Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T15334 | Target Info | |||
| Target Name | Cholesteryl ester transfer protein (CETP) | ||||
| Synonyms | Lipid transfer protein I; Cholesterol ester transfer protein | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CETP | ||||
| Biochemical Class | Bactericidal permeability increasing protein | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Torcetrapib | Ligand Info | |||||
| Structure Description | Crystal structure of cholesteryl ester transfer protein in complex with inhibitors | PDB:4EWS | ||||
| Method | X-ray diffraction | Resolution | 2.59 Å | Mutation | Yes | [1] |
| PDB Sequence |
TSHEAGIVCR
14 ITKPALLVLN24 HETAKVIQTA34 FQRASYPDIT44 GEKAMMLLGQ54 VKYGLHNIQI 64 SHLSIASSQV74 ELVEAKSIDV84 SIQDVSVVFK94 GTLKYGYTTA104 WWLGIDQSID 114 FEIDSAIDLQ124 INTQLTADSG134 RVRTDAPDCY144 LSFHKLLLHL154 QGEREPGWIK 164 QLFTNFISFT174 LKLVLKGQIC184 KEINVISNIM194 ADFVQTRAAS204 ILSDGDIGVD 214 ISLTGDPVIT224 ASYLESHHKG234 HFIYKDVSED244 LPLPTFSPTL254 LGDSRMLYFW 264 FSERVFHSLA274 KVAFQDGRLM284 LSLMGDEFKA294 VLETWGFNTN304 QEIFQEVVGG 314 FPSQAQVTVH324 CLKMPKISCQ334 NKGVVVDSSV344 MVKFLFPRPD354 QQHSVAYTFE 364 EDIVTTVQAS374 YSKKKLFLSL384 LDFQITPKTV394 SNLTESSSES404 IQSFLQSMIT 414 AVGIPEVMSR424 LEVVFTALMN434 SKGVSLFDII444 NPEIITRDGF454 LLLQMDFGFP 464 EHLLVDFLQS474 LS
|
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|
|
ILE11
3.288
VAL12
4.366
CYS13
3.764
ILE15
3.374
LEU129
3.502
GLY134
4.916
VAL136
3.182
THR138
4.922
ALA195
3.319
VAL198
3.547
GLN199
3.235
ARG201
4.020
ALA202
3.330
|
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| Ligand Name: Cholesteryl oleate | Ligand Info | |||||
| Structure Description | Crystal Structure of Cholesteryl Ester Transfer Protein | PDB:2OBD | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [2] |
| PDB Sequence |
TSHEAGIVCR
14 ITKPALLVLN24 HETAKVIQTA34 FQRASYPDIT44 GEKAMMLLGQ54 VKYGLHNIQI 64 SHLSIASSQV74 ELVEAKSIDV84 SIQDVSVVFK94 GTLKYGYTTA104 WWLGIDQSID 114 FEIDSAIDLQ124 INTQLTADSG134 RVRTDAPDCY144 LSFHKLLLHL154 QGEREPGWIK 164 QLFTNFISFT174 LKLVLKGQIC184 KEINVISNIM194 ADFVQTRAAS204 ILSDGDIGVD 214 ISLTGDPVIT224 ASYLESHHKG234 HFIYKDVSED244 LPLPTFSPTL254 LGDSRMLYFW 264 FSERVFHSLA274 KVAFQDGRLM284 LSLMGDEFKA294 VLETWGFNTN304 QEIFQEVVGG 314 FPSQAQVTVH324 CLKMPKISCQ334 NKGVVVDSSV344 MVKFLFPRPD354 QQHSVAYTFE 364 EDIVTTVQAS374 YSKKKLFLSL384 LDFQITPKTV394 SNLTESSSES404 IQSFLQSMIT 414 AVGIPEVMSR424 LEVVFTALMN434 SKGVSLFDII444 NPEIITRDGF454 LLLQMDFGFP 464 EHLLVDFLQS474 LS
|
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|
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ILE11
3.722
CYS13
4.085
ILE15
3.573
LEU23
4.220
THR27
3.717
VAL30
4.007
ILE31
3.737
ILE82
3.727
VAL84
3.845
ILE86
4.880
ILE125
3.796
THR127
3.745
LEU129
4.708
VAL136
3.647
THR138
3.829
ILE187
4.527
SER191
3.847
ALA195
3.954
VAL198
3.473
GLN199
3.503
ALA202
3.580
ILE205
4.301
LEU206
3.905
ILE215
4.109
LEU228
3.562
SER230
3.632
HIS232
3.182
LEU261
3.552
PHE263
3.652
PHE265
3.917
PHE270
4.091
LEU285
4.894
LEU287
3.951
PHE292
3.284
VAL295
3.763
LEU296
3.832
VAL321
3.619
VAL323
3.462
ILE331
4.738
VAL338
4.055
VAL340
3.436
SER342
4.846
VAL344
4.375
VAL346
4.096
PHE348
4.454
ILE367
3.641
THR369
3.465
VAL371
3.969
ALA373
3.944
TYR375
3.638
LEU380
4.460
LEU382
3.772
MET412
4.029
ILE413
4.212
VAL416
3.610
GLY417
3.416
ILE418
3.891
VAL421
3.566
MET422
3.625
LEU425
3.523
PHE429
3.772
MET433
4.129
VAL438
3.803
PHE441
3.595
ILE443
4.096
PRO446
4.362
ILE448
3.985
LEU455
3.906
LEU457
3.438
MET459
3.948
PHE461
3.555
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 1,2-Dilinoleoyl-SN-glycero-3-phosphocholine | Ligand Info | |||||
| Structure Description | Crystal structure of cholesteryl ester transfer protein in complex with inhibitors | PDB:4EWS | ||||
| Method | X-ray diffraction | Resolution | 2.59 Å | Mutation | Yes | [1] |
| PDB Sequence |
TSHEAGIVCR
14 ITKPALLVLN24 HETAKVIQTA34 FQRASYPDIT44 GEKAMMLLGQ54 VKYGLHNIQI 64 SHLSIASSQV74 ELVEAKSIDV84 SIQDVSVVFK94 GTLKYGYTTA104 WWLGIDQSID 114 FEIDSAIDLQ124 INTQLTADSG134 RVRTDAPDCY144 LSFHKLLLHL154 QGEREPGWIK 164 QLFTNFISFT174 LKLVLKGQIC184 KEINVISNIM194 ADFVQTRAAS204 ILSDGDIGVD 214 ISLTGDPVIT224 ASYLESHHKG234 HFIYKDVSED244 LPLPTFSPTL254 LGDSRMLYFW 264 FSERVFHSLA274 KVAFQDGRLM284 LSLMGDEFKA294 VLETWGFNTN304 QEIFQEVVGG 314 FPSQAQVTVH324 CLKMPKISCQ334 NKGVVVDSSV344 MVKFLFPRPD354 QQHSVAYTFE 364 EDIVTTVQAS374 YSKKKLFLSL384 LDFQITPKTV394 SNLTESSSES404 IQSFLQSMIT 414 AVGIPEVMSR424 LEVVFTALMN434 SKGVSLFDII444 NPEIITRDGF454 LLLQMDFGFP 464 EHLLVDFLQS474 LS
|
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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 .DLP or .DLP2 or .DLP3 or :3DLP;style chemicals stick;color identity;select .A:205 or .A:206 or .A:207 or .A:208 or .A:211 or .A:213 or .A:236 or .A:265 or .A:269 or .A:270 or .A:273 or .A:274 or .A:277 or .A:281 or .A:282 or .A:283 or .A:284 or .A:285 or .A:323 or .A:324 or .A:325 or .A:329 or .A:331 or .A:340 or .A:342 or .A:344 or .A:421 or .A:424 or .A:425 or .A:428 or .A:429 or .A:432 or .A:433; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE205
3.361
LEU206
3.602
SER207
3.690
ASP208
3.757
ILE211
3.595
VAL213
4.637
PHE236
4.201
PHE265
4.329
VAL269
4.253
PHE270
4.864
LEU273
3.827
ALA274
4.691
ALA277
3.758
GLY281
4.844
ARG282
3.174
LEU283
3.581
MET284
3.523
|
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| Ligand Name: (2r)-3-{[4-(4-Chloro-3-Ethylphenoxy)pyrimidin-2-Yl][3-(1,1,2,2-Tetrafluoroethoxy)benzyl]amino}-1,1,1-Trifluoropropan-2-Ol | Ligand Info | |||||
| Structure Description | Crystal structure of cholestryl esters transfer protein in complex with inhibitors | PDB:4F2A | ||||
| Method | X-ray diffraction | Resolution | 3.11 Å | Mutation | Yes | [1] |
| PDB Sequence |
TSHEAGIVCR
14 ITKPALLVLN24 HETAKVIQTA34 FQRASYPDIT44 GEKAMMLLGQ54 VKYGLHNIQI 64 SHLSIASSQV74 ELVEAKSIDV84 SIQDVSVVFK94 GTLKYGYTTA104 WWLGIDQSID 114 FEIDSAIDLQ124 INTQLTADSG134 RVRTDAPDCY144 LSFHKLLLHL154 QGEREPGWIK 164 QLFTNFISFT174 LKLVLKGQIC184 KEINVISNIM194 ADFVQTRAAS204 ILSDGDIGVD 214 ISLTGDPVIT224 ASYLESHHKG234 HFIYKDVSED244 LPLPTFSPTL254 LGDSRMLYFW 264 FSERVFHSLA274 KVAFQDGRLM284 LSLMGDEFKA294 VLETWGFNTN304 QEIFQEVVGG 314 FPSQAQVTVH324 CLKMPKISCQ334 NKGVVVDSSV344 MVKFLFPRPD354 QQHSVAYTFE 364 EDIVTTVQAS374 YSKKKLFLSL384 LDFQITPKTV394 SNLTESSSES404 IQSFLQSMIT 414 AVGIPEVMSR424 LEVVFTALMN434 SKGVSLFDII444 NPEIITRDGF454 LLLQMDFGFP 464 EHLLVDFLQS474 LS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0SF or .0SF2 or .0SF3 or :30SF;style chemicals stick;color identity;select .A:11 or .A:13 or .A:15 or .A:129 or .A:136 or .A:195 or .A:197 or .A:198 or .A:199 or .A:201 or .A:202 or .A:203 or .A:205 or .A:206 or .A:215 or .A:217 or .A:221 or .A:228 or .A:229 or .A:230 or .A:232 or .A:261 or .A:263 or .A:265 or .A:441; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE11
2.691
CYS13
2.879
ILE15
3.919
LEU129
3.350
VAL136
3.060
ALA195
4.708
PHE197
4.397
VAL198
3.183
GLN199
2.767
ARG201
3.526
ALA202
2.610
ALA203
4.835
ILE205
3.109
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structures of cholesteryl ester transfer protein in complex with inhibitors. J Biol Chem. 2012 Oct 26;287(44):37321-9. | ||||
| REF 2 | Crystal structure of cholesteryl ester transfer protein reveals a long tunnel and four bound lipid molecules. Nat Struct Mol Biol. 2007 Feb;14(2):106-13. | ||||
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