MolNFT v1 · #106716 · protein
Crystal structure of G protein-coupled receptor kinase 5 in complex with AMP-pnp
4TND: “Crystal structure of G protein-coupled receptor kinase 5 in complex with AMP-pnp”. X-ray diffraction, 2 ligands (ANP, MG), 7 pockets (best druggability 0.69). MolNFT v1 #106716 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4TND
- Type
- protein
- Length
- 529 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- G protein-coupled receptor kinase 5
- EC
- 2.7.11.16
- UniProt
- P34947
- Ligands
- ANP, MG
- Pockets
- 7 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | G protein-coupled receptor kinase 5 (EC 2.7.11.16) | protein | 529 | 46% helix, 10% strand | P34947 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 584 | 0.69 | 0.78 | 66 | empty |
| 2 | 327 | 0.68 | 0.82 | 39 | ANP, MG |
| 3 | 139 | 0.54 | 0.81 | 20 | empty |
| 4 | 125 | 0.40 | 0.75 | 27 | empty |
| 5 | 69 | 0.36 | 0.77 | 13 | empty |
Compared structures
- 4TND · Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with AMP-PNP · the same entry in another collection · chain A against A, TM-score 1.00
- P34947 · AlphaFold monomer V2.0 prediction for G protein-coupled receptor kinase 5 (P34947) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P34947
- Elsewhere: RCSB PDB 4TND · PDBe 4TND · UniProt P34947
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