MolNFT v1 · #126724 · protein
Structure of a bacterial light-regulated adenylyl cylcase
5MBE · Beta subunit of photoactivated adenylyl cyclase: “Structure of a bacterial light-regulated adenylyl cylcase”. X-ray diffraction, 1 ligand (FMN), 12 pockets (best druggability 0.77). MolNFT v1 #126724 on GenesisL1: 3D structure…
- PDB
- 5MBE
- Type
- protein
- Length
- 676 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta subunit of photoactivated adenylyl cyclase
- UniProt
- A7BT71
- Ligands
- FMN
- Pockets
- 12 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta subunit of photoactivated adenylyl cyclase | protein | 339 | 43% helix, 31% strand | A7BT71 |
| B | Beta subunit of photoactivated adenylyl cyclase | protein | 337 | 42% helix, 30% strand | A7BT71 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 912 | 0.77 | 0.80 | 76 | empty |
| 2 | 171 | 0.59 | 0.82 | 22 | FMN |
| 3 | 151 | 0.57 | 0.82 | 24 | FMN |
| 4 | 251 | 0.53 | 0.76 | 20 | empty |
| 5 | 187 | 0.51 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 3555 Ų buried · 33 hydrogen bonds · protein-protein
Compared structures
- 5MBE · Structure of a bacterial light-regulated adenylyl cylcase · 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 A7BT71
- Elsewhere: RCSB PDB 5MBE · PDBe 5MBE · UniProt A7BT71
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