Research workbench
Structural basis for the inhibition of mammalian adenylyl cyclase by mant-GTP
Analyse Structural basis for the inhibition of mammalian adenylyl cyclase by mant-GTP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1U0H
- Type
- protein
- Length
- 708 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, ONM, GSP, MG, CL
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase, type V (EC 4.6.1.1) | protein | 189 | 35% helix, 29% strand | P30803 |
| B | Adenylate cyclase, type II (EC 4.6.1.1) | protein | 189 | 35% helix, 31% strand | P26769 |
| C | Guanine nucleotide-binding protein G(S), alpha subunit | protein | 330 | 48% helix, 10% strand | P04896 |
Ligands and binding sites
- FOK · Forskolin · ligand · chains A, B
- ONM · 3'-O-(N-methylanthraniloyl)-guanosine-5'-triphosphate · ligand · chains A, B
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains C
- MG · Magnesium ion · metal · 3 copies · chains A, C
- CL · Chloride ion · ion · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.76 | 0.93 | 30 | MG, GSP |
| 2 | 977 | 0.75 | 0.78 | 66 | MG, FOK, ONM |
| 3 | 200 | 0.60 | 0.82 | 28 | empty |
| 4 | 178 | 0.51 | 0.77 | 23 | empty |
| 5 | 101 | 0.36 | 0.74 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1844 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 794 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 252 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1U0H · Structural basis for the inhibition of mammalian adenylyl cyclase by mant-GTP · 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 1U0H · PDBe 1U0H · UniProt P30803 · UniProt P26769 · UniProt P04896
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