MolNFT v1 · #91312 · protein
Crystal structure of human camp-dependent protein kinase type I-beta regulatory subunit (fragment 11-73), northeast structural genomics consortium (nesg) target HR8613A
4F9K: “Crystal structure of human camp-dependent protein kinase type I-beta regulatory subunit (fragment 11-73)…”. X-ray diffraction, 4 pockets (best druggability 0.49). MolNFT v1 #91312 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4F9K
- Type
- protein
- Length
- 228 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase type I-beta regulatory subunit
- UniProt
- P31321
- Pockets
- 4 · best druggability 0.49
Structure
x-ray diffraction · 3 distinct chains · 76% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase type I-beta regulatory subunit | protein | 57 | 68% helix, 0% strand | P31321 |
| B, C | Camp-dependent protein kinase type I-beta regulatory subunit | protein | 58 | 84% helix, 0% strand | P31321 |
| D | Camp-dependent protein kinase type I-beta regulatory subunit | protein | 55 | 75% helix, 0% strand | P31321 |
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 167 | 0.49 | 0.77 | 16 | empty |
| 2 | 64 | 0.42 | 0.81 | 12 | empty |
| 3 | 122 | 0.41 | 0.75 | 21 | empty |
| 4 | 60 | 0.28 | 0.73 | 17 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1383 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1238 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 427 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 121 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 113 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 disulfide, 4 modified (disulfide, engineered).
Compared structures
- 4F9K · Crystal Structure of human cAMP-dependent protein kinase type I-beta regulatory subunit… · the same entry in another collection · chain A against A, TM-score 1.00
- P31321 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase type I-beta… · a predicted model of the same protein · chain D against A, TM-score 0.87
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 P31321
- Elsewhere: RCSB PDB 4F9K · PDBe 4F9K · UniProt P31321
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