MolNFT v1 · #110169 · protein
Structure of hsanillin bound with RHOA(Q63L) at 2.1 ångströms resolution
4XOI · Transforming protein rhoa: “Structure of hsanillin bound with RHOA(Q63L) at 2.1 ångströms resolution”. X-ray diffraction, 2 ligands (GTP, MG), 6 pockets (best druggability 0.78). MolNFT v1 #110169 on GenesisL1: 3D structure, binding…
- PDB
- 4XOI
- Type
- protein
- Length
- 772 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transforming protein rhoa; Actin-binding protein anillin
- UniProt
- P61586, Q9NQW6
- Ligands
- GTP, MG
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Transforming protein rhoa | protein | 177 | 40% helix, 25% strand | P61586 |
| B | Actin-binding protein anillin | protein | 210 | 33% helix, 34% strand | Q9NQW6 |
| D | Actin-binding protein anillin | protein | 208 | 34% helix, 35% strand | Q9NQW6 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B, C
- MG · Magnesium ion · metal · 2 copies · chains A, C
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 | 489 | 0.78 | 0.85 | 54 | GTP, MG |
| 2 | 453 | 0.76 | 0.85 | 53 | empty |
| 3 | 198 | 0.61 | 0.83 | 36 | empty |
| 4 | 213 | 0.60 | 0.81 | 37 | GTP, MG |
| 5 | 108 | 0.40 | 0.76 | 20 | empty |
Interfaces
5 interfaces between chains.
- C–D · 751 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 738 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 539 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 375 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 90 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 4XOI · Structure of hsAnillin bound with RhoA(Q63L) at 2.1 Angstroms resolution · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NQW6 · AlphaFold monomer V2.0 prediction for anillin (Q9NQW6) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P61586 · AlphaFold monomer V2.0 prediction for transforming protein rhoa (P61586) · a predicted model of the same protein · chain A 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 P61586
- Every structure of UniProt Q9NQW6
- Elsewhere: RCSB PDB 4XOI · PDBe 4XOI · UniProt P61586 · UniProt Q9NQW6
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