MolNFT v1 · #173405 · protein
Structure of DDR2 kinase domain in complex with IBZ3
7AYM · Discoidin domain-containing receptor 2,EPITHELIAL discoidin…: “Structure of DDR2 kinase domain in complex with IBZ3”. X-ray diffraction, 1 ligand (4VD), 2 pockets (best druggability 0.74). MolNFT v1 #173405 on GenesisL1: 3D…
- PDB
- 7AYM
- Type
- protein
- Length
- 275 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Discoidin domain-containing receptor 2,EPITHELIAL discoidin domain-containing receptor 1
- EC
- 2.7.10.1
- UniProt
- Q16832
- Ligands
- 4VD
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Discoidin domain-containing receptor 2,EPITHELIAL discoidin domain-containing receptor 1 (EC 2.7.10.1) | protein | 275 | 35% helix, 16% strand | Q16832 |
Ligands and binding sites
- 4VD · N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide · 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 | 572 | 0.74 | 0.81 | 57 | 4VD |
| 2 | 55 | 0.25 | 0.72 | 10 | empty |
Compared structures
- 7AYM · Structure of DDR2 Kinase domain in complex with IBZ3 · the same entry in another collection · chain A against A, TM-score 1.00
- Q16832 · AlphaFold monomer V2.0 prediction for discoidin domain-containing receptor 2 (Q16832) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q16832
- Elsewhere: RCSB PDB 7AYM · PDBe 7AYM · UniProt Q16832
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