Research workbench
Crystal structure of adenylyl cyclase MA1120 from mycobacterium avium bound to pyrophosphate and calcium
Analyse Crystal structure of adenylyl cyclase MA1120 from mycobacterium avium bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WPA
- Type
- protein
- Length
- 317 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MA1120
- EC
- 4.6.1.1
- UniProt
- Q5UFR5
- Ligands
- PPV, CA
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MA1120 (EC 4.6.1.1) | protein | 157 | 41% helix, 34% strand | Q5UFR5 |
| B | MA1120 (EC 4.6.1.1) | protein | 160 | 42% helix, 33% strand | Q5UFR5 |
Ligands and binding sites
- PPV · Pyrophosphate · 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 | 942 | 0.77 | 0.79 | 65 | CA, PPV |
| 2 | 56 | 0.30 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1103 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4WPA · Crystal structure of Adenylyl cyclase Ma1120 from Mycobacterium Avium bound to… · 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 Q5UFR5
- Elsewhere: RCSB PDB 4WPA · PDBe 4WPA · UniProt Q5UFR5
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