MolNFT v1 · #95349 · protein
Human histidine triad nucleotide binding protein 2 with bound AMP
4INI · Histidine triad nucleotide-binding protein 2, mitochondrial: “Human histidine triad nucleotide binding protein 2 with bound AMP”. X-ray diffraction, 1 ligand (AMP), 2 pockets (best druggability 0.43). MolNFT v1 #95349 on GenesisL1…
- PDB
- 4INI
- Type
- protein
- Length
- 214 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
- AMP
- Pockets
- 2 · best druggability 0.43
Structure
x-ray diffraction · 2 distinct chains · 24% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histidine triad nucleotide-binding protein 2, mitochondrial (EC 3.-.-.-) | protein | 102 | 23% helix, 27% strand | Q9BX68 |
| B | Histidine triad nucleotide-binding protein 2, mitochondrial (EC 3.-.-.-) | protein | 112 | 25% helix, 25% strand | Q9BX68 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains A
- PG5 · 1-methoxy-2-[2-(2-methoxy-ethoxy]-ethane · additive · chains 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.43 | 0.83 | 13 | AMP |
| 2 | 81 | 0.35 | 0.75 | 22 | AMP |
Interfaces
1 interface between chains.
- A–B · 2054 Ų buried · 43 hydrogen bonds · protein-protein
Compared structures
- 4INI · Human Histidine Triad Nucleotide Binding Protein 2 with Bound AMP · 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 4INI · PDBe 4INI · UniProt Q9BX68
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