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Crystal structure of arg-bound CASTOR1
Analyse Crystal structure of arg-bound CASTOR1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5GT7
- Type
- protein
- Length
- 1,219 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gats-like protein 3
- UniProt
- Q8WTX7
- Ligands
- ARG
- Pockets
- 17 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 30% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Gats-like protein 3 | protein | 305 | 30% helix, 32% strand | Q8WTX7 |
| B | Gats-like protein 3 | protein | 296 | 31% helix, 33% strand | Q8WTX7 |
| C | Gats-like protein 3 | protein | 318 | 28% helix, 31% strand | Q8WTX7 |
| D | Gats-like protein 3 | protein | 300 | 30% helix, 31% strand | Q8WTX7 |
Ligands and binding sites
- ARG · Arginine · ligand · 4 copies · chains A, B, C, D
- MLI · Malonate ion · additive · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1200 | 0.81 | 0.82 | 114 | MLI |
| 2 | 51 | 0.67 | 0.97 | 23 | ARG |
| 3 | 388 | 0.58 | 0.75 | 42 | empty |
| 4 | 129 | 0.49 | 0.79 | 28 | MLI |
| 5 | 132 | 0.45 | 0.77 | 27 | MLI |
Interfaces
5 interfaces between chains.
- C–D · 938 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 936 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 811 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 134 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 53 Ų buried · 0 hydrogen bonds · protein-protein
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 Q8WTX7
- Elsewhere: RCSB PDB 5GT7 · PDBe 5GT7 · UniProt Q8WTX7
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