MolNFT v1 · #3171 · protein
Complex of gs-alpha with the catalytic domains of mammalian adenylyl cyclase: complex with adenosine 5'-(alpha thio)-triphosphate (rp), mg, and mn
1CJK · Adenylate cyclase, type V: “Complex of gs-alpha with the catalytic domains of mammalian adenylyl cyclase: complex with adenosine…”. X-ray diffraction, 6 ligands (FOK, TAT, GSP), 5 pockets (best druggability 0.77). MolNFT v1 #3171 on…
- PDB
- 1CJK
- Type
- protein
- Length
- 709 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylate cyclase, type V; Adenylate cyclase, type II; Guanine nucleotide-binding protein…
- EC
- 4.6.1.1
- UniProt
- P30803, P26769, P04896
- Ligands
- FOK, TAT, GSP, MG, MN, CL
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase, type V (EC 4.6.1.1) | protein | 189 | 38% helix, 30% strand | P30803 |
| B | Adenylate cyclase, type II (EC 4.6.1.1) | protein | 190 | 37% helix, 29% strand | P26769 |
| C | Guanine nucleotide-binding protein G(S) | protein | 330 | 48% helix, 12% strand | P04896 |
Ligands and binding sites
- FOK · Forskolin · ligand · chains A, B
- TAT · Adenosine-5'-rp-alpha-thio-triphosphate · ligand · chains A, B
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains C
- MG · Magnesium ion · metal · 2 copies · chains A, C
- MN · Manganese (II) ion · metal · chains A
- CL · Chloride ion · ion · chains C
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 663 | 0.77 | 0.83 | 66 | MG, GSP |
| 2 | 802 | 0.74 | 0.78 | 58 | MG, MN, FOK, TAT |
| 3 | 57 | 0.47 | 0.85 | 15 | empty |
| 4 | 104 | 0.36 | 0.74 | 21 | empty |
| 5 | 62 | 0.31 | 0.75 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1990 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 817 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 243 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1CJK · 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 0.97
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 1CJK · PDBe 1CJK · UniProt P30803 · UniProt P26769 · UniProt P04896
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