MolNFT v1 · #38398 · protein
Crystal structure of complex of gs- with the catalytic domains of mammalian adenylyl cyclase: complex with mant-ATP and mn
2GVZ · Adenylate cyclase type 5: “Crystal structure of complex of gs- with the catalytic domains of mammalian adenylyl cyclase: complex with…”. X-ray diffraction, 5 ligands (FKP, ONA, GSP), 5 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 2GVZ
- Type
- protein
- Length
- 707 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
- FKP, ONA, GSP, MN, CL
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase type 5 (EC 4.6.1.1) | protein | 189 | 31% helix, 28% strand | P30803 |
| B | Adenylate cyclase type 2 (EC 4.6.1.1) | protein | 188 | 29% helix, 29% strand | P26769 |
| C | Guanine nucleotide-binding protein G(S), alpha subunit | protein | 330 | 45% helix, 12% strand | P04896 |
Ligands and binding sites
- FKP · Methylpiperazinoforskolin · ligand · chains A, B
- ONA · 3'-O-[2-(methylamino)benzoyl]adenosine 5'-(tetrahydrogen triphosphate) · ligand · chains A, B
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains C
- MN · Manganese (II) 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 929 | 0.76 | 0.79 | 63 | MN, FKP, ONA |
| 2 | 167 | 0.75 | 0.92 | 31 | MN, GSP |
| 3 | 169 | 0.60 | 0.83 | 20 | empty |
| 4 | 153 | 0.47 | 0.77 | 20 | empty |
| 5 | 96 | 0.35 | 0.74 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1818 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 849 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 263 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2GVZ · Crystal Structure of Complex of Gs- with The Catalytic Domains of Mammalian Adenylyl… · 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 0.98
- 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 0.95
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 2GVZ · PDBe 2GVZ · UniProt P30803 · UniProt P26769 · UniProt P04896
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