MolNFT v1 · #138989 · protein
Structure of DOTL(656-783)-icms-icmw derived from legionella pneumophila
5X1E: “Structure of DOTL(656-783)-icms-icmw derived from legionella pneumophila”. X-ray diffraction, 7 pockets (best druggability 0.64). MolNFT v1 #138989 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5X1E
- Type
- protein
- Length
- 710 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Icms; Icmw; Icmo (dotl)
- UniProt
- Q5ZYD0, Q5ZS31, Q5ZYC6
- Pockets
- 7 · best druggability 0.64
Structure
x-ray diffraction · 5 distinct chains · 57% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Icms | protein | 110 | 48% helix, 18% strand | Q5ZYD0 |
| B, E | Icmw | protein | 148 | 68% helix, 0% strand | Q5ZS31 |
| C | Icmo (dotl) | protein | 97 | 59% helix, 3% strand | Q5ZYC6 |
| D | Icms | protein | 111 | 49% helix, 18% strand | Q5ZYD0 |
| F | Icmo (dotl) | protein | 96 | 60% helix, 3% strand | Q5ZYC6 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 80 | 0.64 | 0.91 | 19 | empty |
| 2 | 147 | 0.59 | 0.83 | 33 | empty |
| 3 | 176 | 0.58 | 0.81 | 25 | empty |
| 4 | 175 | 0.57 | 0.81 | 41 | empty |
| 5 | 107 | 0.41 | 0.76 | 15 | empty |
Interfaces
9 interfaces between chains.
- E–F · 2545 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 2525 Ų buried · 16 hydrogen bonds · protein-protein
- D–E · 735 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 710 Ų buried · 7 hydrogen bonds · protein-protein
- C–F · 639 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5X1E · Structure of DotL(656-783)-IcmS-IcmW derived from Legionella pneumophila · 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 Q5ZYD0
- Every structure of UniProt Q5ZS31
- Every structure of UniProt Q5ZYC6
- Elsewhere: RCSB PDB 5X1E · PDBe 5X1E · UniProt Q5ZYD0 · UniProt Q5ZS31 · UniProt Q5ZYC6
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