MolNFT v1 · #12170 · protein
Crystal structure of the adenylyl cyclase domain of anthrax edema factor (ef)
1K8T · Calmodulin-sensitive adenylate cyclase: “Crystal structure of the adenylyl cyclase domain of anthrax edema factor (ef)”. X-ray diffraction, 2 ligands (NI, SO4), 7 pockets (best druggability 0.67). MolNFT v1 #12170 on GenesisL1: 3D…
- PDB
- 1K8T
- Type
- protein
- Length
- 498 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin-sensitive adenylate cyclase
- EC
- 4.6.1.1
- UniProt
- P40136
- Ligands
- NI, SO4
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin-sensitive adenylate cyclase (EC 4.6.1.1) | protein | 498 | 43% helix, 15% strand | P40136 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 456 | 0.67 | 0.79 | 44 | empty |
| 2 | 127 | 0.46 | 0.78 | 24 | empty |
| 3 | 167 | 0.44 | 0.75 | 21 | SO4, NI |
| 4 | 94 | 0.44 | 0.79 | 19 | empty |
| 5 | 73 | 0.39 | 0.78 | 16 | SO4 |
Compared structures
- 1K8T · Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) · the same entry in another collection · chain A against A, TM-score 1.00
- P40136 · AlphaFold monomer V2.0 prediction for calmodulin-sensitive adenylate cyclase (P40136) · a predicted model of the same protein · chain A against A, TM-score 0.68
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
- Elsewhere: RCSB PDB 1K8T · PDBe 1K8T · UniProt P40136
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