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STAT3 core in complex with compound SD36
Analyse STAT3 core in complex with compound SD36 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NJS
- Type
- protein
- Length
- 523 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Signal transducer and activator of transcription 3
- UniProt
- P40763
- Ligands
- KQV
- Pockets
- 4 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Signal transducer and activator of transcription 3 | protein | 523 | 49% helix, 19% strand | P40763 |
Ligands and binding sites
- KQV · [(2-{[(5s,8s,10ar)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-A][1, 5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro) methyl]phosphonic acid (non-preferred name) · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 281 | 0.55 | 0.76 | 36 | empty |
| 2 | 136 | 0.45 | 0.77 | 23 | empty |
| 3 | 108 | 0.37 | 0.74 | 23 | empty |
| 4 | 56 | 0.29 | 0.75 | 16 | empty |
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 P40763
- Elsewhere: RCSB PDB 6NJS · PDBe 6NJS · UniProt P40763
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