MolNFT v1 · #49383 · protein
Crystal structure of human RAC3 in complex with crib domain of human P21-activated kinase 1 (PAK1)
2QME · RAS-related C3 botulinum toxin substrate 3: “Crystal structure of human RAC3 in complex with crib domain of human P21-activated kinase 1 (PAK1)”. X-ray diffraction, 2 ligands (GCP, MG), 1 pocket (best druggability 0.57). MolNFT v1…
- PDB
- 2QME
- Type
- protein
- Length
- 202 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RAS-related C3 botulinum toxin substrate 3; Crib domain of the SERINE/THREONINE-protein…
- EC
- 2.7.11.1
- UniProt
- P60763, Q13153
- Ligands
- GCP, MG
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RAS-related C3 botulinum toxin substrate 3 | protein | 178 | 39% helix, 26% strand | P60763 |
| I | Crib domain of the SERINE/THREONINE-protein kinase pak 1 (EC 2.7.11.1) | protein | 24 | 0% helix, 50% strand | Q13153 |
Ligands and binding sites
- GCP · Phosphomethylphosphonic acid guanylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
- GOL · Glycerol · additive · 2 copies · chains A, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 201 | 0.57 | 0.80 | 38 | GCP, MG |
Interfaces
1 interface between chains.
- A–I · 885 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 2QME · Crystal structure of human RAC3 in complex with CRIB domain of human p21-activated kinase… · the same entry in another collection · chain A against A, TM-score 1.00
- P60763 · AlphaFold monomer V2.0 prediction for RAS-related C3 botulinum toxin substrate 3 (P60763) · a predicted model of the same protein · chain A against A, TM-score 0.98
- Q13153 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase pak 1 (Q13153) · a predicted model of the same protein · chain I against A, TM-score 0.21
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 P60763
- Every structure of UniProt Q13153
- Elsewhere: RCSB PDB 2QME · PDBe 2QME · UniProt P60763 · UniProt Q13153
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