MolNFT v1 · #32952 · protein
Structure of plc epsilon RAS association domain with HRAS
2C5L · GTPase HRAS: “Structure of plc epsilon RAS association domain with HRAS”. X-ray diffraction, 2 ligands (GTP, MG), 6 pockets (best druggability 0.67). MolNFT v1 #32952 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2C5L
- Type
- protein
- Length
- 510 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GTPase HRAS; Phosphoinositide-specific phospholipase C plc-epsilon
- EC
- 3.6.5.2, 3.1.4.11
- UniProt
- P01112, Q9HBX6
- Ligands
- GTP, MG
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | GTPase HRAS (EC 3.6.5.2) | protein | 166 | 39% helix, 27% strand | P01112 |
| C | Phosphoinositide-specific phospholipase C plc-epsilon (EC 3.1.4.11) | protein | 97 | 26% helix, 37% strand | Q9HBX6 |
| D | Phosphoinositide-specific phospholipase C plc-epsilon (EC 3.1.4.11) | protein | 81 | 23% helix, 33% strand | Q9HBX6 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 348 | 0.67 | 0.81 | 46 | empty |
| 2 | 218 | 0.67 | 0.85 | 41 | GTP, MG |
| 3 | 204 | 0.66 | 0.85 | 39 | GTP, MG |
| 4 | 207 | 0.51 | 0.77 | 33 | empty |
| 5 | 75 | 0.40 | 0.79 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 783 Ų buried · 22 hydrogen bonds · protein-protein
- B–D · 679 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 651 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2C5L · Structure of PLC epsilon Ras association domain with hRas · 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 P01112
- Every structure of UniProt Q9HBX6
- Elsewhere: RCSB PDB 2C5L · PDBe 2C5L · UniProt P01112 · UniProt Q9HBX6
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