MolNFT v1 · #65172 · protein
Crystal structure of pagp in SDS/MPD
3GP6 · Protein pagp: “Crystal structure of pagp in SDS/MPD”. X-ray diffraction, 2 ligands (LI, SO4), 1 pocket (best druggability 0.66). MolNFT v1 #65172 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3GP6
- Type
- protein
- Length
- 155 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein pagp
- UniProt
- P37001
- Ligands
- LI, SO4
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 13% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein pagp | protein | 155 | 13% helix, 57% strand | P37001 |
Ligands and binding sites
- LI · Lithium ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · 6 copies · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 9 copies · chains A
- SDS · Dodecyl sulfate · additive · 6 copies · chains A
- MRD · (4R)-2-methylpentane-2,4-diol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 299 | 0.66 | 0.81 | 34 | SDS, SO4 |
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 P37001
- Elsewhere: RCSB PDB 3GP6 · PDBe 3GP6 · UniProt P37001
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