MolNFT v1 · #172097 · protein
Crystal structure of JNK1 in complex with ATF2(19-58)
6ZR5 · Mitogen-activated protein kinase 8: “Crystal structure of JNK1 in complex with ATF2(19-58)”. X-ray diffraction, 3 ligands (ANP, MG, ZN), 8 pockets (best druggability 0.80). MolNFT v1 #172097 on GenesisL1: 3D structure, binding sites…
- PDB
- 6ZR5
- Type
- protein
- Length
- 781 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 8; Cyclic AMP-dependent transcription factor atf-2
- EC
- 2.7.11.24, 2.3.1.48
- UniProt
- P45983, P15336
- Ligands
- ANP, MG, ZN
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 8 (EC 2.7.11.24) | protein | 348 | 39% helix, 17% strand | P45983 |
| C | Cyclic AMP-dependent transcription factor atf-2 (EC 2.3.1.48) | protein | 36 | 31% helix, 11% strand | P15336 |
| B | Mitogen-activated protein kinase 8 (EC 2.7.11.24) | protein | 359 | 39% helix, 16% strand | P45983 |
| D | Cyclic AMP-dependent transcription factor atf-2 (EC 2.3.1.48) | protein | 38 | 29% helix, 5% strand | P15336 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 859 | 0.80 | 0.83 | 98 | MG, ANP |
| 2 | 898 | 0.74 | 0.78 | 90 | ANP, MG |
| 3 | 413 | 0.63 | 0.78 | 44 | empty |
| 4 | 138 | 0.56 | 0.82 | 25 | empty |
| 5 | 224 | 0.55 | 0.78 | 41 | empty |
Interfaces
4 interfaces between chains.
- A–C · 752 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 718 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 557 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 308 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6ZR5 · Crystal structure of JNK1 in complex with ATF2(19-58) · the same entry in another collection · chain D against D, TM-score 1.00
- P45983 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 8 (P45983) · a predicted model of the same protein · chain A against A, TM-score 0.97
- P15336 · AlphaFold monomer V2.0 prediction for cyclic AMP-dependent transcription factor atf-2… · a predicted model of the same protein · chain C against A, TM-score 0.72
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 P45983
- Every structure of UniProt P15336
- Elsewhere: RCSB PDB 6ZR5 · PDBe 6ZR5 · UniProt P45983 · UniProt P15336
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.