MolNFT v1 · #116001 · protein
Crystal structure of an adenylyl cyclase MA1120-cat in complex with GTP and calcium from mycobacterium avium
5D0E: “Crystal structure of an adenylyl cyclase MA1120-cat in complex with GTP and calcium from mycobacterium avium”. X-ray diffraction, 3 ligands (GTP, CA, CL), 1 pocket (best druggability 0.79). MolNFT v1 #116001 on GenesisL1: 3D…
- PDB
- 5D0E
- Type
- protein
- Length
- 327 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclase
- UniProt
- V7LAR8
- Ligands
- GTP, CA, CL
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclase | protein | 163 | 40% helix, 31% strand | V7LAR8 |
| B | Cyclase | protein | 164 | 41% helix, 27% 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
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 912 | 0.79 | 0.81 | 78 | CA, GTP |
Interfaces
1 interface between chains.
- A–B · 1024 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5D0E · Crystal Structure of an adenylyl cyclase Ma1120-Cat in complex with GTP and calcium 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 5D0E · PDBe 5D0E · UniProt V7LAR8
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