MolNFT v1 · #160038 · protein
Structure of P. aeruginosa ATCC27853 HORMA1:HORMA2:PEPTIDE 1 complex
6P8S · Horma domain containing protein: “Structure of P. aeruginosa ATCC27853 HORMA1:HORMA2:PEPTIDE 1 complex”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.60). MolNFT v1 #160038 on GenesisL1: 3D structure, binding…
- PDB
- 6P8S
- Type
- protein
- Length
- 603 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Horma domain containing protein; HORMA1; Peptide 1
- UniProt
- Q8GQ50, A0A0F6RRN7
- Ligands
- CL
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Horma domain containing protein | protein | 162 | 31% helix, 36% strand | Q8GQ50 |
| C, D | HORMA1 | protein | 132 | 38% helix, 23% strand | A0A0F6RRN7 |
| E | Peptide 1 | protein | 7 | 0% helix, 57% strand | — |
| F | Peptide 1 | protein | 8 | 0% helix, 50% strand | — |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A
- 1PE · Pentaethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 190 | 0.60 | 0.82 | 39 | empty |
| 2 | 151 | 0.46 | 0.77 | 37 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1028 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 984 Ų buried · 12 hydrogen bonds · protein-protein
- B–F · 703 Ų buried · 12 hydrogen bonds · protein-protein
- A–E · 657 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 439 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6P8S · Structure of P. aeruginosa ATCC27853 HORMA1:HORMA2:Peptide 1 complex · 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 Q8GQ50
- Every structure of UniProt A0A0F6RRN7
- Elsewhere: RCSB PDB 6P8S · PDBe 6P8S · UniProt Q8GQ50 · UniProt A0A0F6RRN7
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