Research workbench
Crystal structure of anthrax edema factor (ef) in complex with calmodulin in the presence of 10 millimolar exogenously added calcium chloride
Analyse Crystal structure of anthrax edema factor (ef) in complex with calmodulin in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XFX
- Type
- protein
- Length
- 5,286 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin-sensitive adenylate cyclase; Calmodulin 2
- EC
- 4.6.1.1
- UniProt
- P40136, P62158
- Ligands
- CA, MG
- Pockets
- 20 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Calmodulin-sensitive adenylate cyclase (EC 4.6.1.1) | protein | 735 | 41% helix, 12% strand | P40136 |
| O, P, Q, R, S, T | Calmodulin 2 | protein | 146 | 49% helix, 4% strand | P62158 |
Ligands and binding sites
- CA · Calcium ion · metal · 24 copies · chains O, P, Q, R, S, T
- MG · Magnesium ion · metal · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 851 | 0.73 | 0.77 | 74 | empty |
| 2 | 817 | 0.73 | 0.78 | 65 | empty |
| 3 | 911 | 0.73 | 0.77 | 71 | empty |
| 4 | 951 | 0.72 | 0.76 | 89 | empty |
| 5 | 847 | 0.72 | 0.77 | 68 | empty |
Interfaces
12 interfaces between chains.
- A–O · 2949 Ų buried · 30 hydrogen bonds · protein-protein
- F–T · 2945 Ų buried · 30 hydrogen bonds · protein-protein
- C–Q · 2940 Ų buried · 29 hydrogen bonds · protein-protein
- D–R · 2940 Ų buried · 30 hydrogen bonds · protein-protein
- E–S · 2939 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 54 modified (engineered).
Compared structures
- 1XFX · Crystal structure of anthrax edema factor (EF) in complex with calmodulin in the presence… · the same entry in another collection · chain O against O, 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 P40136
- Every structure of UniProt P62158
- Elsewhere: RCSB PDB 1XFX · PDBe 1XFX · UniProt P40136 · UniProt P62158
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