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MolNFT v1 · #188346 · protein

Crystal structure of zea mays inositol-tetrakisphosphate kinase 1 mutant (ZMITPK1 residues 18-218-gly-ser-gly-ser-gly-248-328)

7TN7 · Inositol-tetrakisphosphate 1-kinase 1: “Crystal structure of zea mays inositol-tetrakisphosphate kinase 1 mutant (ZMITPK1 residues…”. X-ray diffraction, 2 ligands (PO4, CL), 2 pockets (best druggability 0.56). MolNFT v1 #188346 on…

PDB
7TN7
Type
protein
Length
267 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
PO4, CL
Pockets
2 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInositol-tetrakisphosphate 1-kinase 1 (EC 2.7.1.134, 2.7.1.159)protein26736% helix, 26% strandQ84Y01

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A
  • CL · Chloride ion · ion · chains 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12310.560.7836PO4
21010.450.7922empty

Compared structures

  • 7TN7 · Crystal structure of Zea mays Inositol-tetrakisphosphate Kinase 1 mutant (ZmITPK1… · 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 0.92

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