Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T79326 | Target Info | |||
| Target Name | Ketohexokinase (KHK) | ||||
| Synonyms | Hepatic fructokinase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | KHK | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | beta-D-fructofuranose | Ligand Info | |||
| Canonical SMILES | C(C1C(C(C(O1)(CO)O)O)O)O | ||||
| InChI | 1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1 | ||||
| InChIKey | RFSUNEUAIZKAJO-ARQDHWQXSA-N | ||||
| PubChem Compound ID | 439709 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2HW1 Crystal structure of human ketohexokinase complexed to different sugar molecules | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
EKQILCVGLV
12 VLDVISLVDK22 YPKEDSEIRC32 LSQRWQRGGN42 ASNSCTVLSL52 LGAPCAFMGS 62 MAPGHVADFV72 LDDLRRYSVD82 LRYTVFQTTG92 SVPIATVIIN102 EASGSRTILY 112 YDRSLPDVSA122 TDFEKVDLTQ132 FKWIHIEGRN142 ASEQVKMLQR152 IDAHNTRQPP 162 EQKIRVSVEV172 EKPREELFQL182 FGYGDVVFVS192 KDVAKHLGFQ202 SAEEALRGLY 212 GRVRKGAVLV222 CAWAEEGADA232 LGPDGKLLHS242 DAFPPPRVVD252 TLGAGDTFNA 262 SVIFSLSQGR272 SVQEALRFGC282 QVAGKKCGLQ292 GFDGIV
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| PDB ID: 3NBV X-ray Structure of Ketohexokinase in complex with AMP-PNP and fructose | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [2] |
| PDB Sequence |
GSQILCVGLV
12 VLDVISLVDK22 YPKEDSEIRC32 LSQRWQRGGN42 ASNSCTVLSL52 LGAPCAFMGS 62 MAPGHVADFL72 VADFRRRGVD82 VSQVAWQSKG92 DTPSSCCIIN102 NSNGNRTIVL 112 HDTSLPDVSA122 TDFEKVDLTQ132 FKWIHIEGRN142 ASEQVKMLQR152 IDAHNTRQPP 162 EQKIRVSVEV172 EKPREELFQL182 FGYGDVVFVS192 KDVAKHLGFQ202 SAEEALRGLY 212 GRVRKGAVLV222 CAWAEEGADA232 LGPDGKLLHS242 DAFPPPRVVD252 TLGAGDTFNA 262 SVIFSLSQGR272 SVQEALRFGC282 QVAGKKCGLQ292 GFDGIV
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| PDB ID: 6UL7 Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [3] |
| PDB Sequence |
EEKQILCVGL
11 VVLDVISLVD21 KYPKEDSEIR31 CLSQRWQRGG41 NASNSCTVLS51 LLGAPCAFMG 61 SMAPGHVADF71 LVADFRRRGV81 DVSQVAWQSK91 GDTPSSCCII101 NNSNGNRTIV 111 LHDTSLPDVS121 ATDFEKVDLT131 QFKWIHIEGR141 NASEQVKMLQ151 RIDAHNTRQP 161 PEQKIRVSVE171 VEKPREELFQ181 LFGYGDVVFV191 SKDVAKHLGF201 QSAEEALRGL 211 YGRVRKGAVL221 VCAWAEEGAD231 ALGPDGKLLH241 SDAFPPPRVV251 DTLGAGDTFN 261 ASVIFSLSQG271 RSVQEALRFG281 CQVAGKKCGL291 QGFDGIV
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structures of alternatively spliced isoforms of human ketohexokinase. Acta Crystallogr D Biol Crystallogr. 2009 Mar;65(Pt 3):201-11. | ||||
| REF 2 | Electron density guided fragment-based lead discovery of ketohexokinase inhibitors. J Med Chem. 2010 Nov 25;53(22):7979-91. | ||||
| REF 3 | Structure of human ketohexokinase-C in complex with fructose, NO3, and osthole | ||||
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