Research workbench
Heme exporter hrtba in complex with mg-amppnp
Analyse Heme exporter hrtba in complex with mg-amppnp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7W78
- Type
- protein
- Length
- 562 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ABC transport system, ATP-binding protein; Putative ABC transport system…
- UniProt
- Q6NEF2, Q6NEF1
- Ligands
- MYZ, ANP, D12, MG
- Pockets
- 4 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative ABC transport system, ATP-binding protein | protein | 218 | 34% helix, 28% strand | Q6NEF2 |
| B | Putative ABC transport system integral membrane protein | protein | 344 | 54% helix, 19% strand | Q6NEF1 |
Ligands and binding sites
- MYZ · Myristoleic acid · ligand · 2 copies · chains B
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- D12 · Dodecane · ligand · chains B
- MG · Magnesium ion · metal · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.52 | 0.79 | 23 | empty |
| 2 | 156 | 0.49 | 0.77 | 15 | empty |
| 3 | 66 | 0.43 | 0.81 | 17 | ACT |
| 4 | 71 | 0.37 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1132 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 7W78 · Heme exporter HrtBA in complex with Mg-AMPPNP · the same entry in another collection · chain B against B, 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 Q6NEF2
- Every structure of UniProt Q6NEF1
- Elsewhere: RCSB PDB 7W78 · PDBe 7W78 · UniProt Q6NEF2 · UniProt Q6NEF1
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