Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T67754 | Target Info | |||
| Target Name | Transketolase (TK) | ||||
| Synonyms | TKT1; SDDHD; HEL107; HEL-S-48 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | TKT | ||||
| Biochemical Class | Transketolase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Thiamin diphosphate | Ligand Info | |||||
| Structure Description | Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 1 | PDB:4KXV | ||||
| Method | X-ray diffraction | Resolution | 0.97 Å | Mutation | No | [1] |
| PDB Sequence |
ESYHKPDQQK
11 LQALKDTANR21 LRISSIQATT31 AAGSGHPTSC41 CSAAEIMAVL51 FFHTMRYKSQ 61 DPRNPHNDRF71 VLSKGHAAPI81 LYAVWAEAGF91 LAEAELLNLR101 KISSDLDGHP 111 VPKQAFTDVA121 TGSLGQGLGA131 ACGMAYTGKY141 FDKASYRVYC151 LLGDGELSEG 161 SVWEAMAFAS171 IYKLDNLVAI181 LDINRLGQSD191 PAPLQHQMDI201 YQKRCEAFGW 211 HAIIVDGHSV221 EELCKAFGQA231 KHQPTAIIAK241 TFKGRGITGV251 EDKESWHGKP 261 LPKNMAEQII271 QEIYSQIQSK281 KKILATPPQE291 DAPSVDIANI301 RMPSLPSYKV 311 GDKIATRKAY321 GQALAKLGHA331 SDRIIALDGD341 TKNSTFSEIF351 KKEHPDRFIE 361 CYIAEQNMVS371 IAVGCATRNR381 TVPFCSTFAA391 FFTRAFDQIR401 MAAISESNIN 411 LCGSHCGVSI421 GEDGPSQMAL431 EDLAMFRSVP441 TSTVFYPSDG451 VATEKAVELA 461 ANTKGICFIR471 TSRPENAIIY481 NNNEDFQVGQ491 AKVVLKSKDD501 QVTVIGAGVT 511 LHEALAAAEL521 LKKEKINIRV531 LDPFTIKPLD541 RKLILDSARA551 TKGRILTVED 561 HYYEGGIGEA571 VSSAVVGEPG581 ITVTHLAVNR591 VPRSGKPAEL601 LKMFGIDRDA 611 IAQAVRGLIT621
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Xylitol 5-phosphate | Ligand Info | |||||
| Structure Description | Human transketolase in covalent complex with donor ketose D-xylulose-5-phosphate, crystal 1 | PDB:4KXV | ||||
| Method | X-ray diffraction | Resolution | 0.97 Å | Mutation | No | [1] |
| PDB Sequence |
ESYHKPDQQK
11 LQALKDTANR21 LRISSIQATT31 AAGSGHPTSC41 CSAAEIMAVL51 FFHTMRYKSQ 61 DPRNPHNDRF71 VLSKGHAAPI81 LYAVWAEAGF91 LAEAELLNLR101 KISSDLDGHP 111 VPKQAFTDVA121 TGSLGQGLGA131 ACGMAYTGKY141 FDKASYRVYC151 LLGDGELSEG 161 SVWEAMAFAS171 IYKLDNLVAI181 LDINRLGQSD191 PAPLQHQMDI201 YQKRCEAFGW 211 HAIIVDGHSV221 EELCKAFGQA231 KHQPTAIIAK241 TFKGRGITGV251 EDKESWHGKP 261 LPKNMAEQII271 QEIYSQIQSK281 KKILATPPQE291 DAPSVDIANI301 RMPSLPSYKV 311 GDKIATRKAY321 GQALAKLGHA331 SDRIIALDGD341 TKNSTFSEIF351 KKEHPDRFIE 361 CYIAEQNMVS371 IAVGCATRNR381 TVPFCSTFAA391 FFTRAFDQIR401 MAAISESNIN 411 LCGSHCGVSI421 GEDGPSQMAL431 EDLAMFRSVP441 TSTVFYPSDG451 VATEKAVELA 461 ANTKGICFIR471 TSRPENAIIY481 NNNEDFQVGQ491 AKVVLKSKDD501 QVTVIGAGVT 511 LHEALAAAEL521 LKKEKINIRV531 LDPFTIKPLD541 RKLILDSARA551 TKGRILTVED 561 HYYEGGIGEA571 VSSAVVGEPG581 ITVTHLAVNR591 VPRSGKPAEL601 LKMFGIDRDA 611 IAQAVRGLIT621
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Sorbitol-6-phosphate | Ligand Info | |||||
| Structure Description | Human transketolase in covalent complex with donor ketose D-fructose-6-phosphate | PDB:4KXU | ||||
| Method | X-ray diffraction | Resolution | 0.98 Å | Mutation | No | [1] |
| PDB Sequence |
ESYHKPDQQK
11 LQALKDTANR21 LRISSIQATT31 AAGSGHPTSC41 CSAAEIMAVL51 FFHTMRYKSQ 61 DPRNPHNDRF71 VLSKGHAAPI81 LYAVWAEAGF91 LAEAELLNLR101 KISSDLDGHP 111 VPKQAFTDVA121 TGSLGQGLGA131 ACGMAYTGKY141 FDKASYRVYC151 LLGDGELSEG 161 SVWEAMAFAS171 IYKLDNLVAI181 LDINRLGQSD191 PAPLQHQMDI201 YQKRCEAFGW 211 HAIIVDGHSV221 EELCKAFGQA231 KHQPTAIIAK241 TFKGRGITGV251 EDKESWHGKP 261 LPKNMAEQII271 QEIYSQIQSK281 KKILATPPQE291 DAPSVDIANI301 RMPSLPSYKV 311 GDKIATRKAY321 GQALAKLGHA331 SDRIIALDGD341 TKNSTFSEIF351 KKEHPDRFIE 361 CYIAEQNMVS371 IAVGCATRNR381 TVPFCSTFAA391 FFTRAFDQIR401 MAAISESNIN 411 LCGSHCGVSI421 GEDGPSQMAL431 EDLAMFRSVP441 TSTVFYPSDG451 VATEKAVELA 461 ANTKGICFIR471 TSRPENAIIY481 NNNEDFQVGQ491 AKVVLKSKDD501 QVTVIGAGVT 511 LHEALAAAEL521 LKKEKINIRV531 LDPFTIKPLD541 RKLILDSARA551 TKGRILTVED 561 HYYEGGIGEA571 VSSAVVGEPG581 ITVTHLAVNR591 VPRSGKPAEL601 LKMFGIDRDA 611 IAQAVRGLIT621
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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 .S6P or .S6P2 or .S6P3 or :3S6P;style chemicals stick;color identity;select .A:37 or .A:77 or .A:110 or .A:123 or .A:189 or .A:258; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2r,3r,4s,5r,6s)-2,3,4,5,6,7-Hexahydroxyheptyl Dihydrogen Phosphate | Ligand Info | |||||
| Structure Description | Human transketolase in covalent complex with donor ketose D-sedoheptulose-7-phosphate | PDB:4KXX | ||||
| Method | X-ray diffraction | Resolution | 1.03 Å | Mutation | No | [1] |
| PDB Sequence |
MESYHKPDQQ
10 KLQALKDTAN20 RLRISSIQAT30 TAAGSGHPTS40 CCSAAEIMAV50 LFFHTMRYKS 60 QDPRNPHNDR70 FVLSKGHAAP80 ILYAVWAEAG90 FLAEAELLNL100 RKISSDLDGH 110 PVPKQAFTDV120 ATGSLGQGLG130 AACGMAYTGK140 YFDKASYRVY150 CLLGDGELSE 160 GSVWEAMAFA170 SIYKLDNLVA180 ILDINRLGQS190 DPAPLQHQMD200 IYQKRCEAFG 210 WHAIIVDGHS220 VEELCKAFGQ230 AKHQPTAIIA240 KTFKGRGITG250 VEDKESWHGK 260 PLPKNMAEQI270 IQEIYSQIQS280 KKKILATPPQ290 EDAPSVDIAN300 IRMPSLPSYK 310 VGDKIATRKA320 YGQALAKLGH330 ASDRIIALDG340 DTKNSTFSEI350 FKKEHPDRFI 360 ECYIAEQNMV370 SIAVGCATRN380 RTVPFCSTFA390 AFFTRAFDQI400 RMAAISESNI 410 NLCGSHCGVS420 IGEDGPSQMA430 LEDLAMFRSV440 PTSTVFYPSD450 GVATEKAVEL 460 AANTKGICFI470 RTSRPENAII480 YNNNEDFQVG490 QAKVVLKSKD500 DQVTVIGAGV 510 TLHEALAAAE520 LLKKEKINIR530 VLDPFTIKPL540 DRKLILDSAR550 ATKGRILTVE 560 DHYYEGGIGE570 AVSSAVVGEP580 GITVTHLAVN590 RVPRSGKPAE600 LLKMFGIDRD 610 AIAQAVRGLI620 T
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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 .1Y7 or .1Y72 or .1Y73 or :31Y7;style chemicals stick;color identity;select .A:37 or .A:77 or .A:110 or .A:123 or .A:189 or .A:258 or .A:259 or .A:260; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-[(2S,3S,4R,5R)-1,2,3,4,5-pentahydroxy-6-phosphonooxyhexan-2-yl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate | Ligand Info | |||||
| Structure Description | Human transketolase variant E160Q in covalent complex with donor ketose D-fructose-6-phosphate | PDB:6HA3 | ||||
| Method | X-ray diffraction | Resolution | 1.08 Å | Mutation | Yes | [2] |
| PDB Sequence |
ESYHKPDQQK
11 LQALKDTANR21 LRISSIQATT31 AAGSGHPTSC41 CSAAEIMAVL51 FFHTMRYKSQ 61 DPRNPHNDRF71 VLSKGHAAPI81 LYAVWAEAGF91 LAEAELLNLR101 KISSDLDGHP 111 VPKQAFTDVA121 TGSLGQGLGA131 ACGMAYTGKY141 FDKASYRVYC151 LLGDGELSQG 161 SVWEAMAFAS171 IYKLDNLVAI181 LDINRLGQSD191 PAPLQHQMDI201 YQKRCEAFGW 211 HAIIVDGHSV221 EELCKAFGQA231 KHQPTAIIAK241 TFKGRGITGV251 EDKESWHGKP 261 LPKNMAEQII271 QEIYSQIQSK281 KKILATPPQE291 DAPSVDIANI301 RMPSLPSYKV 311 GDKIATRKAY321 GQALAKLGHA331 SDRIIALDGD341 TKNSTFSEIF351 KKEHPDRFIE 361 CYIAEQNMVS371 IAVGCATRNR381 TVPFCSTFAA391 FFTRAFDQIR401 MAAISESNIN 411 LCGSHCGVSI421 GEDGPSQMAL431 EDLAMFRSVP441 TSTVFYPSDG451 VATEKAVELA 461 ANTKGICFIR471 TSRPENAIIY481 NNNEDFQVGQ491 AKVVLKSKDD501 QVTVIGAGVT 511 LHEALAAAEL521 LKKEKINIRV531 LDPFTIKPLD541 RKLILDSARA551 TKGRILTVED 561 HYYEGGIGEA571 VSSAVVGEPG581 ITVTHLAVNR591 VPRSGKPAEL601 LKMFGIDRDA 611 IAQAVRGLIT621
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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 .T6F or .T6F2 or .T6F3 or :3T6F;style chemicals stick;color identity;select .A:37 or .A:40 or .A:43 or .A:75 or .A:77 or .A:101 or .A:110 or .A:123 or .A:124 or .A:125 or .A:154 or .A:155 or .A:156 or .A:157 or .A:158 or .A:160 or .A:183 or .A:185 or .A:187 or .A:188 or .A:189 or .A:193 or .A:244 or .A:258 or .A:259 or .A:260 or .A:398; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS37
2.934
SER40
2.028
SER43
4.429
LYS75
1.764
HIS77
1.835
ARG101
4.691
HIS110
2.846
GLY123
2.894
SER124
2.730
LEU125
2.206
GLY154
2.649
ASP155
2.922
GLY156
2.023
GLU157
2.077
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| Ligand Name: 2-{4-[(4-Amino-2-Methylpyrimidin-5-Yl)methyl]-5-[(1r)-1,2-Dihydroxyethyl]-3-Methylthiophen-2-Yl}ethyl Trihydrogen Diphosphate | Ligand Info | |||||
| Structure Description | Human transketolase in complex with ThDP analogue (R)-2-(1,2-dihydroxyethyl)-3-deaza-ThDP | PDB:4KXY | ||||
| Method | X-ray diffraction | Resolution | 1.26 Å | Mutation | No | [1] |
| PDB Sequence |
ESYHKPDQQK
11 LQALKDTANR21 LRISSIQATT31 AAGSGHPTSC41 CSAAEIMAVL51 FFHTMRYKSQ 61 DPRNPHNDRF71 VLSKGHAAPI81 LYAVWAEAGF91 LAEAELLNLR101 KISSDLDGHP 111 VPKQAFTDVA121 TGSLGQGLGA131 ACGMAYTGKY141 FDKASYRVYC151 LLGDGELSEG 161 SVWEAMAFAS171 IYKLDNLVAI181 LDINRLGQSD191 PAPLQHQMDI201 YQKRCEAFGW 211 HAIIVDGHSV221 EELCKAFGQA231 KHQPTAIIAK241 TFKGRGITGV251 EDKESWHGKP 261 LPKNMAEQII271 QEIYSQIQSK281 KKILATPPQE291 DAPSVDIANI301 RMPSLPSYKV 311 GDKIATRKAY321 GQALAKLGHA331 SDRIIALDGD341 TKNSTFSEIF351 KKEHPDRFIE 361 CYIAEQNMVS371 IAVGCATRNR381 TVPFCSTFAA391 FFTRAFDQIR401 MAAISESNIN 411 LCGSHCGVSI421 GEDGPSQMAL431 EDLAMFRSVP441 TSTVFYPSDG451 VATEKAVELA 461 ANTKGICFIR471 TSRPENAIIY481 NNNEDFQVGQ491 AKVVLKSKDD501 QVTVIGAGVT 511 LHEALAAAEL521 LKKEKINIRV531 LDPFTIKPLD541 RKLILDSARA551 TKGRILTVED 561 HYYEGGIGEA571 VSSAVVGEPG581 ITVTHLAVNR591 VPRSGKPAEL601 LKMFGIDRDA 611 IAQAVRGLIT621
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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 .1U0 or .1U02 or .1U03 or :31U0;style chemicals stick;color identity;select .A:37 or .A:40 or .A:43 or .A:75 or .A:77 or .A:110 or .A:123 or .A:124 or .A:125 or .A:154 or .A:155 or .A:156 or .A:157 or .A:160 or .A:183 or .A:185 or .A:187 or .A:188 or .A:189 or .A:244 or .A:258 or .A:398; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS37
2.770
SER40
2.527
SER43
4.558
LYS75
2.674
HIS77
2.689
HIS110
2.888
GLY123
2.756
SER124
3.563
LEU125
3.044
GLY154
3.563
ASP155
3.017
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Sub-?ngstr?m-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate. Nat Chem. 2013 Sep;5(9):762-7. | ||||
| REF 2 | Low-barrier hydrogen bonds in enzyme cooperativity. Nature. 2019 Sep;573(7775):609-613. | ||||
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