MolNFT v1 · #108255 · protein
Crystal structure of a mycobacterial ATP synthase rotor ring in complex with bedaquiline
4V1F · F0F1 ATP synthase subunit C: “Crystal structure of a mycobacterial ATP synthase rotor ring in complex with bedaquiline”. X-ray diffraction, 1 ligand (BQ1). MolNFT v1 #108255 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4V1F
- Type
- protein
- Length
- 257 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- F0F1 ATP synthase subunit C
- EC
- 3.6.3.14
- UniProt
- I0RTF3
- Ligands
- BQ1
Structure
x-ray diffraction · 2 distinct chains · 86% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | F0F1 ATP synthase subunit C (EC 3.6.3.14) | protein | 86 | 87% helix, 0% strand | I0RTF3 |
| B | F0F1 ATP synthase subunit C (EC 3.6.3.14) | protein | 85 | 85% helix, 0% strand | I0RTF3 |
Ligands and binding sites
- BQ1 · Bedaquiline · ligand · 3 copies · chains A, B, C
- BOG · octyl beta-D-glucopyranoside · additive · 5 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Interfaces
2 interfaces between chains.
- B–C · 1823 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1732 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4V1F · Crystal structure of a mycobacterial ATP synthase rotor ring in complex with Bedaquiline · 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 I0RTF3
- Elsewhere: RCSB PDB 4V1F · PDBe 4V1F · UniProt I0RTF3
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