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Human histidine triad nucleotide binding protein 1 (HINT1) with bound 5'-O-[3-phenyl-1-ETHYL]CARBAMOYL guanosine

Analyse Human histidine triad nucleotide binding protein 1 (HINT1) with bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N3W
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
UniProt
P49773
Ligands
KBJ
Pockets
2 · best druggability 0.39

Structure

x-ray diffraction · 2 distinct chains · 29% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistidine triad nucleotide-binding protein 1protein11529% helix, 24% strandP49773
BHistidine triad nucleotide-binding protein 1protein11229% helix, 25% strandP49773

Ligands and binding sites

  • KBJ · 5'-O-[(2-phenylethyl)carbamoyl]guanosine · ligand · chains A, B

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11010.390.7627KBJ
2750.330.7419empty

Interfaces

1 interface between chains.

  • A–B · 2016 Ų buried · 47 hydrogen bonds · protein-protein

Compared structures

  • 6N3W · Human Histidine Triad Nucleotide Binding Protein 1 (Hint1) with Bound… · the same entry in another collection · chain A against A, TM-score 1.00

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