MolNFT v1 · #10084 · protein
1.8A X-ray structure of ternary complex of a catalytic domain of death-associated protein kinase with ATP analogue and mn.
1IG1: “1.8A X-ray structure of ternary complex of a catalytic domain of death-associated protein kinase with ATP…”. X-ray diffraction, 2 ligands (ANP, MN), 2 pockets (best druggability 0.70). MolNFT v1 #10084 on GenesisL1: 3D structure…
- PDB
- 1IG1
- Type
- protein
- Length
- 280 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Death-associated protein kinase
- EC
- 2.7.1.-
- UniProt
- P53355
- Ligands
- ANP, MN
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Death-associated protein kinase (EC 2.7.1.-) | protein | 280 | 34% helix, 20% strand | P53355 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- MN · Manganese (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 561 | 0.70 | 0.79 | 54 | MN, ANP |
| 2 | 69 | 0.29 | 0.73 | 15 | empty |
Compared structures
- 1IG1 · 1.8A X-Ray structure of ternary complex of a catalytic domain of death-associated protein… · the same entry in another collection · chain A against A, TM-score 1.00
- P53355 · AlphaFold monomer V2.0 prediction for death-associated protein kinase 1 (P53355) · 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 P53355
- Elsewhere: RCSB PDB 1IG1 · PDBe 1IG1 · UniProt P53355
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