Research workbench
Bicycle toxin conjugate bound to EPHA2
Analyse Bicycle toxin conjugate bound to EPHA2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6RW2
- Type
- protein
- Length
- 193 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ephrin type-a receptor 2; Ala-arg-asp-cys-pro-leu-val-asn-pro-leu-cys-leu-his-pro…
- EC
- 2.7.10.1
- UniProt
- P29317
- Ligands
- 29N
- Pockets
- 1 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ephrin type-a receptor 2 (EC 2.7.10.1) | protein | 175 | 8% helix, 49% strand | P29317 |
| B | Ala-arg-asp-cys-pro-leu-val-asn-pro-leu-cys-leu-his-pro- gly-TRP-thr-cys | protein | 18 | 22% helix, 6% strand | — |
Ligands and binding sites
- 29N · 1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one · ligand · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.39 | 0.77 | 17 | 29N |
Interfaces
1 interface between chains.
- A–B · 960 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 covalent, 2 disulfide (covalent ligand, disulfide).
Compared structures
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 6RW2 · PDBe 6RW2 · UniProt P29317
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