MolNFT v1 · #165295 · protein
The structure of ABC transporter RV1819C in AMP-pnp bound state
6TQF · ABC transporter ATP-binding PROTEIN/PERMEASE: “The structure of ABC transporter RV1819C in AMP-pnp bound state”. Electron microscopy, 2 ligands (ANP, MG), 19 pockets (best druggability 0.87). MolNFT v1 #165295 on GenesisL1: 3D…
- PDB
- 6TQF
- Type
- protein
- Length
- 1,268 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter ATP-binding PROTEIN/PERMEASE
- UniProt
- A0A045ITS3
- Ligands
- ANP, MG
- Pockets
- 19 · best druggability 0.87
Structure
electron microscopy · 1 distinct chain · 35% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | ABC transporter ATP-binding PROTEIN/PERMEASE | protein | 634 | 35% helix, 8% strand | A0A045ITS3 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- LMT · Dodecyl-beta-D-maltoside · additive · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1040 | 0.87 | 0.88 | 119 | ANP, MG |
| 2 | 923 | 0.81 | 0.83 | 82 | empty |
| 3 | 848 | 0.79 | 0.81 | 58 | LMT |
| 4 | 793 | 0.78 | 0.81 | 59 | LMT |
| 5 | 60 | 0.72 | 0.96 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 6967 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 6TQF · The structure of ABC transporter Rv1819c in AMP-PNP bound state · 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 A0A045ITS3
- Elsewhere: RCSB PDB 6TQF · PDBe 6TQF · UniProt A0A045ITS3
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