MolNFT v1 · #26004 · protein
Soluble adenylyl cyclase cyac from S. platensis in complex with ALPHA,BETA-methylene-ATP and strontium
1WC3 · Adenylate cyclase: “Soluble adenylyl cyclase cyac from S. platensis in complex with ALPHA,BETA-methylene-ATP and strontium”. X-ray diffraction, 2 ligands (APC, SR), 3 pockets (best druggability 0.75). MolNFT v1 #26004 on GenesisL1…
- PDB
- 1WC3
- Type
- protein
- Length
- 392 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylate cyclase
- EC
- 4.6.1.1
- UniProt
- O32393
- Ligands
- APC, SR
- Pockets
- 3 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Adenylate cyclase (EC 4.6.1.1) | protein | 198 | 38% helix, 34% strand | O32393 |
| B | Adenylate cyclase (EC 4.6.1.1) | protein | 194 | 38% helix, 34% strand | O32393 |
Ligands and binding sites
- APC · Diphosphomethylphosphonic acid adenosyl ester · ligand · 2 copies · chains A, B
- SR · Strontium ion · metal · 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 | 955 | 0.75 | 0.78 | 75 | APC, SR |
| 2 | 81 | 0.59 | 0.88 | 28 | empty |
| 3 | 73 | 0.34 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1411 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 1WC3 · 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 1WC3 · PDBe 1WC3 · UniProt O32393
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