eF-site ID 6dgr-A
PDB Code 6dgr
Chain A

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Title Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10638
Classification TRANSCRIPTION/TRANSCRIPTION INHIBITOR
Compound Peroxisome proliferator-activated receptor gamma
Source (PPARG_HUMAN)
Sequence A:  ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSP
FVIYDMNSLMMGEDKIKFKHEVAIRIFQGCQFRSVEAVQE
ITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMN
KDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFN
ALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQ
ALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQV
IKKTETDMSLHPLLQEIYKDL
Description (1)  Peroxisome proliferator-activated receptor gamma


Functional site

1) chain A
residue 282
type
ligand
sequence F
description binding site for residue GDY A 501
source : AC1

2) chain A
residue 285
type
ligand
sequence C
description binding site for residue GDY A 501
source : AC1

3) chain A
residue 289
type
ligand
sequence S
description binding site for residue GDY A 501
source : AC1

4) chain A
residue 323
type
ligand
sequence H
description binding site for residue GDY A 501
source : AC1

5) chain A
residue 341
type
ligand
sequence I
description binding site for residue GDY A 501
source : AC1

6) chain A
residue 364
type
ligand
sequence M
description binding site for residue GDY A 501
source : AC1

7) chain A
residue 449
type
ligand
sequence H
description binding site for residue GDY A 501
source : AC1

8) chain A
residue 473
type
ligand
sequence Y
description binding site for residue GDY A 501
source : AC1

9) chain A
residue 264
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence F
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

10) chain A
residue 281-282
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence IF
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

11) chain A
residue 284-286
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence GCQ
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

12) chain A
residue 288-289
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence RS
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

13) chain A
residue 323
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence H
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

14) chain A
residue 326-327
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence IY
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

15) chain A
residue 330
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence L
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

16) chain A
residue 339-341
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence VLI
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

17) chain A
residue 348
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence M
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

18) chain A
residue 363-364
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence FM
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

19) chain A
residue 449
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence H
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

20) chain A
residue 453
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence L
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

21) chain A
residue 465
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence L
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

22) chain A
residue 469
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence L
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501

23) chain A
residue 473
type binding
ligand GDY: (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
sequence Y
description (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione binding site
source pdb_hetatom : GDY_6dgr_A_501


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