MolNFT v1 · #38414 · protein
Human sulfotranferase SULT1C2 in complex with pap and pentachlorophenol
2GWH · Sulfotransferase 1C2: “Human sulfotranferase SULT1C2 in complex with pap and pentachlorophenol”. X-ray diffraction, 3 ligands (PCI, A3P, UNX), 2 pockets (best druggability 0.84). MolNFT v1 #38414 on GenesisL1: 3D structure, binding…
- PDB
- 2GWH
- Type
- protein
- Length
- 573 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfotransferase 1C2
- EC
- 2.8.2.-
- UniProt
- O75897
- Ligands
- PCI, A3P, UNX
- Pockets
- 2 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfotransferase 1C2 (EC 2.8.2.-) | protein | 285 | 47% helix, 13% strand | O75897 |
| B | Sulfotransferase 1C2 (EC 2.8.2.-) | protein | 288 | 44% helix, 12% strand | O75897 |
Ligands and binding sites
- PCI · Pentachlorophenol · ligand · 3 copies · chains A, B
- A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, B
- UNX · Unknown atom or ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 264 | 0.84 | 0.96 | 48 | A3P, PCI |
| 2 | 251 | 0.84 | 0.95 | 47 | A3P, PCI |
Interfaces
1 interface between chains.
- A–B · 385 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2GWH · Human Sulfotranferase SULT1C2 in complex with PAP and pentachlorophenol · the same entry in another collection · chain A against A, TM-score 1.00
- O75897 · AlphaFold monomer V2.0 prediction for sulfotransferase 1C4 (O75897) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 O75897
- Elsewhere: RCSB PDB 2GWH · PDBe 2GWH · UniProt O75897
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