MolNFT v1 · #106714 · protein
Crystal structure of G protein-coupled receptor kinase 5 in complex with sangivamycin
4TNB: “Crystal structure of G protein-coupled receptor kinase 5 in complex with sangivamycin”. X-ray diffraction, 1 ligand (SGV), 7 pockets (best druggability 0.67). MolNFT v1 #106714 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4TNB
- 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
- SGV
- Pockets
- 7 · best druggability 0.67
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
- SGV · Sangivamycin · ligand · 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 | 611 | 0.67 | 0.77 | 62 | empty |
| 2 | 311 | 0.66 | 0.81 | 37 | SGV |
| 3 | 144 | 0.55 | 0.81 | 19 | empty |
| 4 | 105 | 0.37 | 0.75 | 24 | empty |
| 5 | 92 | 0.34 | 0.74 | 20 | empty |
Compared structures
- 4TNB · Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with Sangivamycin · 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 0.95
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 4TNB · PDBe 4TNB · UniProt P34947
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