Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T28484 | Target Info | |||
| Target Name | Kinesin-like protein KIF11 (KIF11) | ||||
| Synonyms | Thyroid receptor interacting protein 5; TRIP5; Kinesin-related motor protein Eg5; Kinesin-like spindle protein HKSP; Kinesin-like protein 1; KIF11; Eg5 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | KIF11 | ||||
| Biochemical Class | Kinesin-like protein family | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | adenosine diphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | XTWYTFMLZFPYCI-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 6022 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6G6Y Eg5-inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGS61 SRKTYTFDMV71 FGASTKQIDV 81 YRSVVCPILD91 EVIMGYNCTI101 FAYGQTGTGK111 TFTMEGERSP121 NEEYTWEEDP 131 LAGIIPRTLH141 QIFEKLTDNG151 TEFSVKVSLL161 EIYNEELFDL171 LNPSERLQMF 185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA225 TLMNAYSSRS 235 HSVFSVTIHM245 KETELVKIGK260 LNLVDLAGSE270 NNINQSLLTL295 GRVITALVER 305 TPHVPYRESK315 LTRILQDSLG325 GRTRTSIIAT335 ISPASLNLEE345 TLSTLEYAHR 355 AKNILNKPE
|
|||||
|
|
||||||
| PDB ID: 4AP0 The mitotic kinesin Eg5 in complex with Mg-ADP and ispinesib | ||||||
| Method | X-ray diffraction | Resolution | 2.59 Å | Mutation | No | [2] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LSRKTYTFDM70 VFGASTKQID 80 VYRSVVCPIL90 DEVIMGYNCT100 IFAYGQTGTG110 KTFTMEGERS120 PNEEYTWEED 130 PLAGIIPRTL140 HQIFEKLTDN150 GTEFSVKVSL160 LEIYNEELFD170 LLNPSSDVSE 180 RLQMFDDPRN190 KRGVIIKGLE200 EITVHNKDEV210 YQILEKGAAK220 RTTAATLMNA 230 YSSRSHSVFS240 VTIHMKEVKI258 GKLNLVDLAG268 SENIGRINQS291 LLTLGRVITA 301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL341 NLEETLSTLE 351 YAHRAKNILN361 KPEVN
|
|||||
|
|
||||||
| PDB ID: 6G6Z Eg5-inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [1] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERSA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENINQSLL 293 TLGRVITALV303 ERTPHVPYRE313 SKLTRILQDS323 LGGRTRTSII333 ATISPASLNL 343 EETLSTLEYA353 HRAKNILNKP363 EVN
|
|||||
|
|
||||||
| PDB ID: 4ZCA Eg5 motor domain mutant Y231F | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [3] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGEYTWEEDP 131 LAGIIPRTLH141 QIFEKLTDNG151 TEFSVKVSLL161 EIYNEELFDL171 LNPSSDVSER 181 LQMFDDPRNK191 RGVIIKGLEE201 ITVHNKDEVY211 QILEKGAAKR221 TTAATLMNAF 231 SSRSHSVFSV241 TIHMKETTID251 GEELVKIGKL261 NLVDLAGSER281 AREAGNINQS 291 LLTLGRVITA301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL 341 NLEETLSTLE351 YAHRAKNILN361 KPEV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4ZHI Eg5 motor domain mutant E162S | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [4] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLAGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLSIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSRS235 HSVFSVTIHM245 KETTIDGEEL255 VKIGKLNLVD265 LAGSEQSLLT 294 LGRVITALVE304 RTPHVPYRES314 KLTRILQDSL324 GGRTRTSIIA334 TISPASLNLE 344 ETLSTLEYAH354 RAKNILNKPE364
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3KEN Human Eg5 in complex with S-trityl-L-cysteine | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [5] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENINQSLL 293 TLGRVITALV303 ERTPHVPYRE313 SKLTRILQDS323 LGGRTRTSII333 ATISPASLNL 343 EETLSTLEYA353 HRAKNILNKP363 EVN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:26 or .A:27 or .A:74 or .A:76 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2PG2 Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 15 | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [6] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLAGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLEIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSRS235 HSVFSVTIHM245 KETTIDGEEL255 VKIGKLNLVD265 LAGSENINQS 291 LLTLGRVITA301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL 341 NLEETLSTLE351 YAHRAKNILN361 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2X7C Crystal structure of human kinesin Eg5 in complex with (S)-enastron | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [7] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362 PE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3K5E The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol. | ||||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [8] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGD59 KSSRKTYTFD69 MVFGASTKQI 79 DVYRSVVCPI89 LDEVIMGYNC99 TIFAYGQTGT109 GKTFTMEGER119 SPNEEYTWEE 129 DPLAGIIPRT139 LHQIFEKLTD149 NGTEFSVKVS159 LLEIYNEELF169 DLLNPSSDVS 179 ERLQMFDDPR189 NKRGVIIKGL199 EEITVHNKDE209 VYQILEKGAA219 KRTTAATLMN 229 AYSSRSHSVF239 SVTIHMKETT249 IDGEELVKIG259 KLNLVDLAGS269 ENNINQSLLT 294 LGRVITALVE304 RTPHVPYRES314 KLTRILQDSL324 GGRTRTSIIA334 TISPASLNLE 344 ETLSTLEYAH354 RAKNILNKP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2WOG Intermediate and final states of human kinesin Eg5 in complex with S-trityl-L-cysteine | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [9] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LADKSSRKTY66 TFDMVFGAST 76 KQIDVYRSVV86 CPILDEVIMG96 YNCTIFAYGQ106 TGTGKTFTME116 GERSPNEEYT 126 WEEDPLAGII136 PRTLHQIFEK146 LTDNGTEFSV156 KVSLLEIYNE166 ELFDLLNPSS 176 DVSERLQMFD186 DPRNKRGVII196 KGLEEITVHN206 KDEVYQILEK216 GAAKRTTAAT 226 LMNAYSSRSH236 SVFSVTIHMK246 ETTIDGEELV256 KIGKLNLVDL266 AGSENNINQS 291 LLTLGRVITA301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL 341 NLEETLSTLE351 YAHRAKNILN361 KPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3L9H X-ray structure of mitotic kinesin-5 (KSP, KIF11, Eg5)in complex with the hexahydro-2H-pyrano[3,2-c]quinoline EMD 534085 | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [10] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLAGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLEIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSRS235 HSVFSVTIHM245 KETTIDGEEL255 VKIGKLNLVD265 LAGSENINQS 291 LLTLGRVITA301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL 341 NLEETLSTLE351 YAHRAKNILN361 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1II6 Crystal Structure of the Mitotic Kinesin Eg5 in Complex with Mg-ADP. | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [11] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLAGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLEIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSRS235 HSVFSVTIHM245 KETTIDGEEL255 VKIGKLNLVD265 LAGSERAREA 285 GNINQSLLTL295 GRVITALVER305 TPHVPYRESK315 LTRILQDSLG325 GRTRTSIIAT 335 ISPASLNLEE345 TLSTLEYAHR355 AKNILNKPEV365
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2FME Crystal structure of the mitotic kinesin eg5 (ksp) in complex with mg-adp and (r)-4-(3-hydroxyphenyl)-n,n,7,8-tetramethyl-3,4-dihydroisoquinoline-2(1h)-carboxamide | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [12] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 SSRKTYTFDM70 VFGASTKQID 80 VYRSVVCPIL90 DEVIMGYNCT100 IFAYGQTGTG110 KTFTMEGERS120 PNEEYTWEED 130 PLAGIIPRTL140 HQIFEKLTDN150 GTEFSVKVSL160 LEIYNEELFD170 LLNPSSDVSE 180 RLQMFDDPRN190 KRGVIIKGLE200 EITVHNKDEV210 YQILEKGAAK220 RTTAATLMNA 230 YSSRSHSVFS240 VTIHMKVKIG259 KLNLVDLAGS269 ENIGRINQSL292 LTLGRVITAL 302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN342 LEETLSTLEY 352 AHRAKNILNK362 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2UYI Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 33 | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [6] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLAGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLEIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSRS235 HSVFSVTIHM245 KETTIDGEEL255 VKIGKLNLVD265 LAGSENINQS 291 LLTLGRVITA301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL 341 NLEETLSTLE351 YAHRAKNILN361 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2UYM Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 37 | ||||||
| Method | X-ray diffraction | Resolution | 2.11 Å | Mutation | No | [6] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLAGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLEIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSRS235 HSVFSVTIHM245 KETTIDGEEL255 VKIGKLNLVD265 LAGSENINQS 291 LLTLGRVITA301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL 341 NLEETLSTLE351 YAHRAKNILN361 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2X2R Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((4-chlorophenyl)diphenylmethylthio)propanoic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [13] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LADKSSRKTY66 TFDMVFGAST 76 KQIDVYRSVV86 CPILDEVIMG96 YNCTIFAYGQ106 TGTGKTFTME116 GERSPNEEYT 126 WEEDPLAGII136 PRTLHQIFEK146 LTDNGTEFSV156 KVSLLEIYNE166 ELFDLLNPSS 176 DVSERLQMFD186 DPRNKRGVII196 KGLEEITVHN206 KDEVYQILEK216 GAAKRTTAAT 226 LMNAYSSRSH236 SVFSVTIHMK246 ETTIDGEELV256 KIGKLNLVDL266 AGSENQSLLT 294 LGRVITALVE304 RTPHVPYRES314 KLTRILQDSL324 GGRTRTSIIA334 TISPASLNLE 344 ETLSTLEYAH354 RAKNILNKPE364 V
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2GM1 Crystal structure of the mitotic kinesin eg5 in complex with mg-adp and n-(3-aminopropyl)-n-((3-benzyl-5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)(cyclopropyl)methyl)-4-methylbenzamide | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [14] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LKSSRKTYTF68 DMVFGASTKQ 78 IDVYRSVVCP88 ILDEVIMGYN98 CTIFAYGQTG108 TGKTFTMEGE118 RSPNEEYTWE 128 EDPLAGIIPR138 TLHQIFEKLT148 DNGTEFSVKV158 SLLEIYNEEL168 FDLLNPSSDV 178 SERLQMFDDP188 RNKRGVIIKG198 LEEITVHNKD208 EVYQILEKGA218 AKRTTAATLM 228 NAYSSRSHSV238 FSVTIHMKEV256 KIGKLNLVDL266 AGSENIGRIN289 QSLLTLGRVI 299 TALVERTPHV309 PYRESKLTRI319 LQDSLGGRTR329 TSIIATISPA339 SLNLEETLST 349 LEYAHRAKNI359 LNKPEVNQ
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2X7D Crystal structure of human kinesin Eg5 in complex with (S)-dimethylenastron | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [7] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LADKSSRKTY66 TFDMVFGAST 76 KQIDVYRSVV86 CPILDEVIMG96 YNCTIFAYGQ106 TGTGKTFTME116 GERSPNEEYT 126 WEEDPLAGII136 PRTLHQIFEK146 LTDNGTEFSV156 KVSLLEIYNE166 ELFDLLNPSS 176 DVSERLQMFD186 DPRNKRGVII196 KGLEEITVHN206 KDEVYQILEK216 GAAKRTTAAT 226 LMNAYSSRSH236 SVFSVTIHMK246 ETTIDGEELV256 KIGKLNLVDL266 AGSENNINQS 291 LLTLGRVITA301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL 341 NLEETLSTLE351 YAHRAKNILN361 KPEVN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2X7E Crystal structure of human kinesin Eg5 in complex with (R)-fluorastrol | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [7] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LADKSSRKTY66 TFDMVFGAST 76 KQIDVYRSVV86 CPILDEVIMG96 YNCTIFAYGQ106 TGTGKTFTME116 GERSPNEEYT 126 WEEDPLAGII136 PRTLHQIFEK146 LTDNGTEFSV156 KVSLLEIYNE166 ELFDLLNPSS 176 DVSERLQMFD186 DPRNKRGVII196 KGLEEITVHN206 KDEVYQILEK216 GAAKRTTAAT 226 LMNAYSSRSH236 SVFSVTIHMK246 ETTIDGEELV256 KIGKLNLVDL266 AGSENNINQS 291 LLTLGRVITA301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL 341 NLEETLSTLE351 YAHRAKNILN361 KPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3K3B Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [15] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLAGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLEIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSRS235 HSVFSVTIHM245 KETTIDGEEL255 VKIGKLNLVD265 LAGSEAGNIN 289 QSLLTLGRVI299 TALVERTPHV309 PYRESKLTRI319 LQDSLGGRTR329 TSIIATISPA 339 SLNLEETLST349 LEYAHRAKNI359 LNKPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4AS7 Eg5 complex 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [16] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLDGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLEIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSRS235 HSVFSVTIHM245 KETTIDGEEL255 VKIGKLNLVD265 LAGSENIGRS 275 GAVDKRAREA285 GNINQSLLTL295 GRVITALVER305 TPHVPYRESK315 LTRILQDSLG 325 GRTRTSIIAT335 ISPASLNLEE345 TLSTLEYAHR355 AKNILNKPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4A5Y Intermediate state of human kinesin Eg5 in complex with Ispinesib | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [17] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LADKSSRKTY66 TFDMVFGAST 76 KQIDVYRSVV86 CPILDEVIMG96 YNCTIFAYGQ106 TGTGKTFTME116 GERSPNEEYT 126 WEEDPLAGII136 PRTLHQIFEK146 LTDNGTEFSV156 KVSLLEIYNE166 ELFDLLNPSS 176 DVSERLQMFD186 DPRNKRGVII196 KGLEEITVHN206 KDEVYQILEK216 GAAKRTTAAT 226 LMNAYSSRSH236 SVFSVTIHMK246 ETEELVKIGK260 LNLVDLAGSE270 NRAREAGNIN 289 QSLLTLGRVI299 TALVERTPHV309 PYRESKLTRI319 LQDSLGGRTR329 TSIIATISPA 339 SLNLEETLST349 LEYAHRAKNI359 LNKP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1YRS Crystal structure of KSP in complex with inhibitor 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [18] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4B7B Eg5-3 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [16] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGEREYTWEE 129 VPLDGIIPRT139 LHQIFEKLTD149 NGTEFSVKVS159 LLEIYNEELF169 DLLNPSSDSE 180 RLQMFDDPRN190 KRGVIIKGLE200 EITVHNKDEV210 YQILEKGAAK220 RTTAATLMNA 230 YSSRSHSVFS240 VTIHMKETTI250 DGEELVKIGK260 LNLVDLAGSE270 NININQSLLT 294 LGRVITALVE304 RTPHVPYRES314 KLTRILQDSL324 GGRTRTSIIA334 TISPASLNLE 344 ETLSTLEYAH354 RAKNILNKP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:26 or .A:27 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2G1Q crystal structure of KSP in complex with inhibitor 9h | ||||||
| Method | X-ray diffraction | Resolution | 2.51 Å | Mutation | No | [19] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4A28 Eg5-2 | ||||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | Yes | [16] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSEEDPL 132 DGIIPRTLHQ142 IFEKLTDNGT152 EFSVKVSLLE162 IYNEELFDLL172 NPSSDVSERL 182 QMFDDPRNKR192 GVIIKGLEEI202 TVHNKDEVYQ212 ILEKGAAKRT222 TAATLMNAYS 232 SRSHSVFSVT242 IHMKETTIDG252 EELVKIGKLN262 LVDLAGSERA282 REAGNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362 PE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2XAE Crystal structure of human kinesin Eg5 in complex with (R)-2-amino-3-((S)-2-methyl-1,1-diphenylbutylthio)propanoic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [13] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LADKSSRKTY66 TFDMVFGAST 76 KQIDVYRSVV86 CPILDEVIMG96 YNCTIFAYGQ106 TGTGKTFTME116 GERSPNEEYT 126 WEEDPLAGII136 PRTLHQIFEK146 LTDNGTEFSV156 KVSLLEIYNE166 ELFDLLNPSS 176 DVSERLQMFD186 DPRNKRGVII196 KGLEEITVHN206 KDEVYQILEK216 GAAKRTTAAT 226 LMNAYSSRSH236 SVFSVTIHMK246 EEELVKIGKL261 NLVDLAGSEN271 NINQSLLTLG 296 RVITALVERT306 PHVPYRESKL316 TRILQDSLGG326 RTRTSIIATI336 SPASLNLEET 346 LSTLEYAHRA356 KNILNKPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4A50 Crystal structure of human kinesin Eg5 in complex with 2-Amino-5-(3-methylphenyl)-5,5-diphenylpentanoic acid | ||||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [20] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LADKSSRKTY66 TFDMVFGAST 76 KQIDVYRSVV86 CPILDEVIMG96 YNCTIFAYGQ106 TGTGKTFTME116 GERSPNEEYT 126 WEEDPLAGII136 PRTLHQIFEK146 LTDNGTEFSV156 KVSLLEIYNE166 ELFDLLNPSS 176 DVSERLQMFD186 DPRNKRGVII196 KGLEEITVHN206 KDEVYQILEK216 GAAKRTTAAT 226 LMNAYSSRSH236 SVFSVTIHMK246 ETTIDGEELV256 KIGKLNLVDL266 AGSENININQ 290 SLLTLGRVIT300 ALVERTPHVP310 YRESKLTRIL320 QDSLGGRTRT330 SIIATISPAS 340 LNLEETLSTL350 EYAHRAKNIL360 NKPEVN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4A51 Crystal structure of human kinesin Eg5 in complex with 1-(3-(((2-Aminoethyl)thio)diphenylmethyl)phenyl)ethanone hydrochloride | ||||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [20] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKL255 VKIGKLNLVD265 LAGSENINQS291 LLTLGRVITA 301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL341 NLEETLSTLE 351 YAHRAKNILN361 KP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4BBG Crystal structure of human kinesin Eg5 in complex with 3-(((2-Aminoethyl)sulfanyl)(3-ethylphenyl) phenylmethyl)phenol | ||||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [21] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LADKSSRKTY66 TFDMVFGAST 76 KQIDVYRSVV86 CPILDEVIMG96 YNCTIFAYGQ106 TGTGKTFTME116 GERSPNEEYT 126 WEEDPLAGII136 PRTLHQIFEK146 LTDNGTEFSV156 KVSLLEIYNE166 ELFDLLNPSS 176 DVSERLQMFD186 DPRNKRGVII196 KGLEEITVHN206 KDEVYQILEK216 GAAKRTTAAT 226 LMNAYSSRSH236 SVFSVTIHMK246 ETTIDGEELV256 KIGKLNLVDL266 AGSENININQ 290 SLLTLGRVIT300 ALVERTPHVP310 YRESKLTRIL320 QDSLGGRTRT330 SIIATISPAS 340 LNLEETLSTL350 EYAHRAKNIL360 NKPEVN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6HKY Eg5-inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [22] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLAGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLEIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSRS235 HSVFSVTIHM245 KEELVKIGKL261 NLVDLAGSEN271 NINQSLLTLG 296 RVITALVERT306 PHVPYRESKL316 TRILQDSLGG326 RTRTSIIATI336 SPASLNLEET 346 LSTLEYAHRA356 KNILNKPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4BXN Eg5(WT) complex | ||||||
| Method | X-ray diffraction | Resolution | 2.79 Å | Mutation | No | [16] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENIGRSGA 277 VDKRAREAGN287 INQSLLTLGR297 VITALVERTP307 HVPYRESKLT317 RILQDSLGGR 327 TRTSIIATIS337 PASLNLEETL347 STLEYAHRAK357 NILNKPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:26 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:232 or .A:233; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 4A1Z Eg5-1 | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [16] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LADKSSRKTY66 TFDMVFGAST 76 KQIDVYRSVV86 CPILDEVIMG96 YNCTIFAYGQ106 TGTGKTFTME116 GERYTWEEVP 131 LAGIIPRTLH141 QIFEKLTDNG151 TEFSVKVSLL161 EIYNEELFDL171 LNPSSDVSER 181 LQMFDDPRGV194 IIKGLEEITV204 HNKDEVYQIL214 EKGAAKRTTA224 ATLMNAYSSR 234 SHSVFSVTIH244 MKETTIDGEE254 LVKIGKLNLV264 DLAGSEEAGN287 INQSLLTLGR 297 VITALVERTP307 HVPYRESKLT317 RILQDSLGGR327 TRTSIIATIS337 PASLNLEETL 347 STLEYAHRAK357 NILNKPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6HKX Eg5-inhibitor complex | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [22] |
| PDB Sequence |
KNIQVVVRCR
26 PFNHSIVECD44 PVRKEVSVRT54 GGLADKSSRK64 TYTFDMVFGA74 STKQIDVYRS 84 VVCPILDEVI94 MGYNCTIFAY104 GQTGTGKTFT114 MEGERSPNEE124 YTWEEDPLAG 134 IIPRTLHQIF144 EKLTDNGTEF154 SVKVSLLEIY164 NEELFDLLNP174 SSDVSERLQM 184 FDDPRNKRGV194 IIKGLEEITV204 HNKDEVYQIL214 EKGAAKRTTA224 ATLMNAYSSR 234 SHSVFSVTIH244 MKETTLVKIG259 KLNLVDLAGS269 ENNINQSLLT294 LGRVITALVE 304 RTPHVPYRES314 KLTRILQDSL324 GGRTRTSIIA334 TISPASLNLE344 ETLSTLEYAH 354 RAKNILNKPE364
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6Y1I Human Eg5 motor domain mutant R234C | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | Yes | [23] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLAGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLEIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSCS235 HSVFSVTIHM245 KVKIGKLNLV264 DLAGSEGNIN289 QSLLTLGRVI 299 TALVERTPHV309 PYRESKLTRI319 LQDSLGGRTR329 TSIIATISPA339 SLNLEETLST 349 LEYAHRAKNI359 LNKPEV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6TLE Human Eg5 motor domain mutant E344K | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [24] |
| PDB Sequence |
KNIQVVVRCR
26 PFNLAERKAS36 AHSIVECDPV46 RKEVSVRTGG56 LADKSSRKTY66 TFDMVFGAST 76 KQIDVYRSVV86 CPILDEVIMG96 YNCTIFAYGQ106 TGTGKTFTME116 GERSPNEEYT 126 WEEDPLAGII136 PRTLHQIFEK146 LTDNGTEFSV156 KVSLLEIYNE166 ELFDLLNPSS 176 DVSERLQMFD186 DPRNKRGVII196 KGLEEITVHN206 KDEVYQILEK216 GAAKRTTAAT 226 LMNAYSSRSH236 SVFSVTIHMK246 ETTIDGEELV256 KIGKLNLVDL266 AGSERAREAG 286 NINQSLLTLG296 RVITALVERT306 PHVPYRESKL316 TRILQDSLGG326 RTRTSIIATI 336 SPASLNLKET346 LSTLEYAHRA356 KNILNKPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:26 or .A:27 or .A:74 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1Q0B Crystal structure of the motor protein KSP in complex with ADP and monastrol | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [25] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLADKSSRKT65 YTFDMVFGAS 75 TKQIDVYRSV85 VCPILDEVIM95 GYNCTIFAYG105 QTGTGKTFTM115 EGERSPNEEY 125 TWEEDPLAGI135 IPRTLHQIFE145 KLTDNGTEFS155 VKVSLLEIYN165 EELFDLLNPS 175 SDVSERLQMF185 DDPRNKRGVI195 IKGLEEITVH205 NKDEVYQILE215 KGAAKRTTAA 225 TLMNAYSSRS235 HSVFSVTIHM245 KETTIDGEEL255 VKIGKLNLVD265 LAGSENINQS 291 LLTLGRVITA301 LVERTPHVPY311 RESKLTRILQ321 DSLGGRTRTS331 IIATISPASL 341 NLEETLSTLE351 YAHRAKNILN361 K
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5ZO8 Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (P21 type) | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [26] |
| PDB Sequence |
MKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTS61 SRKTYTFDMV71 FGASTKQIDV 81 YRSVVCPILD91 EVIMGYNCTI101 FAYGQTGTGK111 TFTMEGERSP121 NEEYTWEEDP 131 LAGIIPRTLH141 QIFEKLTDNG151 TEFSVKVSLL161 EIYNEELFDL171 LNPSSDVSER 181 LQMFDDPRNK191 RGVIIKGLEE201 ITVHNKDEVY211 QILEKGAAKR221 TTAATLMNAY 231 SSRSHSVFSV241 TIHMKETTID251 GEELVKIGKL261 NLVDLAGSEN271 NINQSLLTLG 296 RVITALVERT306 PHVPYRESKL316 TRILQDSLGG326 RTRTSIIATI336 SPASLNLEET 346 LSTLEYAHRA356 KNILNKPEVN366 Q
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6TRL Human Eg5 motor domain mutant Y82F | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [27] |
| PDB Sequence |
GKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTG55 GLSSRKTYTF68 DMVFGASTKQ 78 IDVFRSVVCP88 ILDEVIMGYN98 CTIFAYGQTG108 TGKTFTMEGE118 RSPNEEYTWE 128 EDPLAGIIPR138 TLHQIFEKLT148 DNGTEFSVKV158 SLLEIYNEEL168 FDLLNPSSDV 178 SERLQMFDDP188 RNKRGVIIKG198 LEEITVHNKD208 EVYQILEKGA218 AKRTTAATLM 228 NAYSSRSHSV238 FSVTIHMKET248 TIDGEELVKI258 GKLNLVDLAG268 SENNQSLLTL 295 GRVITALVER305 TPHVPYRESK315 LTRILQDSLG325 GRTRTSIIAT335 ISPASLNLEE 345 TLSTLEYAHR355 AKNILNKPEV365
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3CJO Crystal structure of KSP in complex with inhibitor 30 | ||||||
| Method | X-ray diffraction | Resolution | 2.28 Å | Mutation | No | [28] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2FKY crystal structure of KSP in complex with inhibitor 13 | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [29] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2FL2 crystal structure of KSP in complex with inhibitor 19 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [29] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2FL6 crystal structure of KSP in complex with inhibitor 6 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [29] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2Q2Y Crystal Structure of KSP in complex with Inhibitor 1 | ||||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [30] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5ZO7 Kinesin spindle protein Eg5 in complex with STLC-type inhibitor PVEI0138 | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [26] |
| PDB Sequence |
MKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTD59 KSSRKTYTFD69 MVFGASTKQI 79 DVYRSVVCPI89 LDEVIMGYNC99 TIFAYGQTGT109 GKTFTMEGER119 SPNEEYTWEE 129 DPLAGIIPRT139 LHQIFEKLTD149 NGTEFSVKVS159 LLEIYNEELF169 DLLNPSSDVS 179 ERLQMFDDPR189 NKRGVIIKGL199 EEITVHNKDE209 VYQILEKGAA219 KRTTAATLMN 229 AYSSRSHSVF239 SVTIHMKETT249 IDGEELVKIG259 KLNLVDLAGS269 ENNINQSLLT 294 LGRVITALVE304 RTPHVPYRES314 KLTRILQDSL324 GGRTRTSIIA334 TISPASLNLE 344 ETLSTLEYAH354 RAKNILNKPE364 VN
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2IEH Crystal structure of human kinesin Eg5 in complex with (R)-mon97, a new monastrol-based inhibitor that binds as (R)-enantiomer | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [31] |
| PDB Sequence |
KGKNIQVVVR
24 CRPFNLAERK34 ASAHSIVECD44 PVRKEVSVRT54 GGLADKSSRK64 TYTFDMVFGA 74 STKQIDVYRS84 VVCPILDEVI94 MGYNCTIFAY104 GQTGTGKTFT114 MEGERSPNEE 124 YTWEEDPLAG134 IIPRTLHQIF144 EKLTDNGTEF154 SVKVSLLEIY164 NEELFDLLNP 174 SSDVSERLQM184 FDDPRNKRGV194 IIKGLEEITV204 HNKDEVYQIL214 EKGAAKRTTA 224 ATLMNAYSSR234 SHSVFSVTIH244 MKETTIDGEE254 LVKIGKLNLV264 DLAGSENINQ 290 SLLTLGRVIT300 ALVERTPHVP310 YRESKLTRIL320 QDSLGGRTRT330 SIIATISPAS 340 LNLEETLSTL350 EYAHRAKNIL360 NKPE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:105 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 5ZO9 Eg5 motor domain in complex with STLC-type inhibitor PVEI0021 (C2 type) | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [26] |
| PDB Sequence |
MKNIQVVVRC
25 RPFNLAERKA35 SAHSIVECDP45 VRKEVSVRTS61 SRKTYTFDMV71 FGASTKQIDV 81 YRSVVCPILD91 EVIMGYNCTI101 FAYGQTGTGK111 TFTMEGERSP121 NEEYTWEEDP 131 LAGIIPRTLH141 QIFEKLTDNG151 TEFSVKVSLL161 EIYNEELFDL171 LNPSSDVSER 181 LQMFDDPRNK191 RGVIIKGLEE201 ITVHNKDEVY211 QILEKGAAKR221 TTAATLMNAY 231 SSRSHSVFSV241 TIHMKETTID251 GEELVKIGKL261 NLVDLAGSEN271 NINQSLLTLG 296 RVITALVERT306 PHVPYRESKL316 TRILQDSLGG326 RTRTSIIATI336 SPASLNLEET 346 LSTLEYAHRA356 KNILNKPEVN366 Q
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 2Q2Z Crystal Structure of KSP in Complex with Inhibitor 22 | ||||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [30] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 1X88 Human Eg5 motor domain bound to Mg-ADP and monastrol | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [32] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGL57 ADKSSRKTYT67 FDMVFGASTK 77 QIDVYRSVVC87 PILDEVIMGY97 NCTIFAYGQT107 GTGKTFTMEG117 ERSPNEEYTW 127 EEDPLAGIIP137 RTLHQIFEKL147 TDNGTEFSVK157 VSLLEIYNEE167 LFDLLNPSSD 177 VSERLQMFDD187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL 227 MNAYSSRSHS237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL 292 LTLGRVITAL302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN 342 LEETLSTLEY352 AHRAKNILNK362 PE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:25 or .A:26 or .A:27 or .A:74 or .A:76 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:118 or .A:265 or .A:335; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 3ZCW Eg5 - New allosteric binding site | ||||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [33] |
| PDB Sequence |
NIQVVVRCRP
27 FNLAERKASA37 HSIVECDPVR47 KEVSVRTGGD59 KSSRKTYTFD69 MVFGASTKQI 79 DVYRSVVCPI89 LDEVIMGYNC99 TIFAYGQTGT109 GKTFTMEGER119 SPNEEYTWEE 129 DPLAGIIPRT139 LHQIFEKLTD149 NGTEFSVKVS159 LLEIYNEELF169 DLLNLQMFDD 187 PRNKRGVIIK197 GLEEITVHNK207 DEVYQILEKG217 AAKRTTAATL227 MNAYSSRSHS 237 VFSVTIHMKE247 TTIDGEELVK257 IGKLNLVDLA267 GSENNINQSL292 LTLGRVITAL 302 VERTPHVPYR312 ESKLTRILQD322 SLGGRTRTSI332 IATISPASLN342 LEETLSTLEY 352 AHRAKNILNK362 P
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:24 or .A:26 or .A:27 or .A:106 or .A:107 or .A:108 or .A:109 or .A:110 or .A:111 or .A:112 or .A:113 or .A:114 or .A:118 or .A:265 or .A:335; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the Eg5 - K858 complex and implications for structure-based design of thiadiazole-containing inhibitors. Eur J Med Chem. 2018 Aug 5;156:641-651. | ||||
| REF 2 | The structure of the ternary Eg5-ADP-ispinesib complex. Acta Crystallogr D Biol Crystallogr. 2012 Oct;68(Pt 10):1311-9. | ||||
| REF 3 | Eg5 | ||||
| REF 4 | Eg5 | ||||
| REF 5 | Allosteric drug discrimination is coupled to mechanochemical changes in the kinesin-5 motor core. J Biol Chem. 2010 Jun 11;285(24):18650-61. | ||||
| REF 6 | Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors. Bioorg Med Chem Lett. 2007 Jul 1;17(13):3562-9. | ||||
| REF 7 | Structural basis for inhibition of Eg5 by dihydropyrimidines: stereoselectivity of antimitotic inhibitors enastron, dimethylenastron and fluorastrol. J Med Chem. 2010 Aug 12;53(15):5676-83. | ||||
| REF 8 | The structure of human kinesin-like motor protein Kif11/KSP/Eg5 in complex with ADP and enastrol. | ||||
| REF 9 | An allosteric transition trapped in an intermediate state of a new kinesin-inhibitor complex. Biochem J. 2009 Dec 14;425(1):55-60. | ||||
| REF 10 | The discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs) as potent and selective inhibitors of the mitotic kinesin-5. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1491-5. | ||||
| REF 11 | Crystal structure of the mitotic spindle kinesin Eg5 reveals a novel conformation of the neck-linker. J Biol Chem. 2001 Jul 6;276(27):25496-502. | ||||
| REF 12 | Inhibitors of human mitotic kinesin Eg5: characterization of the 4-phenyl-tetrahydroisoquinoline lead series. Bioorg Med Chem Lett. 2006 Apr 15;16(8):2095-100. | ||||
| REF 13 | Structure-activity relationship and multidrug resistance study of new S-trityl-L-cysteine derivatives as inhibitors of Eg5. J Med Chem. 2011 Mar 24;54(6):1576-86. | ||||
| REF 14 | Synthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors. Bioorg Med Chem Lett. 2006 Aug 1;16(15):3937-42. | ||||
| REF 15 | The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5. Bioorg Med Chem Lett. 2010 Jan 1;20(1):157-60. | ||||
| REF 16 | Mitotic kinesin Eg5 overcomes inhibition to the phase I/II clinical candidate SB743921 by an allosteric resistance mechanism. J Med Chem. 2013 Aug 22;56(16):6317-29. | ||||
| REF 17 | Snapshots of ispinesib-induced conformational changes in the mitotic kinesin Eg5. J Biol Chem. 2013 Jun 21;288(25):18588-98. | ||||
| REF 18 | Kinesin spindle protein (KSP) inhibitors. Part 1: The discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of the mitotic kinesin KSP. Bioorg Med Chem Lett. 2005 Apr 15;15(8):2041-5. | ||||
| REF 19 | Kinesin spindle protein (KSP) inhibitors. Part 4: Structure-based design of 5-alkylamino-3,5-diaryl-4,5-dihydropyrazoles as potent, water-soluble inhibitors of the mitotic kinesin KSP. Bioorg Med Chem Lett. 2006 Jun 15;16(12):3175-9. | ||||
| REF 20 | Triphenylbutanamines: kinesin spindle protein inhibitors with in vivo antitumor activity. J Med Chem. 2012 Feb 23;55(4):1511-25. | ||||
| REF 21 | Optimized S-trityl-L-cysteine-based inhibitors of kinesin spindle protein with potent in vivo antitumor activity in lung cancer xenograft models. J Med Chem. 2013 Mar 14;56(5):1878-93. | ||||
| REF 22 | Is the Fate of Clinical Candidate Arry-520 Already Sealed? Predicting Resistance in Eg5-Inhibitor Complexes. Mol Cancer Ther. 2019 Dec;18(12):2394-2406. | ||||
| REF 23 | Human Eg5 motor domain mutant R234C | ||||
| REF 24 | Human Eg5 motor domain mutant E344K | ||||
| REF 25 | Inhibition of a mitotic motor protein: where, how, and conformational consequences. J Mol Biol. 2004 Jan 9;335(2):547-54. | ||||
| REF 26 | Structural and Thermodynamic Basis of the Enhanced Interaction between Kinesin Spindle Protein Eg5 and STLC-type Inhibitors. ACS Omega. 2018 Sep 28;3(9):12284-12294. | ||||
| REF 27 | Human Eg5 motor domain mutant Y82F | ||||
| REF 28 | Kinesin spindle protein (KSP) inhibitors. 9. Discovery of (2S)-4-(2,5-difluorophenyl)-n-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (MK-0731) for the treatment of taxane-refractory cancer. J Med Chem. 2008 Jul 24;51(14):4239-52. | ||||
| REF 29 | Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1775-9. | ||||
| REF 30 | Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP. Bioorg Med Chem Lett. 2007 Oct 15;17(20):5677-82. | ||||
| REF 31 | Structure of human Eg5 in complex with a new monastrol-based inhibitor bound in the R configuration. J Biol Chem. 2007 Mar 30;282(13):9740-9747. | ||||
| REF 32 | Structural Basis of Eg5 Inhibition by Monastrol | ||||
| REF 33 | Structural insights into a unique inhibitor binding pocket in kinesin spindle protein. J Am Chem Soc. 2013 Feb 13;135(6):2263-72. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.