Research workbench
Bthtx-II variant B, from bothrops jararacussu venom, complexed with stearic acid
Analyse Bthtx-II variant B, from bothrops jararacussu venom, complexed with stearic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7RJI
- Type
- protein
- Length
- 122 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bthtx-iib
- EC
- 3.1.1.4
- Ligands
- STE, NA, SO4
- Pockets
- 1 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bthtx-iib (EC 3.1.1.4) | protein | 122 | 48% helix, 9% strand | — |
Ligands and binding sites
- STE · Stearic acid · ligand · chains A
- NA · Sodium ion · metal · chains A
- SO4 · Sulfate ion · ion · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 155 | 0.49 | 0.78 | 21 | STE |
Modifications
Observed in the structure: 7 disulfide (disulfide).
Compared structures
- 7RJI · BthTX-II variant b, from Bothrops jararacussu venom, complexed with stearic acid · 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 7RJI · PDBe 7RJI
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