MolNFT v1 · #27536 · protein
Structure of human dcps
1XML · Heat shock-like protein 1: “Structure of human dcps”. X-ray diffraction, 1 ligand (PO4), 8 pockets (best druggability 0.76). MolNFT v1 #27536 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1XML
- Type
- protein
- Length
- 566 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Heat shock-like protein 1
- Ligands
- PO4
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Heat shock-like protein 1 | protein | 282 | 34% helix, 30% strand | — |
| A | Heat shock-like protein 1 | protein | 284 | 35% helix, 30% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 775 | 0.76 | 0.80 | 63 | empty |
| 2 | 181 | 0.50 | 0.77 | 25 | empty |
| 3 | 141 | 0.50 | 0.79 | 18 | empty |
| 4 | 162 | 0.42 | 0.74 | 25 | empty |
| 5 | 89 | 0.42 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- B–A · 3980 Ų buried · 56 hydrogen bonds · protein-protein
Compared structures
- 1XML · Structure of human Dcps · the same entry in another collection · chain B against B, 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
- Elsewhere: RCSB PDB 1XML · PDBe 1XML
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