MolNFT v1 · #143871 · protein
A complex between pH domain of P114RHOGEF and activated rhoa bound to a GTP analog
6BCB · Transforming protein rhoa: “A complex between pH domain of P114RHOGEF and activated rhoa bound to a GTP analog”. X-ray diffraction, 2 ligands (GSP, MG), 3 pockets (best druggability 0.57). MolNFT v1 #143871 on GenesisL1: 3D…
- PDB
- 6BCB
- Type
- protein
- Length
- 326 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transforming protein rhoa; Rho guanine nucleotide exchange factor 18
- UniProt
- P61586, Q6P9R4
- Ligands
- GSP, MG
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F | Transforming protein rhoa | protein | 181 | 38% helix, 25% strand | P61586 |
| A | Rho guanine nucleotide exchange factor 18 | protein | 145 | 21% helix, 42% strand | Q6P9R4 |
Ligands and binding sites
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains F
- MG · Magnesium ion · metal · chains F
- EDO · 1,2-ethanediol · additive · chains F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 171 | 0.57 | 0.81 | 33 | GSP, MG, EDO |
| 2 | 248 | 0.52 | 0.76 | 31 | empty |
| 3 | 75 | 0.40 | 0.79 | 19 | empty |
Interfaces
1 interface between chains.
- F–A · 521 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6BCB · A Complex between PH Domain of p114RhoGEF and Activated RhoA Bound to a GTP Analog · the same entry in another collection · chain F against F, TM-score 1.00
- P61586 · AlphaFold monomer V2.0 prediction for transforming protein rhoa (P61586) · a predicted model of the same protein · chain F against A, TM-score 0.98
- Q6P9R4 · AlphaFold monomer V2.0 prediction for rho guanine nucleotide exchange factor 18 (Q6P9R4) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q6P9R4
- Elsewhere: RCSB PDB 6BCB · PDBe 6BCB · UniProt P61586 · UniProt Q6P9R4
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