Research workbench
Crystal structure of a putative adenylate cyclase (BH2851) from bacillus halodurans at 2.12 a resolution
Analyse Crystal structure of a putative adenylate cyclase (BH2851) from bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2GFG
- Type
- protein
- Length
- 566 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH2851
- UniProt
- Q9K901
- Ligands
- UNL, NA, CL
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BH2851 | protein | 191 | 32% helix, 41% strand | Q9K901 |
| B | BH2851 | protein | 188 | 30% helix, 42% strand | Q9K901 |
| C | BH2851 | protein | 187 | 29% helix, 41% strand | Q9K901 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · 3 copies · chains A, B, C
- NA · Sodium ion · metal · chains B
- CL · Chloride ion · ion · 3 copies · chains A, B, C
- EDO · 1,2-ethanediol · additive · 16 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 847 | 0.80 | 0.83 | 94 | UNL, EDO |
| 2 | 525 | 0.67 | 0.78 | 62 | UNL |
| 3 | 330 | 0.63 | 0.79 | 54 | UNL, EDO |
| 4 | 135 | 0.40 | 0.74 | 22 | empty |
Interfaces
2 interfaces between chains.
- A–C · 817 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 526 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2GFG · Crystal structure of a putative adenylate cyclase (bh2851) from bacillus halodurans at… · 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 Q9K901
- Elsewhere: RCSB PDB 2GFG · PDBe 2GFG · UniProt Q9K901
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