MolNFT v1 · #26006 · protein
Soluble adenylyl cyclase cyac from S. platensis in complex with ALPHA,BETA-methylene-ATP in presence of bicarbonate
1WC5 · Adenylate cyclase: “Soluble adenylyl cyclase cyac from S. platensis in complex with ALPHA,BETA-methylene-ATP in presence of…”. X-ray diffraction, 3 ligands (APC, MG, CA), 6 pockets (best druggability 0.79). MolNFT v1 #26006 on…
- PDB
- 1WC5
- Type
- protein
- Length
- 778 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylate cyclase
- EC
- 4.6.1.1
- UniProt
- O32393
- Ligands
- APC, MG, CA
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase (EC 4.6.1.1) | protein | 193 | 39% helix, 31% strand | O32393 |
| B | Adenylate cyclase (EC 4.6.1.1) | protein | 194 | 38% helix, 32% strand | O32393 |
| C | Adenylate cyclase (EC 4.6.1.1) | protein | 198 | 38% helix, 32% strand | O32393 |
| D | Adenylate cyclase (EC 4.6.1.1) | protein | 193 | 37% helix, 33% strand | O32393 |
Ligands and binding sites
- APC · Diphosphomethylphosphonic acid adenosyl ester · ligand · 4 copies · chains A, D, B, C
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
- CA · Calcium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 859 | 0.79 | 0.82 | 61 | APC, MG, CA |
| 2 | 847 | 0.78 | 0.81 | 64 | APC, MG, CA |
| 3 | 83 | 0.57 | 0.87 | 27 | empty |
| 4 | 71 | 0.54 | 0.87 | 27 | empty |
| 5 | 51 | 0.31 | 0.77 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–D · 1513 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1489 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 1WC5 · Soluble adenylyl cyclase CyaC from S. platensis in complex with alpha, beta-methylene-ATP… · the same entry in another collection · chain A against A, TM-score 1.00
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 O32393
- Elsewhere: RCSB PDB 1WC5 · PDBe 1WC5 · UniProt O32393
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