Research workbench
Crystal structure of RAC1 in complex with the guanine nucleotide exchange region of TIAM1
Analyse Crystal structure of RAC1 in complex with the guanine nucleotide exchange… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1FOE
- Type
- protein
- Length
- 2,176 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- T-lymphoma invasion and metastasis inducing protein 1; RAS-related C3 botulinum toxin…
- UniProt
- Q60610, P63000
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 53% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | T-lymphoma invasion and metastasis inducing protein 1 | protein | 368 | 55% helix, 13% strand | Q60610 |
| B, D, F, H | RAS-related C3 botulinum toxin substrate | protein | 177 | 37% helix, 22% strand | P63000 |
| C | T-lymphoma invasion and metastasis inducing protein 1 | protein | 366 | 54% helix, 14% strand | Q60610 |
| E, G | T-lymphoma invasion and metastasis inducing protein 1 | protein | 367 | 56% helix, 13% strand | Q60610 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains B, D, F, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 613 | 0.78 | 0.84 | 79 | empty |
| 2 | 382 | 0.73 | 0.84 | 57 | empty |
| 3 | 508 | 0.66 | 0.77 | 34 | empty |
| 4 | 241 | 0.65 | 0.83 | 45 | empty |
| 5 | 782 | 0.65 | 0.74 | 66 | empty |
Interfaces
14 interfaces between chains.
- A–B · 1618 Ų buried · 29 hydrogen bonds · protein-protein
- E–F · 1565 Ų buried · 25 hydrogen bonds · protein-protein
- G–H · 1565 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 1485 Ų buried · 22 hydrogen bonds · protein-protein
- C–G · 1379 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 1FOE · Crystal structure of RAC1 in complex with the guanine nucleotide exchange region of TIAM1 · the same entry in another collection · chain H against H, TM-score 1.00
- Q60610 · AlphaFold monomer V2.0 prediction for T-lymphoma invasion and metastasis-inducing protein… · a predicted model of the same protein · chain A against A, TM-score 0.98
- P63000 · AlphaFold monomer V2.0 prediction for RAS-related C3 botulinum toxin substrate 1 (P63000) · a predicted model of the same protein · chain B against A, TM-score 0.94
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 Q60610
- Every structure of UniProt P63000
- Elsewhere: RCSB PDB 1FOE · PDBe 1FOE · UniProt Q60610 · UniProt P63000
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