MolNFT v1 · #59545 · protein
Complex of gs-alpha with the catalytic domains of mammalian adenylyl cyclase: complex with pyrophosphate and mg
3C15 · Adenylate cyclase type 5: “Complex of gs-alpha with the catalytic domains of mammalian adenylyl cyclase: complex with pyrophosphate and…”. X-ray diffraction, 5 ligands (FOK, POP, GSP), 9 pockets (best druggability 0.77). MolNFT v1…
- PDB
- 3C15
- Type
- protein
- Length
- 713 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylate cyclase type 5; Adenylate cyclase type 2; Guanine nucleotide-binding protein…
- EC
- 4.6.1.1
- UniProt
- P30803, P26769, P04896
- Ligands
- FOK, POP, GSP, MG, CL
- Pockets
- 9 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase type 5 (EC 4.6.1.1) | protein | 190 | 38% helix, 29% strand | P30803 |
| B | Adenylate cyclase type 2 (EC 4.6.1.1) | protein | 189 | 35% helix, 30% strand | P26769 |
| C | Guanine nucleotide-binding protein G(S) subunit alpha isoforms short | protein | 334 | 50% helix, 12% strand | P04896 |
Ligands and binding sites
- FOK · Forskolin · ligand · chains A, B
- POP · Pyrophosphate 2- · ligand · chains A, B
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains C
- MG · Magnesium ion · metal · chains A
- CL · Chloride ion · ion · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 161 | 0.77 | 0.94 | 31 | GSP |
| 2 | 903 | 0.76 | 0.79 | 69 | MG, FOK, POP |
| 3 | 225 | 0.63 | 0.82 | 24 | empty |
| 4 | 128 | 0.48 | 0.79 | 21 | empty |
| 5 | 145 | 0.42 | 0.75 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1966 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 837 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 288 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3C15 · Complex of GS-Alpha with the Catalytic Domains of Mammalian Adenylyl Cyclase: Complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P04896 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(S) subunit… · a predicted model of the same protein · chain C against A, TM-score 0.99
- P26769 · AlphaFold monomer V2.0 prediction for adenylate cyclase type 2 (P26769) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P30803 · AlphaFold monomer V2.0 prediction for adenylate cyclase type 5 (P30803) · 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 P30803
- Every structure of UniProt P26769
- Every structure of UniProt P04896
- Elsewhere: RCSB PDB 3C15 · PDBe 3C15 · UniProt P30803 · UniProt P26769 · UniProt P04896
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.