Research workbench
Human FABP3 in complex with 6-chloro-2-methyl-4-phenyl-quinoline-3- carboxylic acid
Analyse Human FABP3 in complex with 6-chloro-2-methyl-4-phenyl-quinoline-3- carboxylic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5HZ9
- Type
- protein
- Length
- 1,079 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fatty acid-binding protein, heart
- UniProt
- P05413
- Ligands
- 5M8, SO4, CL
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 15% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, G, H | Fatty acid-binding protein, heart | protein | 135 | 16% helix, 57% strand | P05413 |
| F | Fatty acid-binding protein, heart | protein | 134 | 14% helix, 57% strand | P05413 |
Ligands and binding sites
- 5M8 · 6-chloranyl-2-methyl-4-phenyl-quinoline-3-carboxylic acid · ligand · 17 copies · chains A, E, G, H, B, F, C, D
- SO4 · Sulfate ion · ion · 19 copies · chains A, H, B, F, C, E, D, G
- CL · Chloride ion · ion · 2 copies · chains F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 300 | 0.84 | 0.95 | 35 | CL, 5M8 |
| 2 | 309 | 0.84 | 0.94 | 34 | 5M8 |
| 3 | 289 | 0.84 | 0.95 | 33 | 5M8 |
| 4 | 282 | 0.84 | 0.95 | 32 | 5M8 |
| 5 | 644 | 0.84 | 0.88 | 73 | 5M8, CL |
Interfaces
15 interfaces between chains.
- C–E · 484 Ų buried · 7 hydrogen bonds · protein-protein
- B–F · 466 Ų buried · 4 hydrogen bonds · protein-protein
- D–G · 446 Ų buried · 7 hydrogen bonds · protein-protein
- F–G · 444 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 440 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 5HZ9 · human FABP3 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid · the same entry in another collection · chain H against H, TM-score 1.00
- P05413 · AlphaFold monomer V2.0 prediction for fatty acid-binding protein, heart (P05413) · a predicted model of the same protein · chain F 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 P05413
- Elsewhere: RCSB PDB 5HZ9 · PDBe 5HZ9 · UniProt P05413
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