MolNFT v1 · #171418 · protein
Crystal structure of the camp-dependent protein kinase a in complex with phenol
6Z44 · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of the camp-dependent protein kinase a in complex with phenol”. X-ray diffraction, 1 ligand (IPH), 3 pockets (best druggability 0.69). MolNFT v1 #171418 on…
- PDB
- 6Z44
- Type
- protein
- Length
- 338 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha
- EC
- 2.7.11.11
- UniProt
- P25321
- Ligands
- IPH
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 338 | 38% helix, 15% strand | P25321 |
Ligands and binding sites
- IPH · Phenol · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 3 copies · chains A
- MRD · (4R)-2-methylpentane-2,4-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 318 | 0.69 | 0.82 | 35 | IPH |
| 2 | 88 | 0.48 | 0.81 | 12 | MRD |
| 3 | 70 | 0.34 | 0.76 | 18 | empty |
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 6Z44 · Crystal structure of the cAMP-dependent protein kinase A in complex with phenol · 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 P25321
- Elsewhere: RCSB PDB 6Z44 · PDBe 6Z44 · UniProt P25321
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