-discharged photoprotein: Implications for the mechanisms of… · the same entry in another collection · chain A against A, TM-score 1.00
- Q27709 · AlphaFold monomer V2.0 prediction for obelin (Q27709) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q27709
- Elsewhere: RCSB PDB 1S36 · PDBe 1S36 · UniProt Q27709
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