eF-site ID 6dgq-AB
PDB Code 6dgq
Chain A, B

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Title Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with CAY10506
Classification TRANSCRIPTION/TRANSCRIPTION INHIBITOR
Compound Peroxisome proliferator-activated receptor gamma
Source (PPARG_HUMAN)
Sequence A:  ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSP
FVIYDMNSLMMGEDKIKEVAIRIFQGCQFRSVEAVQEITE
YAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDG
VLISEGQGFMTREFLKSLKPFGDFMEPKFEFAVKFNALEL
DDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALEL
QLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKT
ETDMSLHPLLQEIYKDL
B:  ESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSP
FVIYDMNSLMMGEDKIKEVAIRIFQGCQFRSVEAVQEITE
YAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDG
VLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALE
LDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALE
LQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKK
TEHPLLQEIYKDL
Description (1)  Peroxisome proliferator-activated receptor gamma


Functional site

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

2) chain A
residue 284
type
ligand
sequence G
description binding site for residue GBV A 501
source : AC1

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

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

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

6) chain A
residue 330
type
ligand
sequence L
description binding site for residue GBV A 501
source : AC1

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

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

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

10) chain A
residue 453
type
ligand
sequence L
description binding site for residue GBV A 501
source : AC1

11) chain A
residue 469
type
ligand
sequence L
description binding site for residue GBV A 501
source : AC1

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

13) chain A
residue 249
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence I
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

14) chain A
residue 255
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence L
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

15) chain A
residue 280-282
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence RIF
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

16) chain A
residue 284-286
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence GCQ
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

17) chain A
residue 288-289
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence RS
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

18) chain A
residue 323
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence H
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

19) chain A
residue 326-327
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence IY
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

20) chain A
residue 330
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence L
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

21) chain A
residue 339-342
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence VLIS
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

22) chain A
residue 348
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence M
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

23) chain A
residue 363-364
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence FM
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

24) chain A
residue 367
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence K
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

25) chain A
residue 449
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence H
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

26) chain A
residue 453
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence L
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

27) chain A
residue 469
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence L
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501

28) chain A
residue 473
type binding
ligand GBV: N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
sequence Y
description N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide binding site
source pdb_hetatom : GBV_6dgq_A_501


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