MolNFT v1 · #75939 · protein
Crystal structure of PBANKA_031420
3Q5I · Protein kinase: “Crystal structure of PBANKA_031420”. X-ray diffraction, 3 ligands (ANP, CA, MG), 5 pockets (best druggability 0.70). MolNFT v1 #75939 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3Q5I
- Type
- protein
- Length
- 470 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein kinase
- UniProt
- Q4YRR5
- Ligands
- ANP, CA, MG
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein kinase | protein | 470 | 49% helix, 13% strand | Q4YRR5 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- CA · Calcium ion · metal · 6 copies · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 180 | 0.70 | 0.88 | 27 | empty |
| 2 | 361 | 0.64 | 0.79 | 45 | empty |
| 3 | 264 | 0.59 | 0.78 | 32 | ANP |
| 4 | 76 | 0.40 | 0.79 | 19 | empty |
| 5 | 58 | 0.29 | 0.75 | 13 | empty |
Compared structures
- 3Q5I · Crystal Structure of PBANKA_031420 · 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 Q4YRR5
- Elsewhere: RCSB PDB 3Q5I · PDBe 3Q5I · UniProt Q4YRR5
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