MolNFT v1 · #164177 · protein
Crystal structure of camp-dependent protein kinase a (cho PKA) in complex with 4-(TRIFLUOROMETHYL)BENZOIC acid
6SPM · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of camp-dependent protein kinase a (cho PKA) in complex with 4-(TRIFLUOROMETHYL)BENZOIC acid”. X-ray diffraction, 1 ligand (3AE), 4 pockets (best druggability…
- PDB
- 6SPM
- 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
- 3AE
- Pockets
- 4 · best druggability 0.68
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
- 3AE · 4-(trifluoromethyl)benzoic acid · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
- MOH · Methanol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 329 | 0.68 | 0.82 | 42 | 3AE |
| 2 | 91 | 0.47 | 0.80 | 13 | empty |
| 3 | 55 | 0.29 | 0.76 | 21 | empty |
| 4 | 56 | 0.26 | 0.73 | 17 | empty |
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 6SPM · Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with… · 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 6SPM · PDBe 6SPM · UniProt P25321
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