MolNFT v1 · #92646 · protein
Crystal structure of biogenic amine binding protein from rhodnius prolixus
4GET · Biogenic amine-binding protein: “Crystal structure of biogenic amine binding protein from rhodnius prolixus”. X-ray diffraction, 11 pockets (best druggability 0.76). MolNFT v1 #92646 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4GET
- Type
- protein
- Length
- 776 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Biogenic amine-binding protein
- UniProt
- Q86PT9
- Pockets
- 11 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 21% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Biogenic amine-binding protein | protein | 195 | 21% helix, 42% strand | Q86PT9 |
| B, D | Biogenic amine-binding protein | protein | 194 | 21% helix, 40% strand | Q86PT9 |
| C | Biogenic amine-binding protein | protein | 193 | 21% helix, 40% strand | Q86PT9 |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 687 | 0.76 | 0.81 | 84 | empty |
| 2 | 308 | 0.70 | 0.83 | 37 | TRS |
| 3 | 214 | 0.69 | 0.86 | 29 | TRS |
| 4 | 211 | 0.69 | 0.86 | 28 | TRS |
| 5 | 223 | 0.68 | 0.85 | 32 | TRS |
Interfaces
5 interfaces between chains.
- C–D · 676 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 636 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 285 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 230 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 179 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 4GET · Crystal structure of biogenic amine binding protein from Rhodnius prolixus · 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
- Every structure of UniProt Q86PT9
- Elsewhere: RCSB PDB 4GET · PDBe 4GET · UniProt Q86PT9
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