Research workbench
Complex of gs-alpha with the catalytic domains of mammalian adenylyl cyclase: complex with 2'-deoxy-adenosine 3'-monophosphate, pyrophosphate and mg
Analyse Complex of gs-alpha with the catalytic domains of mammalian adenylyl cyclase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CS4
- Type
- protein
- Length
- 708 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Type V adenylate cyclase; Type II adenylate cyclase; Guanine nucleotide-binding protein…
- EC
- 4.6.1.1
- UniProt
- P30803, P26769, P04896
- Ligands
- FOK, POP, 101, GSP, MG, CL
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Type V adenylate cyclase (EC 4.6.1.1) | protein | 189 | 38% helix, 29% strand | P30803 |
| B | Type II adenylate cyclase (EC 4.6.1.1) | protein | 190 | 37% helix, 32% strand | P26769 |
| C | Guanine nucleotide-binding protein G(S) | protein | 329 | 47% helix, 12% strand | P04896 |
Ligands and binding sites
- FOK · Forskolin · ligand · chains A, B
- POP · Pyrophosphate 2- · ligand · chains A, B
- 101 · 2'-deoxy-adenosine 3'-monophosphate · ligand · chains A, B
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains C
- MG · Magnesium ion · metal · 2 copies · chains A, C
- CL · Chloride ion · ion · chains C
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains A, B
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 | 694 | 0.79 | 0.83 | 63 | MG, GSP |
| 2 | 783 | 0.75 | 0.80 | 60 | MG, FOK, POP, 101 |
| 3 | 92 | 0.34 | 0.74 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2007 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 804 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 251 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1CS4 · 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 1CS4 · PDBe 1CS4 · UniProt P30803 · UniProt P26769 · UniProt P04896
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