MolNFT v1 · #6824 · protein
Crystal structure of RAC1 in complex with the guanine nucleotide exchange region of TIAM1
1FOE · T-lymphoma invasion and metastasis inducing protein 1: “Crystal structure of RAC1 in complex with the guanine nucleotide exchange region of TIAM1”. X-ray diffraction, 1 ligand (SO4), 20 pockets (best druggability 0.78). MolNFT v1…
- 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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