MolNFT v1 · #188549 · protein
Human mras Q71R in complex with human SHOC2 lrr domain M173I and human PP1CA
7TXH · RAS-related protein M-RAS: “Human mras Q71R in complex with human SHOC2 lrr domain M173I and human PP1CA”. X-ray diffraction, 4 ligands (GNP, MN, MG), 20 pockets (best druggability 0.85). MolNFT v1 #188549 on GenesisL1: 3D…
- PDB
- 7TXH
- Type
- protein
- Length
- 1,920 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RAS-related protein M-RAS; Leucine-rich repeat protein shoc-2; SERINE/THREONINE-protein…
- EC
- 3.6.5.2, 3.1.3.16
- UniProt
- O14807, Q9UQ13, P62136
- Ligands
- GNP, MN, MG, PO4
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 6 distinct chains · 29% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RAS-related protein M-RAS (EC 3.6.5.2) | protein | 173 | 36% helix, 27% strand | O14807 |
| B | Leucine-rich repeat protein shoc-2 | protein | 496 | 23% helix, 12% strand | Q9UQ13 |
| C | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16) | protein | 292 | 33% helix, 19% strand | P62136 |
| D | RAS-related protein M-RAS (EC 3.6.5.2) | protein | 169 | 38% helix, 27% strand | O14807 |
| E | Leucine-rich repeat protein shoc-2 | protein | 496 | 23% helix, 12% strand | Q9UQ13 |
| F | SERINE/THREONINE-protein phosphatase PP1-alpha catalytic subunit (EC 3.1.3.16) | protein | 294 | 34% helix, 20% strand | P62136 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 2 copies · chains A, D
- MN · Manganese (II) ion · metal · 4 copies · chains C, F
- MG · Magnesium ion · metal · 2 copies · chains A, D
- PO4 · Phosphate ion · ion · 4 copies · chains C, B, E, F
- GOL · Glycerol · additive · 16 copies · chains A, C, B, D, F, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 892 | 0.85 | 0.87 | 98 | GNP, MG, GOL |
| 2 | 675 | 0.84 | 0.88 | 75 | GNP, MG, GOL |
| 3 | 282 | 0.75 | 0.88 | 41 | GOL |
| 4 | 425 | 0.74 | 0.84 | 39 | GOL |
| 5 | 72 | 0.72 | 0.97 | 19 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1091 Ų buried · 12 hydrogen bonds · protein-protein
- D–E · 1059 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 984 Ų buried · 21 hydrogen bonds · protein-protein
- E–F · 978 Ų buried · 13 hydrogen bonds · protein-protein
- C–F · 793 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 7TXH · Human MRas Q71R in complex with human Shoc2 LRR domain M173I and human PP1Ca · the same entry in another collection · chain F against F, TM-score 1.00
- P62136 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein phosphatase PP1-alpha… · a predicted model of the same protein · chain C against A, TM-score 1.00
- Q9UQ13 · AlphaFold monomer V2.0 prediction for leucine-rich repeat protein shoc-2 (Q9UQ13) · a predicted model of the same protein · chain E against A, TM-score 0.98
- O14807 · AlphaFold monomer V2.0 prediction for RAS-related protein M-RAS (O14807) · a predicted model of the same protein · chain D against A, TM-score 0.98
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 O14807
- Every structure of UniProt Q9UQ13
- Every structure of UniProt P62136
- Elsewhere: RCSB PDB 7TXH · PDBe 7TXH · UniProt O14807 · UniProt Q9UQ13 · UniProt P62136
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.