MolNFT v1 · #143870 · protein
A complex between pH domain of lbcrhogef (akap-lbc) and activated rhoa bound to a GTP analog
6BCA · Transforming protein rhoa: “A complex between pH domain of lbcrhogef (akap-lbc) and activated rhoa bound to a GTP analog”. X-ray diffraction, 2 ligands (GSP, MG), 7 pockets (best druggability 0.60). MolNFT v1 #143870 on GenesisL1…
- PDB
- 6BCA
- Type
- protein
- Length
- 636 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transforming protein rhoa; A-kinase anchor protein 13
- UniProt
- P61586, Q12802
- Ligands
- GSP, MG
- Pockets
- 7 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| F, C | Transforming protein rhoa | protein | 179 | 39% helix, 26% strand | P61586 |
| A | A-kinase anchor protein 13 | protein | 139 | 24% helix, 43% strand | Q12802 |
| B | A-kinase anchor protein 13 | protein | 139 | 22% helix, 43% strand | Q12802 |
Ligands and binding sites
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · 2 copies · chains F, C
- MG · Magnesium ion · metal · 2 copies · chains F, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 223 | 0.60 | 0.80 | 35 | empty |
| 2 | 175 | 0.58 | 0.82 | 33 | MG, GSP |
| 3 | 211 | 0.56 | 0.79 | 25 | empty |
| 4 | 170 | 0.54 | 0.79 | 32 | MG, GSP |
| 5 | 224 | 0.53 | 0.77 | 25 | empty |
Interfaces
3 interfaces between chains.
- A–C · 596 Ų buried · 7 hydrogen bonds · protein-protein
- F–B · 593 Ų buried · 6 hydrogen bonds · protein-protein
- F–A · 359 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6BCA · A Complex between PH Domain of LbcRhoGEF (AKAP-Lbc) and Activated RhoA Bound to a GTP… · 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 0.99
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 Q12802
- Elsewhere: RCSB PDB 6BCA · PDBe 6BCA · UniProt P61586 · UniProt Q12802
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