MolNFT v1 · #152209 · protein
T. brucei IFT22/74/81 GTP-bound crystal structure
6IAN · Intraflagellar transport protein 74: “T. brucei IFT22/74/81 GTP-bound crystal structure”. X-ray diffraction, 2 ligands (GTP, MG), 20 pockets (best druggability 0.74). MolNFT v1 #152209 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6IAN
- Type
- protein
- Length
- 1,633 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Intraflagellar transport protein 74; Intraflagellar transport protein 81; Rab-like 5
- UniProt
- Q57WF2, Q38BY1, A0A3L6KZ98
- Ligands
- GTP, MG
- Pockets
- 20 · best druggability 0.74
Structure
x-ray diffraction · 5 distinct chains · 80% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Intraflagellar transport protein 74 | protein | 306 | 94% helix, 0% strand | Q57WF2 |
| C | Intraflagellar transport protein 81 | protein | 432 | 82% helix, 0% strand | Q38BY1 |
| B | Intraflagellar transport protein 74 | protein | 306 | 93% helix, 0% strand | Q57WF2 |
| D | Intraflagellar transport protein 81 | protein | 422 | 80% helix, 0% strand | Q38BY1 |
| E | Rab-like 5 | protein | 167 | 25% helix, 20% strand | A0A3L6KZ98 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 570 | 0.74 | 0.81 | 85 | GTP |
| 2 | 401 | 0.73 | 0.84 | 39 | empty |
| 3 | 401 | 0.73 | 0.84 | 42 | empty |
| 4 | 607 | 0.69 | 0.78 | 51 | empty |
| 5 | 267 | 0.69 | 0.84 | 38 | empty |
Interfaces
6 interfaces between chains.
- A–C · 8579 Ų buried · 48 hydrogen bonds · protein-protein
- B–D · 8447 Ų buried · 50 hydrogen bonds · protein-protein
- D–E · 449 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 375 Ų buried · 2 hydrogen bonds · protein-protein
- B–E · 310 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 modified, 1 covalent (engineered, covalent ligand).
Compared structures
- 6IAN · T. brucei IFT22/74/81 GTP-bound crystal structure · 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 Q57WF2
- Every structure of UniProt Q38BY1
- Every structure of UniProt A0A3L6KZ98
- Elsewhere: RCSB PDB 6IAN · PDBe 6IAN · UniProt Q57WF2 · UniProt Q38BY1 · UniProt A0A3L6KZ98
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