MolNFT v1 · #121677 · protein
Human histidine triad nucleotide binding protein 1 (HHINT1) with bound sulfamide inhibitor bio-ams
5I2F · Histidine triad nucleotide-binding protein 1: “Human histidine triad nucleotide binding protein 1 (HHINT1) with bound sulfamide inhibitor bio-ams”. X-ray diffraction, 1 ligand (BS5), 2 pockets (best druggability 0.38). MolNFT v1…
- PDB
- 5I2F
- Type
- protein
- Length
- 228 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
- BS5
- Pockets
- 2 · best druggability 0.38
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Histidine triad nucleotide-binding protein 1 (EC 3.-.-.-) | protein | 112 | 29% helix, 25% strand | P49773 |
| A | Histidine triad nucleotide-binding protein 1 (EC 3.-.-.-) | protein | 116 | 28% helix, 24% strand | P49773 |
Ligands and binding sites
- BS5 · 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine · ligand · chains B, A
- 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 | 99 | 0.38 | 0.75 | 27 | BS5 |
| 2 | 59 | 0.31 | 0.75 | 22 | empty |
Interfaces
1 interface between chains.
- B–A · 2002 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 5I2F · Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) with bound sulfamide… · 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
- Every structure of UniProt P49773
- Elsewhere: RCSB PDB 5I2F · PDBe 5I2F · UniProt P49773
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