MolNFT v1 · #122446 · protein
Human histidine triad nucleotide binding protein 1 (HHINT1) nucleoside thiophosphoramidate catalytic product complex
5IPE · Histidine triad nucleotide-binding protein 1: “Human histidine triad nucleotide binding protein 1 (HHINT1) nucleoside thiophosphoramidate catalytic product…”. X-ray diffraction, 2 ligands (6CG, CL), 2 pockets (best druggability…
- PDB
- 5IPE
- Type
- protein
- Length
- 227 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histidine triad nucleotide-binding protein 1
- EC
- 3.-.-.-
- UniProt
- P49773
- Ligands
- 6CG, CL
- Pockets
- 2 · best druggability 0.36
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histidine triad nucleotide-binding protein 1 (EC 3.-.-.-) | protein | 115 | 29% helix, 24% strand | P49773 |
| B | Histidine triad nucleotide-binding protein 1 (EC 3.-.-.-) | protein | 112 | 29% helix, 25% strand | P49773 |
Ligands and binding sites
- 6CG · 5'-S-phosphono-5'-thioguanosine · ligand · chains A, B
- CL · Chloride ion · ion · chains B
- EDO · 1,2-ethanediol · additive · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 96 | 0.36 | 0.75 | 26 | 6CG, EDO |
| 2 | 70 | 0.32 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2006 Ų buried · 45 hydrogen bonds · protein-protein
Compared structures
- 5IPE · Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) nucleoside… · the same entry in another collection · chain A against A, 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
- Every structure of UniProt P49773
- Elsewhere: RCSB PDB 5IPE · PDBe 5IPE · UniProt P49773
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