MolNFT v1 · #156710 · protein
Crystal structure of human ppargamma ligand binding domain in complex with arachidonic acid
6MCZ · Peroxisome proliferator-activated receptor gamma: “Crystal structure of human ppargamma ligand binding domain in complex with arachidonic acid”. X-ray diffraction, 1 ligand (ACD), 6 pockets (best druggability 0.81). MolNFT v1…
- PDB
- 6MCZ
- Type
- protein
- Length
- 512 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peroxisome proliferator-activated receptor gamma
- UniProt
- P37231
- Ligands
- ACD
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peroxisome proliferator-activated receptor gamma | protein | 255 | 69% helix, 5% strand | P37231 |
| B | Peroxisome proliferator-activated receptor gamma | protein | 257 | 68% helix, 5% strand | P37231 |
Ligands and binding sites
- ACD · Arachidonic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 768 | 0.81 | 0.84 | 77 | ACD |
| 2 | 566 | 0.80 | 0.85 | 56 | ACD |
| 3 | 460 | 0.61 | 0.76 | 43 | empty |
| 4 | 122 | 0.57 | 0.84 | 19 | empty |
| 5 | 127 | 0.52 | 0.81 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 918 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6MCZ · Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Arachidonic… · the same entry in another collection · chain A against A, TM-score 1.00
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 P37231
- Elsewhere: RCSB PDB 6MCZ · PDBe 6MCZ · UniProt P37231
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