MolNFT v1 · #126723 · protein
Structure of a bacterial light-regulated adenylyl cylcase
5MBD · Beta subunit of photoactivated adenylyl cyclase: “Structure of a bacterial light-regulated adenylyl cylcase”. X-ray diffraction, 2 ligands (FMN, CL), 10 pockets (best druggability 0.77). MolNFT v1 #126723 on GenesisL1: 3D structure…
- PDB
- 5MBD
- Type
- protein
- Length
- 678 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, CL
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta subunit of photoactivated adenylyl cyclase | protein | 339 | 45% helix, 30% strand | A7BT71 |
| B | Beta subunit of photoactivated adenylyl cyclase | protein | 339 | 43% helix, 31% strand | A7BT71 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 921 | 0.77 | 0.79 | 81 | empty |
| 2 | 174 | 0.62 | 0.83 | 21 | FMN |
| 3 | 122 | 0.61 | 0.86 | 20 | FMN |
| 4 | 241 | 0.53 | 0.76 | 22 | empty |
| 5 | 243 | 0.51 | 0.75 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 3530 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 5MBD · 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 5MBD · PDBe 5MBD · UniProt A7BT71
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