MolNFT v1 · #124677 · protein
Human histidine triad nucleotide binding protein 2 (HHINT2) triciribine 5'-monoposphate catalytic product complex
5KM5 · Histidine triad nucleotide-binding protein 2, mitochondrial: “Human histidine triad nucleotide binding protein 2 (HHINT2) triciribine 5'-monoposphate catalytic product…”. X-ray diffraction, 2 ligands (TR5, CL), 1 pocket (best…
- PDB
- 5KM5
- Type
- protein
- Length
- 213 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histidine triad nucleotide-binding protein 2, mitochondrial
- EC
- 3.-.-.-
- UniProt
- Q9BX68
- Ligands
- TR5, CL
- Pockets
- 1 · best druggability 0.36
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histidine triad nucleotide-binding protein 2, mitochondrial (EC 3.-.-.-) | protein | 101 | 26% helix, 28% strand | Q9BX68 |
| B | Histidine triad nucleotide-binding protein 2, mitochondrial (EC 3.-.-.-) | protein | 112 | 25% helix, 25% strand | Q9BX68 |
Ligands and binding sites
- TR5 · 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine · ligand · chains A, B
- CL · Chloride ion · ion · chains A
- PG4 · Tetraethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.36 | 0.75 | 22 | TR5 |
Interfaces
1 interface between chains.
- A–B · 2077 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 5KM5 · Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) triciribine 5'-monoposphate… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BX68 · AlphaFold monomer V2.0 prediction for histidine triad nucleotide- binding protein 2… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q9BX68
- Elsewhere: RCSB PDB 5KM5 · PDBe 5KM5 · UniProt Q9BX68
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