Research workbench
Crystal structure of triple mutant (kda to egy) of adenylyl cyclase MA1120 from mycobacterium avium in complex with GTP and calcium ion
Analyse Crystal structure of triple mutant (kda to egy) of adenylyl cyclase MA1120 from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5D0G
- Type
- protein
- Length
- 318 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclase
- UniProt
- V7LAR8
- Ligands
- GTP, CA
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclase | protein | 162 | 41% helix, 31% strand | V7LAR8 |
| B | Cyclase | protein | 156 | 40% helix, 32% strand | V7LAR8 |
Ligands and binding sites
- GTP · Guanosine-5'-triphosphate · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 689 | 0.79 | 0.83 | 64 | GTP, CA |
| 2 | 59 | 0.30 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1054 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5D0G · Crystal structure of triple mutant (KDA to EGY) of adenylyl cyclase Ma1120 from… · 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 V7LAR8
- Elsewhere: RCSB PDB 5D0G · PDBe 5D0G · UniProt V7LAR8
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