MolNFT v1 · #125156 · protein
Pkg I'S carboxyl terminal cyclic nucleotide binding domain (cnb-B) in a complex with rp-cgmp
5L0N · Cgmp-dependent protein kinase 1: “Pkg I'S carboxyl terminal cyclic nucleotide binding domain (cnb-B) in a complex with rp-cgmp”. X-ray diffraction, 3 ligands (6ZA, CA, SO4), 1 pocket (best druggability 0.40). MolNFT v1 #125156 on…
- PDB
- 5L0N
- Type
- protein
- Length
- 127 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cgmp-dependent protein kinase 1
- EC
- 2.7.11.12
- UniProt
- Q13976
- Ligands
- 6ZA, CA, SO4
- Pockets
- 1 · best druggability 0.40
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cgmp-dependent protein kinase 1 (EC 2.7.11.12) | protein | 127 | 28% helix, 32% strand | Q13976 |
Ligands and binding sites
- 6ZA · 2-amino-9-[(2R,4aR,6R,7R,7aS)-2,7-dihydroxy-2-sulfanylidenetetrahydro-2H,4H-2lambda~5~-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,9-dihydro-6H-purin-6-one · ligand · chains A
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.40 | 0.77 | 17 | SO4, 6ZA |
Compared structures
- 5L0N · PKG I's Carboxyl Terminal Cyclic Nucleotide Binding Domain (CNB-B) in a complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q13976 · AlphaFold monomer V2.0 prediction for cgmp-dependent protein kinase 1 (Q13976) · a predicted model of the same protein · chain A against A, TM-score 0.85
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 Q13976
- Elsewhere: RCSB PDB 5L0N · PDBe 5L0N · UniProt Q13976
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