PDB 7qie biological assemblies and structure analysis ‹ Protein Data Bank in Europe (PDBe)

Assemblies

Assembly 1 (preferred)

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Assembly Name: Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
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Multimeric state: homo dimer

Accessible surface area: 28142.99 Å²

Buried surface area: 2149.11 Å²

Dissociation area: 1,074.55 Å²

Dissociation energy (ΔG^diss): 2.24 kcal/mol

Dissociation entropy (TΔS^diss): 13.45 kcal/mol

Symmetry number: 2

PDBe Complex ID: PDB-CPX-186181

$Homo dimeric assembly 1 of PDB entry 7qie coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>2 copies of Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma;</li> <li class='image_legend_li'>2 copies of 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Homo dimeric assembly 1 of PDB entry 7qie coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>2 copies of Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma;</li> <li class='image_legend_li'>2 copies of 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Homo dimeric assembly 1 of PDB entry 7qie coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>2 copies of Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma;</li> <li class='image_legend_li'>2 copies of 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

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Assembly 2

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Assembly Name: Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma
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Multimeric state: homo dimer

Accessible surface area: 30359.23 Å²

Buried surface area: 2060.8 Å²

Dissociation area: 1,030.4 Å²

Dissociation energy (ΔG^diss): 1.9 kcal/mol

Dissociation entropy (TΔS^diss): 13.49 kcal/mol

Symmetry number: 2

PDBe Complex ID: PDB-CPX-186181

$Homo dimeric assembly 2 of PDB entry 7qie coloured by chemically distinct molecules, front view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>2 copies of Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma;</li> <li class='image_legend_li'>2 copies of 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Homo dimeric assembly 2 of PDB entry 7qie coloured by chemically distinct molecules, side view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>2 copies of Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma;</li> <li class='image_legend_li'>2 copies of 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

$Homo dimeric assembly 2 of PDB entry 7qie coloured by chemically distinct molecules, top view. This structure contains: <ul class='image_legend_ul'><li class='image_legend_li'>2 copies of Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma;</li> <li class='image_legend_li'>2 copies of 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;</li> <li class='image_legend_li'>1 copy of water.</li></ul>}$

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Macromolecules

Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma

Chains: A, B, C, D
Length: 363 amino acids
Theoretical weight: 42.02 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:

Canonical: Q8TBX8 (Residues: 32-421; Coverage: 83%)

Gene names: PIP4K2C, PIP5K2C
Pfam: Phosphatidylinositol-4-phosphate 5-Kinase
InterPro:

Phosphatidylinositol-4-phosphate 5-kinase, N-terminal
Phosphatidylinositol-4/5-phosphate 5/4-kinase
Phosphatidylinositol-4-phosphate 4/5-kinase, core

Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma in PDB entry 7qie, assembly 1, front view.

Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma in PDB entry 7qie, assembly 1, side view.

Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma in PDB entry 7qie, assembly 1, top view.

FASTA Sequence


    >pdb|7qie|A B C D

MGHHHHHHENLYFQGHFVQQKVKVFRAADPLVGVFLWGVAHSINELSQVPPPVMLLPDDFKASSKIKVNNHLFHRENLPSHFKFKEYCPQVFRNLRDRFGIDDQDYLVSLTRNPPSESEGSDGRFLISYDRTLVIKEVSSEDIADMHSNLSNYHQYIVKCHGNTLLPQFLGMYRVSVDNEDSYMLVMRNMFSHRLPVHRKYDLKGSLVSREASDKEKVKELPTLKDMDFLNKNQKVYIGEEEKKIFLEKLKRDVEFLVQLKIMDYSLLLGIHDIIRGSEPEEELGPGEFESFIDVYAIRSAEGAPQKEVYFMGLIDILTQYDAKKKAAHAAKTVKHGAGAEISTVHPEQYAKRFLDFITNIFA

PDBe-KB: UniProt Coverage View: Q8TBX8

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UniProt

Q8TBX8

Mapping to UniProt PI42C_HUMAN

Chains

RSRZ Outlier Chain A

Chain A

RSRZ Outlier Chain B

Chain B

RSRZ Outlier Chain C

Chain C

RSRZ Outlier Chain D

Chain D

Domains

Residues mapped to InterPro annotations

Secondary structure

Residues forming Helix

Residues forming Strand

Ligand binding sites

Residues binding 5-methyl-2-(2-propan-2-ylphenyl)-~{N}-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine <img src="https://www.ebi.ac.uk/pdbe/static/files/pdbechem_v2/DVF_200.svg" />

Interaction interfaces

Residues interacting with Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma (Q8TBX8)

Sequence conservation

Amino acid probabilities The amino acid probabilities are calculated using HMM profiles based on multiple sequence alignments. Click to see more details...

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Molecule details ›

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FASTA (Protein chains A, B, C, D)
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SIFTS XML file with residue-level mappings

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BLAST Q8TBX8 (UniProt)

Protein Data Bank in Europe

Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor

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Assemblies

Assembly 1 (preferred)

Assembly 2

Macromolecules

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PDBe › 7qie › Structure analysis

Crystal Structure of Phosphatidylinositol 5-Phosphate 4-Kinase (PI5P4K2C) bound to an allosteric inhibitor

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Assemblies

Assembly 1 (preferred)

Assembly 2

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7qie › Structure analysis