Research workbench
Human mras Q71R in complex with human SHOC2 lrr domain M173I and human PP1CA
Analyse Human mras Q71R in complex with human SHOC2 lrr domain M173I and human PP1CA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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
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