eF-site ID 1uyg-A
PDB Code 1uyg
Chain A

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Title Human Hsp90-alpha with 8-(2,5-dimethoxy-benzyl)-2-fluoro-9H-purin-6-ylamine
Classification CHAPERONE
Compound HEAT SHOCK PROTEIN HSP 90-ALPHA
Source Homo sapiens (Human) (HS9A_HUMAN)
Sequence A:  EVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDA
LDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTG
IGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFG
VGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTD
TGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIG
YPITLFVEK
Description (1)  HEAT SHOCK PROTEIN HSP 90-ALPHA


Functional site

1) chain A
residue 51
type
ligand
sequence N
description BINDING SITE FOR RESIDUE PU2 A1224
source : AC1

2) chain A
residue 55
type
ligand
sequence A
description BINDING SITE FOR RESIDUE PU2 A1224
source : AC1

3) chain A
residue 93
type
ligand
sequence D
description BINDING SITE FOR RESIDUE PU2 A1224
source : AC1

4) chain A
residue 96
type
ligand
sequence I
description BINDING SITE FOR RESIDUE PU2 A1224
source : AC1

5) chain A
residue 97
type
ligand
sequence G
description BINDING SITE FOR RESIDUE PU2 A1224
source : AC1

6) chain A
residue 98
type
ligand
sequence M
description BINDING SITE FOR RESIDUE PU2 A1224
source : AC1

7) chain A
residue 107
type
ligand
sequence L
description BINDING SITE FOR RESIDUE PU2 A1224
source : AC1

8) chain A
residue 138
type
ligand
sequence F
description BINDING SITE FOR RESIDUE PU2 A1224
source : AC1

9) chain A
residue 162
type
ligand
sequence W
description BINDING SITE FOR RESIDUE PU2 A1224
source : AC1

10) chain A
residue 184
type
ligand
sequence T
description BINDING SITE FOR RESIDUE PU2 A1224
source : AC1

11) chain A
residue 51
type BINDING
ligand
sequence N
description ATP.
source Swiss-Prot : SWS_FT_FI1

12) chain A
residue 93
type BINDING
ligand
sequence D
description ATP.
source Swiss-Prot : SWS_FT_FI1

13) chain A
residue 138
type BINDING
ligand
sequence F
description ATP; via amide nitrogen.
source Swiss-Prot : SWS_FT_FI2

14) chain A
residue 112
type BINDING
ligand
sequence K
description ATP. {ECO:0000250}.
source Swiss-Prot : SWS_FT_FI3

15) chain A
residue 38-47
type prosite
ligand
sequence YSNKEIFLRE
description Heat shock hsp90 proteins family signature. Y-x-[NQHD]-[KHR]-[DE]-[IVA]-F-[LM]-R-[ED]
source prosite : PS00298

16) chain A
residue 51-52
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence NS
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224

17) chain A
residue 55
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence A
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224

18) chain A
residue 93
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence D
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224

19) chain A
residue 96-98
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence IGM
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224

20) chain A
residue 103
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence L
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224

21) chain A
residue 107
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence L
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224

22) chain A
residue 111
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence A
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224

23) chain A
residue 135-136
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence GV
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224

24) chain A
residue 138-139
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence FY
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224

25) chain A
residue 150
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence V
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224

26) chain A
residue 162
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence W
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224

27) chain A
residue 184
type binding
ligand PU2: 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
sequence T
description 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE binding site
source pdb_hetatom : PU2_1uyg_A_1224


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