MolNFT v1 · #151147 · protein
Crystal structure of ephrin A2 (EPHA2) receptor protein kinase with the nvp-BHG712 derivative ATMM006
6HEX · Ephrin type-a receptor 2: “Crystal structure of ephrin A2 (EPHA2) receptor protein kinase with the nvp-BHG712 derivative ATMM006”. X-ray diffraction, 1 ligand (G02), 2 pockets (best druggability 0.69). MolNFT v1 #151147 on…
- PDB
- 6HEX
- Type
- protein
- Length
- 268 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ephrin type-a receptor 2
- UniProt
- P29317
- Ligands
- G02
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ephrin type-a receptor 2 | protein | 268 | 42% helix, 18% strand | P29317 |
Ligands and binding sites
- G02 · 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl) phenyl]benzamide · ligand · 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 | 336 | 0.69 | 0.82 | 38 | G02 |
| 2 | 62 | 0.32 | 0.75 | 21 | empty |
Compared structures
- 6HEX · Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with the NVP-BHG712… · the same entry in another collection · chain A against A, TM-score 1.00
- P29317 · AlphaFold monomer V2.0 prediction for ephrin type-a receptor 2 (P29317) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P29317
- Elsewhere: RCSB PDB 6HEX · PDBe 6HEX · UniProt P29317
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