MolNFT v1 · #93342 · protein
Crystal structure of RAC1 Q61L mutant
4GZL · RAS-related C3 botulinum toxin substrate 1: “Crystal structure of RAC1 Q61L mutant”. X-ray diffraction, 2 ligands (GNP, MG), 3 pockets (best druggability 0.54). MolNFT v1 #93342 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4GZL
- Type
- protein
- Length
- 347 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RAS-related C3 botulinum toxin substrate 1
- EC
- 3.6.5.2
- UniProt
- P63000
- Ligands
- GNP, MG
- Pockets
- 3 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RAS-related C3 botulinum toxin substrate 1 (EC 3.6.5.2) | protein | 173 | 39% helix, 24% strand | P63000 |
| B | RAS-related C3 botulinum toxin substrate 1 (EC 3.6.5.2) | protein | 174 | 39% helix, 25% strand | P63000 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- IPA · Isopropyl alcohol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.54 | 0.82 | 29 | GNP, MG |
| 2 | 122 | 0.54 | 0.82 | 28 | GNP, MG |
| 3 | 65 | 0.29 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 549 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4GZL · Crystal structure of RAC1 Q61L mutant · 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 P63000
- Elsewhere: RCSB PDB 4GZL · PDBe 4GZL · UniProt P63000
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