MolNFT v1 · #188347 · protein
Crystal structure of zea mays inositol-tetrakisphosphate kinase 1 mutant (ZMITPK1-H192A) in complex with INSP6
7TN8 · Inositol-tetrakisphosphate 1-kinase 1: “Crystal structure of zea mays inositol-tetrakisphosphate kinase 1 mutant (ZMITPK1-H192A) in complex with INSP6”. X-ray diffraction, 2 ligands (IHP, CL), 2 pockets (best druggability 0.58).…
- PDB
- 7TN8
- Type
- protein
- Length
- 281 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol-tetrakisphosphate 1-kinase 1
- EC
- 2.7.1.134, 2.7.1.159
- UniProt
- Q84Y01
- Ligands
- IHP, CL
- Pockets
- 2 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol-tetrakisphosphate 1-kinase 1 (EC 2.7.1.134, 2.7.1.159) | protein | 281 | 35% helix, 28% strand | Q84Y01 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 269 | 0.58 | 0.78 | 48 | IHP |
| 2 | 84 | 0.39 | 0.78 | 19 | empty |
Compared structures
- 7TN8 · Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 mutant (ZmITPK1-H192A)… · the same entry in another collection · chain A against A, TM-score 1.00
- Q84Y01 · AlphaFold monomer V2.0 prediction for inositol-tetrakisphosphate 1-kinase 1 (Q84Y01) · a predicted model of the same protein · chain A against A, TM-score 0.88
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 Q84Y01
- Elsewhere: RCSB PDB 7TN8 · PDBe 7TN8 · UniProt Q84Y01
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