MolNFT v1 · #178250 · protein
Thrombocorticin Q25K in complex with CA2+
7F9J · Thrombocorticin Q25K mutant: “Thrombocorticin Q25K in complex with CA2+”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.54). MolNFT v1 #178250 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7F9J
- Type
- protein
- Length
- 260 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thrombocorticin Q25K mutant
- Ligands
- CA
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 2% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thrombocorticin Q25K mutant | protein | 130 | 2% helix, 54% strand | — |
| B | Thrombocorticin Q25K mutant | protein | 130 | 2% helix, 52% strand | — |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · 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 | 158 | 0.54 | 0.80 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1428 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 7F9J · Thrombocorticin Q25K in complex with Ca2+ · 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 7F9J · PDBe 7F9J
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