MolNFT v1 · #165146 · protein
Unphosphorylated human STAT3 in complex with MS3-6 monobody
6TLC · Signal transducer and activator of transcription 3: “Unphosphorylated human STAT3 in complex with MS3-6 monobody”. X-ray diffraction, 16 pockets (best druggability 0.53). MolNFT v1 #165146 on GenesisL1: 3D structure, binding sites…
- PDB
- 6TLC
- Type
- protein
- Length
- 1,258 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Signal transducer and activator of transcription 3; Monobody
- UniProt
- P40763
- Pockets
- 16 · best druggability 0.53
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Signal transducer and activator of transcription 3 | protein | 535 | 48% helix, 20% strand | P40763 |
| A | Signal transducer and activator of transcription 3 | protein | 533 | 50% helix, 19% strand | P40763 |
| D, C | Monobody | protein | 95 | 0% helix, 51% strand | — |
Pockets
16 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 235 | 0.53 | 0.76 | 33 | empty |
| 2 | 160 | 0.52 | 0.79 | 20 | empty |
| 3 | 77 | 0.48 | 0.83 | 17 | empty |
| 4 | 165 | 0.48 | 0.77 | 30 | empty |
| 5 | 121 | 0.46 | 0.78 | 19 | empty |
Interfaces
3 interfaces between chains.
- B–A · 1639 Ų buried · 23 hydrogen bonds · protein-protein
- A–D · 897 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 894 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6TLC · Unphosphorylated human STAT3 in complex with MS3-6 monobody · the same entry in another collection · chain B against B, TM-score 1.00
- P40763 · AlphaFold monomer V2.0 prediction for signal transducer and activator of transcription 3… · a predicted model of the same protein · chain B against A, TM-score 0.95
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 6TLC · PDBe 6TLC · UniProt P40763
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