MolNFT v2 · #172392 · protein
Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric binding modes
6YG2: “Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric binding modes”. X-ray diffraction at 2, 2 ligands (1E8, 8E8). MolNFT v2 #172392 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6YG2
- Type
- protein
- Length
- 290 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2
- Source
- Homo sapiens
- UniProt
- O14733
- Ligands
- 1E8, 8E8
Structure
x-ray diffraction · resolution 2 · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 290 | — | O14733 |
Ligands and binding sites
- 1E8 · 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one · ligand · chains A
- 8E8 · 1-[(3~{R})-3-[4-azanyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one · ligand · chains A
- EDO · 1,2-ethanediol · additive · 8 copies · chains A
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6YG2 · Crystal structure of MKK7 (MAP2K7) in complex with ibrutnib, with covalent and allosteric… · 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 O14733
- Elsewhere: RCSB PDB 6YG2 · PDBe 6YG2 · UniProt O14733
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