Research workbench
MSP1 (E214Q)-substrate complex
Analyse MSP1 (E214Q)-substrate complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6PE0
- Type
- protein
- Length
- 1,672 residues
- Chains
- 7
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Membrane-spanning ATPase-like protein; Unknown E. COLI peptide
- UniProt
- G0S654
- Ligands
- ATP, MG
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 7 distinct chains · 42% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | Membrane-spanning ATPase-like protein | protein | 248 | 36% helix, 10% strand | G0S654 |
| A | Membrane-spanning ATPase-like protein | protein | 262 | 44% helix, 6% strand | G0S654 |
| B | Membrane-spanning ATPase-like protein | protein | 282 | 43% helix, 7% strand | G0S654 |
| C | Membrane-spanning ATPase-like protein | protein | 298 | 44% helix, 9% strand | G0S654 |
| D | Membrane-spanning ATPase-like protein | protein | 293 | 39% helix, 9% strand | G0S654 |
| E | Membrane-spanning ATPase-like protein | protein | 279 | 46% helix, 8% strand | G0S654 |
| G | Unknown E. COLI peptide | protein | 10 | 0% helix, 30% strand | — |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 5 copies · chains A, B, C, D, E, F
- MG · Magnesium ion · metal · 5 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1084 | 0.85 | 0.86 | 111 | ATP |
| 2 | 1099 | 0.84 | 0.85 | 102 | ATP, MG |
| 3 | 1134 | 0.84 | 0.85 | 112 | ATP, MG |
| 4 | 961 | 0.84 | 0.85 | 95 | ATP, MG |
| 5 | 599 | 0.81 | 0.86 | 62 | ATP, MG |
Interfaces
14 interfaces between chains.
- D–E · 2298 Ų buried · 25 hydrogen bonds · protein-protein
- B–C · 2261 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 2211 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 2145 Ų buried · 18 hydrogen bonds · protein-protein
- F–E · 1917 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6PE0 · Msp1 (E214Q)-substrate complex · the same entry in another collection · chain F against F, 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 G0S654
- Elsewhere: RCSB PDB 6PE0 · PDBe 6PE0 · UniProt G0S654
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