MolNFT v1 · #39580 · protein
Multidrug ABC transporter SAV1866
2HYD · ABC transporter homolog: “Multidrug ABC transporter SAV1866”. X-ray diffraction, 2 ligands (ADP, NA), 14 pockets (best druggability 0.89). MolNFT v1 #39580 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2HYD
- Type
- protein
- Length
- 1,156 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter homolog
- UniProt
- Q99T13
- Ligands
- ADP, NA
- Pockets
- 14 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | ABC transporter homolog | protein | 578 | 65% helix, 10% strand | Q99T13 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 978 | 0.89 | 0.91 | 121 | ADP |
| 2 | 779 | 0.78 | 0.82 | 93 | empty |
| 3 | 149 | 0.77 | 0.95 | 22 | empty |
| 4 | 67 | 0.69 | 0.95 | 23 | empty |
| 5 | 77 | 0.66 | 0.92 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 7200 Ų buried · 59 hydrogen bonds · protein-protein
Compared structures
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 Q99T13
- Elsewhere: RCSB PDB 2HYD · PDBe 2HYD · UniProt Q99T13
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