MolNFT v1 · #169888 · protein
Receptor for advanced glycation end products VC1 domain in complex with 3-(3-((4-(4-CARBOXYPHENOXY)BENZYL)OXY)PHENYL)-1H-indole-2- carboxylic acid
6XQ1 · Advanced glycosylation end product-specific receptor: “Receptor for advanced glycation end products VC1 domain in complex with…”. X-ray diffraction, 2 ligands (V74, CL), 5 pockets (best druggability 0.41). MolNFT v1 #169888 on…
- PDB
- 6XQ1
- Type
- protein
- Length
- 424 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Advanced glycosylation end product-specific receptor
- UniProt
- Q15109
- Ligands
- V74, CL
- Pockets
- 5 · best druggability 0.41
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Advanced glycosylation end product-specific receptor | protein | 212 | 3% helix, 48% strand | Q15109 |
Ligands and binding sites
- V74 · 3-[3-({[3-(4-carboxyphenoxy)phenyl]methoxy}methyl) phenyl]-1H-indole-2-carboxylic acid · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- ACT · Acetate ion · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 94 | 0.41 | 0.77 | 20 | empty |
| 2 | 136 | 0.40 | 0.74 | 18 | empty |
| 3 | 114 | 0.39 | 0.75 | 21 | empty |
| 4 | 92 | 0.37 | 0.75 | 22 | empty |
| 5 | 68 | 0.37 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 578 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6XQ1 · Receptor for Advanced Glycation End Products VC1 domain in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q15109 · AlphaFold monomer V2.0 prediction for advanced glycosylation end product-specific… · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q15109
- Elsewhere: RCSB PDB 6XQ1 · PDBe 6XQ1 · UniProt Q15109
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