Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T87166 | Target Info | |||
| Target Name | Glucokinase (GCK) | ||||
| Synonyms | Hexokinase type IV; Hexokinase D; HK4; HK IV | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GCK | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol | Ligand Info | |||
| Canonical SMILES | C(C1C(C(C(C(O1)O)O)O)O)O | ||||
| InChI | 1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 | ||||
| InChIKey | WQZGKKKJIJFFOK-DVKNGEFBSA-N | ||||
| PubChem Compound ID | 79025 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7T78 CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND DIETHYL ({2-[3-(4-METHANESULFONYLPHENO XY)-5-{[(2S)-1-METHOXYPROPAN-2-YL]OXY}BENZAMIDO]-1,3-THIAZ OL-4-YL}METHYL)PHOSPHONATE | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
LTLVEQILAE
22 FQLQEEDLKK32 VMRRMQKEMD42 RGLRLETHEE52 ASVKMLPTYV62 RSTPEGSEVG 72 DFLSLDLGGT82 NFRVMLVKVG92 QWSVKTKHQM107 YSIPEDAMTG117 TAEMLFDYIS 127 ECISDFLDKH137 QMKHKKLPLG147 FTFSFPVRHE157 DIDKGILLNW167 TKGFKASGAE 177 GNNVVGLLRD187 AIKRRGDFEM197 DVVAMVNDTV207 ATMISCYYED217 HQCEVGMIVG 227 TGCNACYMEE237 MQNVELVEGD247 EGRMCVNTEW257 GAFGDSGELD267 EFLLEYDRLV 277 DESSANPGQQ287 LYEKLIGGKY297 MGELVRLVLL307 RLVDENLLFH317 GEASEQLRTR 327 GAFETRFVSQ337 VESDTGDRKQ347 IYNILSTLGL357 RPSTTDCDIV367 RRACESVSTR 377 AAHMCSAGLA387 GVINRMRESR397 SVMRITVGVD409 GSVYKLHPSF419 KERFHASVRR 429 LTPSCEITFI439 ESEEGSGRGA449 ALVSAVACKK459 A
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| PDB ID: 7T79 CRYSTAL STRUCTURE OF GLUCOKINASE (HEXOKINASE 4) COMPLEXED WITH LIGAND AKA DIETHYL {[3-(3-{[5-(AZETIDINE-1-CARBON YL)PYRAZIN-2-YL]OXY}-5-(PROPAN-2-YLOXY)BENZAMIDO)-1H- PYRAZOL-1-YL]METHYL}PHOSPHONATE | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [1] |
| PDB Sequence |
TLVEQILAEF
23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR63 STPEGSEVGD 73 FLSLDLGNFR85 VMLVKVGEQW99 SVKTKHQMYS109 IPEDAMTGTA119 EMLFDYISEC 129 ISDFLDKHQM139 KHKKLPLGFT149 FSFPVRHEDI159 DKGILLNWTK169 GFKASGAEGN 179 NVVGLLRDAI189 KRRGDFEMDV199 VAMVNDTVAT209 MISCYYEDHQ219 CEVGMIVGTG 229 CNACYMEEMQ239 NVELVEGDEG249 RMCVNTEWGA259 FGDSGELDEF269 LLEYDRLVDE 279 SSANPGQQLY289 EKLIGGKYMG299 ELVRLVLLRL309 VDENLLFHGE319 ASEQLRTRGA 329 FETRFVSQVE339 SDTGDRKQIY349 NILSTLGLRP359 STTDCDIVRR369 ACESVSTRAA 379 HMCSAGLAGV389 INRMRESRSE399 DVMRITVGVD409 GSVYKLHPSF419 KERFHASVRR 429 LTPSCEITFI439 ESEEGSGRGA449 ALVSAVACKK459 ACMLG
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| PDB ID: 3S41 Glucokinase in complex with activator and glucose | ||||||
| Method | X-ray diffraction | Resolution | 2.18 Å | Mutation | No | [2] |
| PDB Sequence |
ENLYFQGMKK
13 EKVEQILAEF23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR 63 STPEGSEVGD73 FLSLDLGGTN83 FRVMLVKVGS100 VKTKHQMYSI110 PEDAMTGTAE 120 MLFDYISECI130 SDFLDKHQMK140 HKKLPLGFTF150 SFPVRHEDID160 KGILLNWTKG 170 FKASGAEGNN180 VVGLLRDAIK190 RRGDFEMDVV200 AMVNDTVATM210 ISCYYEDHQC 220 EVGMIVGTGC230 NACYMEEMQN240 VELVEGDEGR250 MCVNTEWGAF260 GDSGELDEFL 270 LEYDRLVDES280 SANPGQQLYE290 KLIGGKYMGE300 LVRLVLLRLV310 DENLLFHGEA 320 SEQLRTRGAF330 ETRFVSQVES340 DTGDRKQIYN350 ILSTLGLRPS360 TTDCDIVRRA 370 CESVSTRAAH380 MCSAGLAGVI390 NRMRESRSED400 VMRITVGVDG410 SVYKLHPSFK 420 ERFHASVRRL430 TPSCEITFIE440 SEEGSGRGAA450 LVSAVACK
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| PDB ID: 4DHY Crystal structure of human glucokinase in complex with glucose and activator | ||||||
| Method | X-ray diffraction | Resolution | 2.38 Å | Mutation | No | [3] |
| PDB Sequence |
ENLYFQGMKK
13 EKVEQILAEF23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR 63 STPEGSEVGD73 FLSLDLGGTN83 FRVMLVKVGS100 VKTKHQMYSI110 PEDAMTGTAE 120 MLFDYISECI130 SDFLDKHQMK140 HKKLPLGFTF150 SFPVRHEDID160 KGILLNWTKG 170 FKASGAEGNN180 VVGLLRDAIK190 RRGDFEMDVV200 AMVNDTVATM210 ISCYYEDHQC 220 EVGMIVGTGC230 NACYMEEMQN240 VELVEGDEGR250 MCVNTEWGAF260 GDSGELDEFL 270 LEYDRLVDES280 SANPGQQLYE290 KLIGGKYMGE300 LVRLVLLRLV310 DENLLFHGEA 320 SEQLRTRGAF330 ETRFVSQVES340 DTGDRKQIYN350 ILSTLGLRPS360 TTDCDIVRRA 370 CESVSTRAAH380 MCSAGLAGVI390 NRMRESRSED400 VMRITVGVDG410 SVYKLHPSFK 420 ERFHASVRRL430 TPSCEITFIE440 SEEGSGRGAA450 LVSAVACK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3F9M Human pancreatic glucokinase in complex with glucose and activator showing a mobile flap | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [4] |
| PDB Sequence |
ENLYFQGMKK
13 EKVEQILAEF23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR 63 STPEGSEVGD73 FLSLDLGGTN83 FRVMLVKVGE93 QWSVKTKHQM107 YSIPEDAMTG 117 TAEMLFDYIS127 ECISDFLDKH137 QMKHKKLPLG147 FTFSFPVRHE157 DIDKGILLNW 167 TKGFKASGAE177 GNNVVGLLRD187 AIKRRGDFEM197 DVVAMVNDTV207 ATMISCYYED 217 HQCEVGMIVG227 TGCNACYMEE237 MQNVELVEGD247 EGRMCVNTEW257 GAFGDSGELD 267 EFLLEYDRLV277 DESSANPGQQ287 LYEKLIGGKY297 MGELVRLVLL307 RLVDENLLFH 317 GEASEQLRTR327 GAFETRFVSQ337 VESDTGDRKQ347 IYNILSTLGL357 RPSTTDCDIV 367 RRACESVSTR377 AAHMCSAGLA387 GVINRMRESR397 SEDVMRITVG407 VDGSVYKLHP 417 SFKERFHASV427 RRLTPSCEIT437 FIESEEGSGR447 GAALVSAVAC457 K |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:80 or .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4NO7 Human Glucokinase in complex with a nanomolar activator. | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [4] |
| PDB Sequence |
NLYFQGMKKE
14 KVEQILAEFQ24 LQEEDLKKVM34 RRMQKEMDRG44 LRLETHEEAS54 VKMLPTYVRS 64 TPEGSEVGDF74 LSLDLGGTNF84 RVMLVKVSVK102 TKHQMYSIPE112 DAMTGTAEML 122 FDYISECISD132 FLDKHQMKHK142 KLPLGFTFSF152 PVRHEDIDKG162 ILLNWTKGFK 172 ASGAEGNNVV182 GLLRDAIKRR192 GDFEMDVVAM202 VNDTVATMIS212 CYYEDHQCEV 222 GMIVGTGCNA232 CYMEEMQNVE242 LVEGDEGRMC252 VNTEWGAFGD262 SGELDEFLLE 272 YDRLVDESSA282 NPGQQLYEKL292 IGGKYMGELV302 RLVLLRLVDE312 NLLFHGEASE 322 QLRTRGAFET332 RFVSQVESDT342 GDRKQIYNIL352 STLGLRPSTT362 DCDIVRRACE 372 SVSTRAAHMC382 SAGLAGVINR392 MRESRSEDVM402 RITVGVDGSV412 YKLHPSFKER 422 FHASVRRLTP432 SCEITFIESE442 EGSGRGAALV452 SAVACK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:80 or .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3VEV Glucokinase in complex with an activator and glucose | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [3] |
| PDB Sequence |
ENLYFQGMKK
13 EKVEQILAEF23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR 63 STPEGSEVGD73 FLSLDLGGTN83 FRVMLVKVGE93 WSVKTKHQMY108 SIPEDAMTGT 118 AEMLFDYISE128 CISDFLDKHQ138 MKHKKLPLGF148 TFSFPVRHED158 IDKGILLNWT 168 KGFKASGAEG178 NNVVGLLRDA188 IKRRGDFEMD198 VVAMVNDTVA208 TMISCYYEDH 218 QCEVGMIVGT228 GCNACYMEEM238 QNVELVEGDE248 GRMCVNTEWG258 AFGDSGELDE 268 FLLEYDRLVD278 ESSANPGQQL288 YEKLIGGKYM298 GELVRLVLLR308 LVDENLLFHG 318 EASEQLRTRG328 AFETRFVSQV338 ESDTGDRKQI348 YNILSTLGLR358 PSTTDCDIVR 368 RACESVSTRA378 AHMCSAGLAG388 VINRMRESRS398 EDVMRITVGV408 DGSVYKLHPS 418 FKERFHASVR428 RLTPSCEITF438 IESEEGSGRG448 AALVSAVACK458 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:80 or .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3VF6 Glucokinase in complex with glucose and activator | ||||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [3] |
| PDB Sequence |
HHENLYFQGM
11 KKEKVEQILA21 EFQLQEEDLK31 KVMRRMQKEM41 DRGLRLETHE51 EASVKMLPTY 61 VRSTPEGSEV71 GDFLSLDLGG81 TNFRVMLVKV91 GESVKTKHQM107 YSIPEDAMTG 117 TAEMLFDYIS127 ECISDFLDKH137 QMKHKKLPLG147 FTFSFPVRHE157 DIDKGILLNW 167 TKGFKASGAE177 GNNVVGLLRD187 AIKRRGDFEM197 DVVAMVNDTV207 ATMISCYYED 217 HQCEVGMIVG227 TGCNACYMEE237 MQNVELVEGD247 EGRMCVNTEW257 GAFGDSGELD 267 EFLLEYDRLV277 DESSANPGQQ287 LYEKLIGGKY297 MGELVRLVLL307 RLVDENLLFH 317 GEASEQLRTR327 GAFETRFVSQ337 VESDTGDRKQ347 IYNILSTLGL357 RPSTTDCDIV 367 RRACESVSTR377 AAHMCSAGLA387 GVINRMRESR397 SEDVMRITVG407 VDGSVYKLHP 417 SFKERFHASV427 RRLTPSCEIT437 FIESEEGSGR447 GAALVSAVAC457 K |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3IDH Human pancreatic glucokinase in complex with glucose | ||||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [4] |
| PDB Sequence |
NLYFQGMKKE
14 KVEQILAEFQ24 LQEEDLKKVM34 RRMQKEMDRG44 LRLETHEEAS54 VKMLPTYVRS 64 TPEGSEVGDF74 LSLDLGGTNF84 RVMLVKVGEG94 EEGQWSVKTK104 HQMYSIPEDA 114 MTGTAEMLFD124 YISECISDFL134 DKHQMKHKKL144 PLGFTFSFPV154 RHEDIDKGIL 164 LNWTKGFKAS174 GAEGNNVVGL184 LRDAIKRRGD194 FEMDVVAMVN204 DTVATMISCY 214 YEDHQCEVGM224 IVGTGCNACY234 MEEMQNVELV244 EGDEGRMCVN254 TEWGAFGDSG 264 ELDEFLLEYD274 RLVDESSANP284 GQQLYEKLIG294 GKYMGELVRL304 VLLRLVDENL 314 LFHGEASEQL324 RTRGAFETRF334 VSQVESDTGD344 RKQIYNILST354 LGLRPSTTDC 364 DIVRRACESV374 STRAAHMCSA384 GLAGVINRMR394 ESRSEDVMRI404 TVGVDGSVYK 414 LHPSFKERFH424 ASVRRLTPSC434 EITFIESEEG444 SGRGAALVSA454 VAC |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:80 or .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3QIC The structure of human glucokinase E339K mutation | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [5] |
| PDB Sequence |
YFQGMKKEKV
16 EQILAEFQLQ26 EEDLKKVMRR36 MQKEMDRGLR46 LETHEEASVK56 MLPTYVRSTP 66 EGSEVGDFLS76 LDLGGTNFRV86 MLVKVGEGEE96 GQWSVKTKHQ106 MYSIPEDAMT 116 GTAEMLFDYI126 SECISDFLDK136 HQMKHKKLPL146 GFTFSFPVRH156 EDIDKGILLN 166 WTKGFKASGA176 EGNNVVGLLR186 DAIKRRGDFE196 MDVVAMVNDT206 VATMISCYYE 216 DHQCEVGMIV226 GTGCNACYME236 EMQNVELVEG246 DEGRMCVNTE256 WGAFGDSGEL 266 DEFLLEYDRL276 VDESSANPGQ286 QLYEKLIGGK296 YMGELVRLVL306 LRLVDENLLF 316 HGEASEQLRT326 RGAFETRFVS336 QVKSDTGDRK346 QIYNILSTLG356 LRPSTTDCDI 366 VRRACESVST376 RAAHMCSAGL386 AGVINRMRES396 RSEDVMRITV406 GVDGVYKLHP 417 SFKERFHASV427 RRLTPSCEIT437 FIESEEGSGR447 GAALVSAVAC457 KK |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:80 or .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3ID8 Ternary complex of human pancreatic glucokinase crystallized with activator, glucose and AMP-PNP | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [4] |
| PDB Sequence |
NLYFQGMKKE
14 KVEQILAEFQ24 LQEEDLKKVM34 RRMQKEMDRG44 LRLETHEEAS54 VKMLPTYVRS 64 TPEGSEVGDF74 LSLDLGGTNF84 RVMLVKVGEG94 QWSVKTKHQM107 YSIPEDAMTG 117 TAEMLFDYIS127 ECISDFLDKH137 QMKHKKLPLG147 FTFSFPVRHE157 DIDKGILLNW 167 TKGFKASGAE177 GNNVVGLLRD187 AIKRRGDFEM197 DVVAMVNDTV207 ATMISCYYED 217 HQCEVGMIVG227 TGCNACYMEE237 MQNVELVEGD247 EGRMCVNTEW257 GAFGDSGELD 267 EFLLEYDRLV277 DESSANPGQQ287 LYEKLIGGKY297 MGELVRLVLL307 RLVDENLLFH 317 GEASEQLRTR327 GAFETRFVSQ337 VESDTGDRKQ347 IYNILSTLGL357 RPSTTDCDIV 367 RRACESVSTR377 AAHMCSAGLA387 GVINRMRESR397 SEDVMRITVG407 VDGSVYKLHP 417 SFKERFHASV427 RRLTPSCEIT437 FIESEEGSGR447 GAALVSAVAC457 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:287 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4ISE Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3(4H)-yl)-N-(1,3-thiazol-2-yl)propanamide | ||||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [6] |
| PDB Sequence |
KPMPLTLVEQ
18 ILAEFQLQEE28 DLKKVMRRMQ38 KEMDRGLRLE48 THEEASVKML58 PTYVRSTPEG 68 SEVGDFLSLD78 LGGTNFRVML88 VKVGEGQWSV101 KTKHQMYSIP111 EDAMTGTAEM 121 LFDYISECIS131 DFLDKHQMKH141 KKLPLGFTFS151 FPNNVVGLLR186 DAIKRRGDFE 196 MDVVAMVNDT206 VATMISCYYE216 DHQCEVGMIV226 GTGCNACYME236 EMQNVELVEG 246 DEGRMCVNTE256 WGAFGDSGEL266 DEFLLEYDRL276 VDESSANPGQ286 QLYEKLIGGK 296 YMGELVRLVL306 LRLVDENLLF316 HGEASEQLRT326 RGAFETRFVS336 QVESDTGDRK 346 QIYNILSTLG356 LRPSTTDCDI366 VRRACESVST376 RAAHMCSAGL386 AGVINRMRES 396 RSVMRITVGV408 DGSVYKLHPS418 FKERFHASVR428 RLTPSCEITF438 IESEEGSGRG 448 AALVSAVACK458 KACMLGQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6E0I Crystal structure of Glucokinase in complex with compound 72 | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [7] |
| PDB Sequence |
MLDDRARMEA
10 AKKEKVEQIL20 AEFQLQEEDL30 KKVMRRMQKE40 MDRGLRLETH50 EEASVKMLPT 60 YVRSTPSEVG72 DFLSLDLGGT82 NFRVMLVKVG92 VKTKHQMYSI110 PEDAMTGTAE 120 MLFDYISECI130 SDFLDKHQMK140 HKKLPLGFTF150 SFPVRHEDID160 KGILLNWTKG 170 FKASGAEGNN180 VVGLLRDAIK190 RRGDFEMDVV200 AMVNDTVATM210 ISCYYEDHQC 220 EVGMIVGTGC230 NACYMEEMQN240 VELVEGDEGR250 MCVNTEWGAF260 GDSGELDEFL 270 LEYDRLVDES280 SANPGQQLYE290 KLIGGKYMGE300 LVRLVLLRLV310 DENLLFHGEA 320 SEQLRTRGAF330 ETRFVSQVES340 DTGDRKQIYN350 ILSTLGLRPS360 TTDCDIVRRA 370 CESVSTRAAH380 MCSAGLAGVI390 NRMRESRSED400 VMRITVGVDG410 SVYKLHPSFK 420 ERFHASVRRL430 TPSCEITFIE440 SEEGSGRGAA450 LVSAVACK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:80 or .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 5V4X Human glucokinase in complex with novel pyrazole activator. | ||||||
| Method | X-ray diffraction | Resolution | 2.08 Å | Mutation | No | [8] |
| PDB Sequence |
KPMPLTLVEQ
18 ILAEFQLQEE28 DLKKVMRRMQ38 KEMDRGLRLE48 THEEASVKML58 PTYVRSTPEG 68 SEVGDFLSLD78 LGGTNFRVML88 VKVGEWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFNNV181 VGLLRDAIKR191 RGDFEMDVVA 201 MVNDTVATMI211 SCYYEDHQCE221 VGMIVGTGCN231 ACYMEEMQNV241 ELVEGDEGRM 251 CVNTEWGAFG261 DSGELDEFLL271 EYDRLVDESS281 ANPGQQLYEK291 LIGGKYMGEL 301 VRLVLLRLVD311 ENLLFHGEAS321 EQLRTRGAFE331 TRFVSQVESD341 TGDRKQIYNI 351 LSTLGLRPST361 TDCDIVRRAC371 ESVSTRAAHM381 CSAGLAGVIN391 RMRESRVMRI 404 TVGVDGSVYK414 LHPSFKERFH424 ASVRRLTPSC434 EITFIESEEG444 SGRGAALVSA 454 VACKKACMLG464
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 4ISF Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-(6-fluoro-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-N-(1,3-thiazol-2-yl)propanamide | ||||||
| Method | X-ray diffraction | Resolution | 2.09 Å | Mutation | No | [6] |
| PDB Sequence |
KPMPLTLVEQ
18 ILAEFQLQEE28 DLKKVMRRMQ38 KEMDRGLRLE48 THEEASVKML58 PTYVRSTPSE 70 VGDFLSLDLG80 GTNFRVMLVK90 VGEQWSVKTK104 HQMYSIPEDA114 MTGTAEMLFD 124 YISECISDFL134 DKHQMKHKKL144 PLGFTFSFPV154 RHNVVGLLRD187 AIKRRGDFEM 197 DVVAMVNDTV207 ATMISCYYED217 HQCEVGMIVG227 TGCNACYMEE237 MQNVELVEGD 247 EGRMCVNTEW257 GAFGDSGELD267 EFLLEYDRLV277 DESSANPGQQ287 LYEKLIGGKY 297 MGELVRLVLL307 RLVDENLLFH317 GEASEQLRTR327 GAFETRFVSQ337 VESDTGDRKQ 347 IYNILSTLGL357 RPSTTDCDIV367 RRACESVSTR377 AAHMCSAGLA387 GVINRMRESR 397 SEDVMRITVG407 VDGSVYKLHP417 SFKERFHASV427 RRLTPSCEIT437 FIESEEGSGR 447 GAALVSAVAC457 KKACMLGQ
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:287 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 5V4W Human glucokinase in complex with novel indazole activator. | ||||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | No | [8] |
| PDB Sequence |
LPQPNSQVEQ
18 ILAEFQLQEE28 DLKKVMRRMQ38 KEMDRGLRLE48 THEEASVKML58 PTYVRSTPEG 68 SEVGDFLSLD78 LGGTNFRVML88 VKVGEWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFNVV182 GLLRDAIKRR192 GDFEMDVVAM 202 VNDTVATMIS212 CYYEDHQCEV222 GMIVGTGCNA232 CYMEEMQNVE242 LVEGDEGRMC 252 VNTEWGAFGD262 SGELDEFLLE272 YDRLVDESSA282 NPGQQLYEKL292 IGGKYMGELV 302 RLVLLRLVDE312 NLLFHGEASE322 QLRTRGAFET332 RFVSQVESDT342 GDRKQIYNIL 352 STLGLRPSTT362 DCDIVRRACE372 SVSTRAAHMC382 SAGLAGVINR392 MRESRVMRIT 405 VGVDGSVYKL415 HPSFKERFHA425 SVRRLTPSCE435 ITFIESEEGS445 GRGAALVSAV 455 ACKKACMLG
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:256 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 4ISG Human glucokinase in complex with novel activator (2S)-3-cyclohexyl-2-[4-(methylsulfonyl)-2-oxopiperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide | ||||||
| Method | X-ray diffraction | Resolution | 2.65 Å | Mutation | No | [6] |
| PDB Sequence |
KPMPLTLVEQ
18 ILAEFQLQEE28 DLKKVMRRMQ38 KEMDRGLRLE48 THEEASVKML58 PTYVRSTPEG 68 SEVGDFLSLD78 LGGTNFRVML88 VKVGEQWSVK102 TKHQMYSIPE112 DAMTGTAEML 122 FDYISECISD132 FLDKHQMKHK142 KLPLGFTFNV181 VGLLRDAIKR191 RGDFEMDVVA 201 MVNDTVATMI211 SCYYEDHQCE221 VGMIVGTGCN231 ACYMEEMQNV241 ELVEGDEGRM 251 CVNTEWGAFG261 DSGELDEFLL271 EYDRLVDESS281 ANPGQQLYEK291 LIGGKYMGEL 301 VRLVLLRLVD311 ENLLFHGEAS321 EQLRTRGAFE331 TRFVSQVESD341 TGDRKQIYNI 351 LSTLGLRPST361 TDCDIVRRAC371 ESVSTRAAHM381 CSAGLAGVIN391 RMRESRMRIT 405 VGVDGSVYKL415 HPSFKERFHA425 SVRRLTPSCE435 ITFIESESGR447 GAALVSAVAC 457 KKACMLGQ
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4DCH Insights into Glucokinase Activation Mechanism: Observation of Multiple Distinct Protein Conformations | ||||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [3] |
| PDB Sequence |
EAAKKEKVEQ
18 ILAEFQLQEE28 DLKKVMRRMQ38 KEMDRGLRLE48 THEEASVKML58 PTYVRSTPEG 68 SEVGDFLSLD78 LGGTNFRVML88 VKVGEGGQWS100 VKTKHQMYSI110 PEDAMTGTAE 120 MLFDYISECI130 SDFLDKHQMK140 HKKLPLGFTF150 SFPNNVVGLL185 RDAIKRRGDF 195 EMDVVAMVND205 TVATMISCYY215 EDHQCEVGMI225 VGTGCNACYM235 EEMQNVELVE 245 GDEGRMCVNT255 EWGAFGDSGE265 LDEFLLEYDR275 LVDESSANPG285 QQLYEKLIGG 295 KYMGELVRLV305 LLRLVDENLL315 FHGEASEQLR325 TRGAFETRFV335 SQVESDTGDR 345 KQIYNILSTL355 GLRPSTTDCD365 IVRRACESVS375 TRAAHMCSAG385 LAGVINRMRE 395 SRSEDVMRIT405 VGVDGSVYKL415 HPSFKERFHA425 SVRRLTPSCE435 ITFIESEEGS 445 GRGAALVSAV455 ACKKACMLGQ465 LEHH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4L3Q Crystal structure of glucokinase-activator complex | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [9] |
| PDB Sequence |
TLVEQILAEF
23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR63 STPEGSEVGD 73 FLSLDLGGTN83 FRVMLVKVGE93 GEEGQWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFSFP153 VRHEDIDKGI163 LLNWTKGFKA 173 SGAEGNNVVG183 LLRDAIKRRG193 DFEMDVVAMV203 NDTVATMISC213 YYEDHQCEVG 223 MIVGTGCNAC233 YMEEMQNVEL243 VEGDEGRMCV253 NTEWGAFGDS263 GELDEFLLEY 273 DRLVDESSAN283 PGQQLYEKLI293 GGKYMGELVR303 LVLLRLVDEN313 LLFHGEASEQ 323 LRTRGAFETR333 FVSQVESDTG343 DRKQIYNILS353 TLGLRPSTTD363 CDIVRRACES 373 VSTRAAHMCS383 AGLAGVINRM393 RESRSEDVMR403 ITVGVDGSVY413 KLHPSFKERF 423 HASVRRLTPS433 CEITFIESEE443 GSGRGAALVS453 AVACKKA
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:287 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 4IXC Crystal structure of Human Glucokinase in complex with a small molecule activator. | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [10] |
| PDB Sequence |
NSQVEQILAE
22 FQLQAADLKK32 VMRRMQKEMD42 RGLRLETHAA52 ASVKMLPTYV62 RSTPEGSEVG 72 DFLSLDLGGT82 NFRVMLVKVG92 EGQWSVKTKH105 QMYSIPEDAM115 TGTAEMLFDY 125 ISECISDFLD135 KHQMKHKKLP145 LGFTFSFPVR155 HEDIDKGILL165 NWTKGFKASG 175 AEGNNVVGLL185 RDAIKRRGDF195 EMDVVAMVND205 TVATMISCYY215 EDHQCEVGMI 225 VGTGCNACYM235 EEMQNVELVE245 GDEGRMCVNT255 EWGAFGDSGE265 LDEFLLEYDR 275 LVDESSANPG285 QQLYEKLIGG295 KYMGELVRLV305 LLRLVDENLL315 FHGEASEQLR 325 TRGAFETRFV335 SQVESDGDRK346 QIYNILSTLG356 LRPSTTDCDI366 VRRACESVST 376 RAAHMCSAGL386 AGVINRMRES396 RSEDVMRITV406 GVDGSVYKLH416 PSFKERFHAS 426 VRRLTPSCEI436 TFIESEEGSG446 RGAALVSAVA456 CKK
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:80 or .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4IWV Crystals structure of Human Glucokinase in complex with small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [11] |
| PDB Sequence |
SSNSQVEQIL
20 AEFQLQAADL30 KKVMRRMQKE40 MDRGLRLETH50 AAASVKMLPT60 YVRSTPEGSE 70 VGDFLSLDLG80 GTNFRVMLVK90 VGEQWSVKTK104 HQMYSIPEDA114 MTGTAEMLFD 124 YISECISDFL134 DKHQMKHKKL144 PLGFTFSFPV154 RHEDIDKGIL164 LNWTKGFKAS 174 GAEGNNVVGL184 LRDAIKRRGD194 FEMDVVAMVN204 DTVATMISCY214 YEDHQCEVGM 224 IVGTGCNACY234 MEEMQNVELV244 EGDEGRMCVN254 TEWGAFGDSG264 ELDEFLLEYD 274 RLVDESSANP284 GQQLYEKLIG294 GKYMGELVRL304 VLLRLVDENL314 LFHGEASEQL 324 RTRGAFETRF334 VSQVESGDRK346 QIYNILSTLG356 LRPSTTDCDI366 VRRACESVST 376 RAAHMCSAGL386 AGVINRMRES396 RSEDVMRITV406 GVDGSVYKLH416 PSFKERFHAS 426 VRRLTPSCEI436 TFIESEEGSG446 RGAALVSAVA456 CKK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:80 or .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4RCH Discovery of 2-Pyridyl Ureas as Glucokinase Activators | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [12] |
| PDB Sequence |
TLVEQILAEF
23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR63 STPEGSEVGD 73 FLSLDLGGTN83 FRVMLVKVGE93 GEEGQWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFSFP153 VRHEDIDKGI163 LLNWTKGFKA 173 SGAEGNNVVG183 LLRDAIKRRG193 DFEMDVVAMV203 NDTVATMISC213 YYEDHQCEVG 223 MIVGTGCNAC233 YMEEMQNVEL243 VEGDEGRMCV253 NTEWGAFGDS263 GELDEFLLEY 273 DRLVDESSAN283 PGQQLYEKLI293 GGKYMGELVR303 LVLLRLVDEN313 LLFHGEASEQ 323 LRTRGAFETR333 FVSQVESDTG343 DRKQIYNILS353 TLGLRPSTTD363 CDIVRRACES 373 VSTRAAHMCS383 AGLAGVINRM393 RESRSEDVMR403 ITVGVDGSVY413 KLHPSFKERF 423 HASVRRLTPS433 CEITFIESEE443 GSGRGAALVS453 AVACKKAC
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3IMX Crystal Structure of human glucokinase in complex with a synthetic activator | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [13] |
| PDB Sequence |
GPGSMVEQIL
20 AEFQLQEEDL30 KKVMRRMQKE40 MDRGLRLETH50 EEASVKMLPT60 YVRSTPEGSE 70 VGDFLSLDLG80 GTNFRVMLVK90 VGEQWSVKTK104 HQMYSIPEDA114 MTGTAEMLFD 124 YISECISDFL134 DKHQMKHKKL144 PLGFTFSFPV154 RHEDIDKGIL164 LNWTKGFKAS 174 GAEGNNVVGL184 LRDAIKRRGD194 FEMDVVAMVN204 DTVATMISCY214 YEDHQCEVGM 224 IVGTGCNACY234 MEEMQNVELV244 EGDEGRMCVN254 TEWGAFGDSG264 ELDEFLLEYD 274 RLVDESSANP284 GQQLYEKLIG294 GKYMGELVRL304 VLLRLVDENL314 LFHGEASEQL 324 RTRGAFETRF334 VSQVESDTGD344 RKQIYNILST354 LGLRPSTTDC364 DIVRRACESV 374 STRAAHMCSA384 GLAGVINRMR394 ESRSEDVMRI404 TVGVDGSVYK414 LHPSFKERFH 424 ASVRRLTPSC434 EITFIESEEG444 SGRGAALVSA454 VACKKAC
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3A0I Human glucokinase in complex with a synthetic activator | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [14] |
| PDB Sequence |
TLVEQILAEF
23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR63 STPEGSEVGD 73 FLSLDLGGTN83 FRVMLVKVGE93 GEEGQWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFSFP153 VRHEDIDKGI163 LLNWTKGFKA 173 SGAEGNNVVG183 LLRDAIKRRG193 DFEMDVVAMV203 NDTVATMISC213 YYEDHQCEVG 223 MIVGTGCNAC233 YMEEMQNVEL243 VEGDEGRMCV253 NTEWGAFGDS263 GELDEFLLEY 273 DRLVDESSAN283 PGQQLYEKLI293 GGKYMGELVR303 LVLLRLVDEN313 LLFHGEASEQ 323 LRTRGAFETR333 FVSQVESDTG343 DRKQIYNILS353 TLGLRPSTTD363 CDIVRRACES 373 VSTRAAHMCS383 AGLAGVINRM393 RESRSEDVMR403 ITVGVDGSVY413 KLHPSFKERF 423 HASVRRLTPS433 CEITFIESEE443 GSGRGAALVS453 AVACKKAC
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .X:151 or .X:152 or .X:153 or .X:168 or .X:169 or .X:204 or .X:205 or .X:206 or .X:225 or .X:229 or .X:230 or .X:231 or .X:254 or .X:256 or .X:287 or .X:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3VEY glucokinase in complex with glucose and ATPgS | ||||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [3] |
| PDB Sequence |
TLVEQILAEF
23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR63 STPEGSEVGD 73 FLSLDLGGTN83 FRVMLVKVGE93 GEEGQWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFSFP153 VRHEDIDKGI163 LLNWTKGFKA 173 SGAEGNNVVG183 LLRDAIKRRG193 DFEMDVVAMV203 NDTVATMISC213 YYEDHQCEVG 223 MIVGTGCNAC233 YMEEMQNVEL243 VEGDEGRMCV253 NTEWGAFGDS263 GELDEFLLEY 273 DRLVDESSAN283 PGQQLYEKLI293 GGKYMGELVR303 LVLLRLVDEN313 LLFHGEASEQ 323 LRTRGAFETR333 FVSQVESDTG343 DRKQIYNILS353 TLGLRPSTTD363 CDIVRRACES 373 VSTRAAHMCS383 AGLAGVINRM393 RESRSEDVMR403 ITVGVDGSVY413 KLHPSFKERF 423 HASVRRLTPS433 CEITFIESEE443 GSGRGAALVS453 AVACKKAC
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1V4S Crystal structure of human glucokinase | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [15] |
| PDB Sequence |
TLVEQILAEF
23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR63 STPEGSEVGD 73 FLSLDLGGTN83 FRVMLVKVGE93 GEEGQWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFSFP153 VRHEDIDKGI163 LLNWTKGFKA 173 SGAEGNNVVG183 LLRDAIKRRG193 DFEMDVVAMV203 NDTVATMISC213 YYEDHQCEVG 223 MIVGTGCNAC233 YMEEMQNVEL243 VEGDEGRMCV253 NTEWGAFGDS263 GELDEFLLEY 273 DRLVDESSAN283 PGQQLYEKLI293 GGKYMGELVR303 LVLLRLVDEN313 LLFHGEASEQ 323 LRTRGAFETR333 FVSQVESDTG343 DRKQIYNILS353 TLGLRPSTTD363 CDIVRRACES 373 VSTRAAHMCS383 AGLAGVINRM393 RESRSEDVMR403 ITVGVDGSVY413 KLHPSFKERF 423 HASVRRLTPS433 CEITFIESEE443 GSGRGAALVS453 AVACKKAC
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3GOI Human glucokinase in complex with a synthetic activator | ||||||
| Method | X-ray diffraction | Resolution | 2.52 Å | Mutation | No | [14] |
| PDB Sequence |
TLVEQILAEF
23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR63 STPEGSEVGD 73 FLSLDLGGTN83 FRVMLVKVGE93 GEEGQWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFSFP153 VRHEDIDKGI163 LLNWTKGFKA 173 SGAEGNNVVG183 LLRDAIKRRG193 DFEMDVVAMV203 NDTVATMISC213 YYEDHQCEVG 223 MIVGTGCNAC233 YMEEMQNVEL243 VEGDEGRMCV253 NTEWGAFGDS263 GELDEFLLEY 273 DRLVDESSAN283 PGQQLYEKLI293 GGKYMGELVR303 LVLLRLVDEN313 LLFHGEASEQ 323 LRTRGAFETR333 FVSQVESDTG343 DRKQIYNILS353 TLGLRPSTTD363 CDIVRRACES 373 VSTRAAHMCS383 AGLAGVINRM393 RESRSEDVMR403 ITVGVDGSVY413 KLHPSFKERF 423 HASVRRLTPS433 CEITFIESEE443 GSGRGAALVS453 AVACKKAC
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4MLE Human Glucokinase in Complex with Novel Amino Thiazole Activator | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [16] |
| PDB Sequence |
TLVEQILAEF
23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR63 STPEGSEVGD 73 FLSLDLGGTN83 FRVMLVKVGE93 GEEGQWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFSFP153 VRHEDIDKGI163 LLNWTKGFKA 173 SGAEGNNVVG183 LLRDAIKRRG193 DFEMDVVAMV203 NDTVATMISC213 YYEDHQCEVG 223 MIVGTGCNAC233 YMEEMQNVEL243 VEGDEGRMCV253 NTEWGAFGDS263 GELDEFLLEY 273 DRLVDESSAN283 PGQQLYEKLI293 GGKYMGELVR303 LVLLRLVDEN313 LLFHGEASEQ 323 LRTRGAFETR333 FVSQVESDTG343 DRKQIYNILS353 TLGLRPSTTD363 CDIVRRACES 373 VSTRAAHMCS383 AGLAGVINRM393 RESRSEDVMR403 ITVGVDGSVY413 KLHPSFKERF 423 HASVRRLTPS433 CEITFIESEE443 GSGRGAALVS453 AVACKKAC
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3FR0 Human glucokinase in complex with 2-amino benzamide activator | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [17] |
| PDB Sequence |
TLVEQILAEF
23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR63 STPEGSEVGD 73 FLSLDLGGTN83 FRVMLVKVGE93 GEEGQWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFSFP153 VRHEDIDKGI163 LLNWTKGFKA 173 SGAEGNNVVG183 LLRDAIKRRG193 DFEMDVVAMV203 NDTVATMISC213 YYEDHQCEVG 223 MIVGTGCNAC233 YMEEMQNVEL243 VEGDEGRMCV253 NTEWGAFGDS263 GELDEFLLEY 273 DRLVDESSAN283 PGQQLYEKLI293 GGKYMGELVR303 LVLLRLVDEN313 LLFHGEASEQ 323 LRTRGAFETR333 FVSQVESDTG343 DRKQIYNILS353 TLGLRPSTTD363 CDIVRRACES 373 VSTRAAHMCS383 AGLAGVINRM393 RESRSEDVMR403 ITVGVDGSVY413 KLHPSFKERF 423 HASVRRLTPS433 CEITFIESEE443 GSGRGAALVS453 AVACKKAC
|
|||||
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Click to Show 3D Structure of This Binding Site
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| PDB ID: 4MLH Human Glucokinase in Complex with a Novel Amino Thiazole Allosteric Activator | ||||||
| Method | X-ray diffraction | Resolution | 2.90 Å | Mutation | No | [16] |
| PDB Sequence |
TLVEQILAEF
23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR63 STPEGSEVGD 73 FLSLDLGGTN83 FRVMLVKVGE93 GEEGQWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFSFP153 VRHEDIDKGI163 LLNWTKGFKA 173 SGAEGNNVVG183 LLRDAIKRRG193 DFEMDVVAMV203 NDTVATMISC213 YYEDHQCEVG 223 MIVGTGCNAC233 YMEEMQNVEL243 VEGDEGRMCV253 NTEWGAFGDS263 GELDEFLLEY 273 DRLVDESSAN283 PGQQLYEKLI293 GGKYMGELVR303 LVLLRLVDEN313 LLFHGEASEQ 323 LRTRGAFETR333 FVSQVESDTG343 DRKQIYNILS353 TLGLRPSTTD363 CDIVRRACES 373 VSTRAAHMCS383 AGLAGVINRM393 RESRSEDVMR403 ITVGVDGSVY413 KLHPSFKERF 423 HASVRRLTPS433 CEITFIESEE443 GSGRGAALVS453 AVACKKAC
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 3H1V Human glucokinase in complex with a synthetic activator | ||||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [18] |
| PDB Sequence |
MVEQILAEFQ
24 LQEEDLKKVM34 RRMQKEMDRG44 LRLETHEEAS54 VKMLPTYVRS64 TPEGSEVGDF 74 LSLDLGGTNF84 RVMLVKVGEG94 EEGQWSVKTK104 HQMYSIPEDA114 MTGTAEMLFD 124 YISECISDFL134 DKHQMKHKKL144 PLGFTFSFPV154 RHEDIDKGIL164 LNWTKGFKAS 174 GAEGNNVVGL184 LRDAIKRRGD194 FEMDVVAMVN204 DTVATMISCY214 YEDHQCEVGM 224 IVGTGCNACY234 MEEMQNVELV244 EGDEGRMCVN254 TEWGAFGDSG264 ELDEFLLEYD 274 RLVDESSANP284 GQQLYEKLIG294 GKYMGELVRL304 VLLRLVDENL314 LFHGEASEQL 324 RTRGAFETRF334 VSQVESDTGD344 RKQIYNILST354 LGLRPSTTDC364 DIVRRACESV 374 STRAAHMCSA384 GLAGVINRMR394 ESRSEDVMRI404 TVGVDGSVYK414 LHPSFKERFH 424 ASVRRLTPSC434 EITFIESEEG444 SGRGAALVSA454 VACKKA
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .X:151 or .X:152 or .X:153 or .X:168 or .X:169 or .X:204 or .X:205 or .X:206 or .X:225 or .X:229 or .X:230 or .X:231 or .X:254 or .X:256 or .X:258 or .X:287 or .X:290; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6E0E Crystal structure of Glucokinase in complex with compound 6 | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [7] |
| PDB Sequence |
TLVEQILAEF
23 QLQEEDLKKV33 MRRMQKEMDR43 GLRLETHEEA53 SVKMLPTYVR63 STPEGSEVGD 73 FLSLDLGGTN83 FRVMLVKVGE93 GEEGQWSVKT103 KHQMYSIPED113 AMTGTAEMLF 123 DYISECISDF133 LDKHQMKHKK143 LPLGFTFSFP153 VRHEDIDKGI163 LLNWTKGFKA 173 SGAEGNNVVG183 LLRDAIKRRG193 DFEMDVVAMV203 NDTVATMISC213 YYEDHQCEVG 223 MIVGTGCNAC233 YMEEMQNVEL243 VEGDEGRMCV253 NTEWGAFGDS263 GELDEFLLEY 273 DRLVDESSAN283 PGQQLYEKLI293 GGKYMGELVR303 LVLLRLVDEN313 LLFHGEASEQ 323 LRTRGAFETR333 FVSQVESDTG343 DRKQIYNILS353 TLGLRPSTTD363 CDIVRRACES 373 VSTRAAHMCS383 AGLAGVINRM393 RESRSEDVMR403 ITVGVDGSVY413 KLHPSFKERF 423 HASVRRLTPS433 CEITFIESEE443 GSGRGAALVS453 AVACKKAC
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set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GLC or .GLC2 or .GLC3 or :3GLC;style chemicals stick;color identity;select .A:151 or .A:152 or .A:153 or .A:168 or .A:169 or .A:204 or .A:205 or .A:206 or .A:225 or .A:229 or .A:230 or .A:231 or .A:254 or .A:256 or .A:258 or .A:287 or .A:290; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of a Partial Glucokinase Activator Clinical Candidate: Diethyl ((3-(3-((5-(Azetidine-1-carbonyl)pyrazin-2-yl)oxy)-5-isopropoxybenzamido)-1H-pyrazol-1-yl)methyl)phosphonate (BMS-820132). J Med Chem. 2022 Mar 10;65(5):4291-4317. | ||||
| REF 2 | Designing glucokinase activators with reduced hypoglycemia risk: discovery of N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)-carbamoyl)benzofuran-4-yloxy)pyrimidine-2-carboxamide as a clinical candidate for the treatment of type 2 diabetes mellitus. doi:10.1039/C1MD00116G. | ||||
| REF 3 | Insights into mechanism of glucokinase activation: observation of multiple distinct protein conformations. J Biol Chem. 2012 Apr 20;287(17):13598-610. | ||||
| REF 4 | The active conformation of human glucokinase is not altered by allosteric activators. Acta Crystallogr D Biol Crystallogr. 2011 Nov;67(Pt 11):929-35. | ||||
| REF 5 | Crystal structure of E339K mutated human glucokinase reveals changes in the ATP binding site. FEBS Lett. 2011 Apr 20;585(8):1175-9. | ||||
| REF 6 | Design, synthesis and SAR of novel glucokinase activators. Bioorg Med Chem Lett. 2013 Apr 1;23(7):2166-71. | ||||
| REF 7 | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator. Bioorg Med Chem. 2020 Jan 1;28(1):115232. | ||||
| REF 8 | Discovery of potent and orally active 1,4-disubstituted indazoles as novel allosteric glucokinase activators. Bioorg Med Chem Lett. 2017 Jun 15;27(12):2678-2682. | ||||
| REF 9 | Pyrimidone-based series of glucokinase activators with alternative donor-acceptor motif. Bioorg Med Chem Lett. 2013 Aug 15;23(16):4571-8. | ||||
| REF 10 | Matched triplicate design sets in the optimisation of glucokinase activators maximising medicinal chemistry information content | ||||
| REF 11 | Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485 | ||||
| REF 12 | Discovery of 2-pyridylureas as glucokinase activators. J Med Chem. 2014 Oct 9;57(19):8180-6. | ||||
| REF 13 | Investigation of functionally liver selective glucokinase activators for the treatment of type 2 diabetes. J Med Chem. 2009 Oct 8;52(19):6142-52. | ||||
| REF 14 | Discovery of novel 3,6-disubstituted 2-pyridinecarboxamide derivatives as GK activators. Bioorg Med Chem Lett. 2009 May 15;19(10):2718-21. | ||||
| REF 15 | Structural basis for allosteric regulation of the monomeric allosteric enzyme human glucokinase. Structure. 2004 Mar;12(3):429-38. | ||||
| REF 16 | Identification of a new class of glucokinase activators through structure-based design. J Med Chem. 2013 Oct 10;56(19):7669-78. | ||||
| REF 17 | Identification of novel and potent 2-amino benzamide derivatives as allosteric glucokinase activators. Bioorg Med Chem Lett. 2009 Mar 1;19(5):1357-60. | ||||
| REF 18 | The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators. Bioorg Med Chem. 2009 Oct 1;17(19):7042-51. | ||||
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