Ketohexokinase
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein homooligomer Homooligomer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count | Chain A； UniProt 5–298 Chain B； UniProt 5–298 Chain C； UniProt 5–298 Chain D； UniProt 5–298 | Non-standard monomer：Yes (specific site not provided by mmCIF) | UNX UNKNOWN LIGAND × 32 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 4.2；291 K；17% PEG8000, 5mM Cobalt Chloride, 200mM ammonium sulfate, 100mM NaCitrate, pH 4.2, vapor diffusion, sitting drop, temperature 291K | Resolution 1.85 Å R-free 0.249 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 2HLZ | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 2HQQ Crystal structure of human ketohexokinase complexed to different sugar molecules Deposited 2006-07-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Not recorded | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.7；291 K；0.7M ammonium sulphate, 0.5M lithium sulphate, 0.1M sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.86 Å R-free 0.234 |
| 2HW1 Crystal structure of human ketohexokinase complexed to different sugar molecules Deposited 2006-07-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Not recorded | FRU beta-D-fructofuranose × 2 SO4 SULFATE ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.7；291 K；0.7M ammonium sulphate, 0.5M lithium sulphate, 0.1M sodium citrate, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.10 Å R-free 0.228 |
| 3B3L Crystal structures of alternatively-spliced isoforms of human ketohexokinase Deposited 2007-10-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
Chain B
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；20% PEG 3000, 0.1M sodium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.90 Å R-free 0.281 |
| 3B3L Crystal structures of alternatively-spliced isoforms of human ketohexokinase Deposited 2007-10-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
1–298（298 aa）
Chain D
1–298（298 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.2；291 K；20% PEG 3000, 0.1M sodium acetate, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.90 Å R-free 0.281 |
| 3RO4 X-ray Structure of Ketohexokinase in complex with an indazole compound derivative Deposited 2011-04-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | SO4 SULFATE ION × 2 LJ9 3-ethyl-6-[(3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-1-phenyl-1H-indazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；295 K；17% PEG 8k, 0.1M Na-Citrate, 0.2M Ammonium sulfate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K
|
Resolution 2.60 Å R-free 0.297 |
| 5WBM Structure of human Ketohexokinase complexed with hits from fragment screening Deposited 2017-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A4G [(3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol × 3 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；17% PEG 8k, 0.1M Na-Citrate, 0.2M Ammonium sulfate, pH 4.5
|
Resolution 2.16 Å R-free 0.227 |
| 5WBO Structure of human Ketohexokinase complexed with hits from fragment screening Deposited 2017-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A1Y 4,6-dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile × 2 SO4 SULFATE ION × 3 CIT CITRIC ACID × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；17% PEG 8k, 0.1M Na-Citrate, 0.2M Ammonium sulfate, pH 4.5
|
Resolution 2.25 Å R-free 0.223 |
| 5WBP Structure of human Ketohexokinase complexed with hits from fragment screening Deposited 2017-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A2J 3-(trifluoromethyl)quinoxalin-2(1H)-one × 1 SO4 SULFATE ION × 5 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；17% PEG 8k, 0.1M Na-Citrate, 0.2M Ammonium sulfate, pH 4.5
|
Resolution 2.74 Å R-free 0.229 |
| 5WBQ Structure of human Ketohexokinase complexed with hits from fragment screening Deposited 2017-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A3J 2-ethyl-7-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile × 2 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；17% PEG 8k, 0.1M Na-Citrate, 0.2M Ammonium sulfate, pH 4.5
|
Resolution 2.40 Å R-free 0.248 |
| 5WBR Structure of human Ketohexokinase complexed with hits from fragment screening Deposited 2017-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A3Y 6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile × 2 SO4 SULFATE ION × 5 CIT CITRIC ACID × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；17% PEG 8k, 0.1M Na-Citrate, 0.2M Ammonium sulfate, pH 4.5
|
Resolution 2.58 Å R-free 0.241 |
| 5WBZ Structure of human Ketohexokinase complexed with hits from fragment screening Deposited 2017-06-29 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A4J 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile × 2 SO4 SULFATE ION × 3 CIT CITRIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；17% PEG 8k, 0.1M Na-Citrate, 0.2M Ammonium sulfate, pH 4.5
|
Resolution 2.40 Å R-free 0.214 |
| 6UL7 Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole Deposited 2019-10-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
|
Not recorded | FRU beta-D-fructofuranose × 2 A0O 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one × 2 NO3 NITRATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；290.15 K；0.1 M Bis-Tris, pH 5.5, 2 M ammonium sulfate, 1.3 M potassium nitrate, 100 mM magnesium chloride, 220 mM fructose, 3.8 mM osthole
|
Resolution 2.30 Å R-free 0.278 |
| 6W0N Structure of KHK in complex with compound 2 Deposited 2020-03-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | RYS 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile × 2 SO4 SULFATE ION × 3 CIT CITRIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；295 K；17% PEG 8000, 100 mM Na citrate, pH 4.5, and 0.2 M ammonium sulfate
|
Resolution 2.41 Å R-free 0.204 |
| 6W0W Structure of KHK in complex with compound 3 Deposited 2020-03-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | RZA 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile × 2 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；17-20% PEG 8000, 100 mM sodium citrate, pH 4.4-4.7, and 0.2 M ammonium sulfate
|
Resolution 2.80 Å R-free 0.216 |
| 6W0X Structure of KHK in complex with compound 4 (6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile) Deposited 2020-03-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | S6J 6-[(1~{S},5~{R})-6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；17-20% PEG8000, 100 mM sodium citrate, pH 4.4-4.7, 0.2 M ammonium sulfate
|
Resolution 2.38 Å R-free 0.206 |
| 6W0Y Structure of KHK in complex with compound 6 (2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid) Deposited 2020-03-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | S6S 2-[(1~{R},5~{S})-3-[5-cyano-6-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid × 2 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；17-20% PEG8000, 100 mM sodium citrate, pH 4.4-4.7, 0.2 M ammonium sulfate
|
Resolution 2.54 Å R-free 0.205 |
| 6W0Z Structure of KHK in complex with compound 8 (2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid) Deposited 2020-03-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | S6D 2-[(1~{S},5~{R})-3-[2-[(2~{S})-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]-3-azabicyclo[3.1.0]hexan-6-yl]ethanoic acid × 2 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；295 K；17-20% PEG8000, 100 mM sodium citrate, pH 4.4-4.7, 0.2 M ammonium sulfate
|
Resolution 2.30 Å R-free 0.195 |
| 8OME Crystal structure of hKHK-A in complex with compound-4 Deposited 2023-03-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–298（298 aa）
Chain D
1–298（298 aa）
|
Not recorded | VTJ compound × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；15 % PEG 3350, 0.1 M ammonium formate pH 4.5
|
Resolution 2.00 Å R-free 0.231 |
| 8OME Crystal structure of hKHK-A in complex with compound-4 Deposited 2023-03-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
1–298（298 aa）
Chain C
1–298（298 aa）
|
Not recorded | VTJ compound × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；15 % PEG 3350, 0.1 M ammonium formate pH 4.5
|
Resolution 2.00 Å R-free 0.231 |
| 8OMF Crystal structure of hKHK-C in complex with compound-4 Deposited 2023-03-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | SO4 SULFATE ION × 4 VTJ compound × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；20% PEG 3350 and 0.1 mM BIS-TRIS Propane pH 7.5
|
Resolution 2.14 Å R-free 0.254 |
| 8OMJ hKHK-C in complex with compound 28 Deposited 2023-03-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | VTM [3-[[6-[(3~{a}~{R},6~{a}~{S})-2,3,3~{a},4,6,6~{a}-hexahydro-1~{H}-pyrrolo[3,4-c]pyrrol-5-yl]-3-cyano-4-(trifluoromethyl)pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]methoxy-methyl-phosphinic acid × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；13% PEG 8000, 0.2 M ammonium sulfate, 0.1 M tri-sodium citrate pH 4.2
|
Resolution 1.98 Å R-free 0.252 |
| 8OMK hKHK-C in complex with ADP & fructose 1-phosphate Deposited 2023-03-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | F1X 1-O-phosphono-beta-D-fructofuranose × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；2 M ammonium sulphate
|
Resolution 2.48 Å R-free 0.219 |
| 8UG1 Crystal structure of KHK-C and compound 13 Deposited 2023-10-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | WNH {(2R)-1-[(4M)-4-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl}methanol × 2 SO4 SULFATE ION × 8 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Polyethylene glycol 8,000, Ammonium Sulfate, tri-Sodium citrate
|
Resolution 1.99 Å R-free 0.205 |
| 8UG3 Crystal structure of KHK-C and compound 23 Deposited 2023-10-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | WRE 2-[(4P)-4-{2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl}-1H-pyrazol-1-yl]-1-(piperazin-1-yl)ethan-1-one × 2 SO4 SULFATE ION × 7 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Polyethylene glycol 8,000, Ammonium Sulfate, tri-Sodium citrate
|
Resolution 2.02 Å R-free 0.216 |
| 9FHD hKHK-C in fomplex with BI-9787 Deposited 2024-05-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | SO4 SULFATE ION × 3 A1ICK (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277.15 K；13% PEG 8000, 0.2 M ammonium sulfate, 0.1 M tri-sodium citrate pH 4.2
|
Resolution 1.84 Å R-free 0.204 |
| 9FHE hKHK-C in complex with BI-9787 (pH 5.5) Deposited 2024-05-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A1ICK (2~{S})-3-[3-[[4-[bis(fluoranyl)methyl]-3-cyano-6-[(3~{S})-3-(dimethylamino)pyrrolidin-1-yl]pyridin-2-yl]amino]-4-methylsulfanyl-phenyl]-2-methyl-propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293.15 K；0.1 M ammonium acetate, 17% PEG 10,000, 0.1M BIS-TRIS pH 5.5
|
Resolution 2.31 Å R-free 0.235 |
| 9Z28 KHK Bound to Compound 7 Deposited 2025-11-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A1C0G 4-methyl-2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine × 2 SO4 SULFATE ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；100 mM NaCitrate pH 4.5, 200 mM Ammonium Sulfate, 10-15% PEG 8000
|
Resolution 2.15 Å R-free 0.225 |
| 9Z29 KHK Bound to Compound 9 Deposited 2025-11-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A1C0I 4-{2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl}benzamide × 2 FRU beta-D-fructofuranose × 1 SO4 SULFATE ION × 3 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；100 mM NaCitrate pH 4.5, 200 mM Ammonium Sulfate, 10-15% PEG 8000
|
Resolution 1.97 Å R-free 0.249 |
| 9Z2A KHK Bound to Compound 12 Deposited 2025-11-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A1C0K (3M)-3-{2-[(2S)-2-methylazetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl}benzene-1-sulfonamide × 2 FRU beta-D-fructofuranose × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；100 mM NaCitrate pH 4.5, 200 mM Ammonium Sulfate, 10-15% PEG 8000
|
Resolution 2.00 Å R-free 0.237 |
| 9Z2B KHK Bound to Compound 18 Deposited 2025-11-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A1C0J (2S,3R)-1-{4-[4-(3-aminooxetan-3-yl)phenyl]-7,7-difluoro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl}-2-methylazetidin-3-ol × 2 SO4 SULFATE ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；100 mM NaCitrate pH 4.5, 200 mM Ammonium Sulfate, 10-15% PEG 8000
|
Resolution 2.11 Å R-free 0.250 |
| 9Z2C KHK Bound to GS-1291269 Deposited 2025-11-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–298（294 aa）
Chain B
5–298（294 aa）
|
Not recorded | A1C0H 3-amino-3-(4-{7,7-difluoro-2-[(2R)-2-(trifluoromethyl)azetidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl}phenyl)-1lambda~6~-thietane-1,1-dione × 2 FRU beta-D-fructofuranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293.15 K；100 mM NaCitrate pH 4.5, 200 mM Ammonium Sulfate, 10-15% PEG 8000
|
Resolution 2.02 Å R-free 0.231 |
29 other PDB entries and 31 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | KHK_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 19–312； UniProt 5–298 Author chain B； PDBConstruct 19–312； UniProt 5–298 Author chain C； PDBConstruct 19–312； UniProt 5–298 Author chain D； PDBConstruct 19–312； UniProt 5–298 |