MolNFT v1 · #13019 · protein
Crystal structure of thermoplasma acidophilum 0175 (APC014)
1KYT · Hypothetical protein TA0175: “Crystal structure of thermoplasma acidophilum 0175 (APC014)”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.72). MolNFT v1 #13019 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 1KYT
- Type
- protein
- Length
- 450 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein TA0175
- UniProt
- Q9HLQ2
- Ligands
- CA
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hypothetical protein TA0175 | protein | 225 | 42% helix, 21% strand | Q9HLQ2 |
Ligands and binding sites
- CA · Calcium ion · metal · 6 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 644 | 0.72 | 0.79 | 60 | empty |
| 2 | 74 | 0.44 | 0.81 | 25 | empty |
| 3 | 133 | 0.44 | 0.76 | 31 | CA |
| 4 | 88 | 0.32 | 0.73 | 21 | CA |
| 5 | 78 | 0.31 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 759 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
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 Q9HLQ2
- Elsewhere: RCSB PDB 1KYT · PDBe 1KYT · UniProt Q9HLQ2
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