eF-site ID 4gst-A
PDB Code 4gst
Chain A

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Title REACTION COORDINATE MOTION IN AN SNAR REACTION CATALYZED BY GLUTATHIONE TRANSFERASE
Classification TRANSFERASE
Compound GLUTATHIONE S-TRANSFERASE
Source Rattus norvegicus (Rat) (GSTM1_RAT)
Sequence A:  PMILGYWNVRGLTHPIRLLLEYTDSSYEEKRYAMGDAPDY
DRSQWLNEKFKLGLDFPNLPYLIDGSRKITQSNAIMRYLA
RKHHLCGETEEERIRADIVENQVMDNRMQLIMLCYNPDFE
KQKPEFLKTIPEKMKLYSEFLGKRPWFAGDKVTYVDFLAY
DILDQYHIFEPKCLDAFPNLKDFLARFEGLKKISAYMKSS
RYLSTPIFSKLAQWSNK
Description (1)  GLUTATHIONE S-TRANSFERASE (ISOENZYME 3-3) (E.C.2.5.1.18) COMPLEX WITH 1-(S-(GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXADIENATE ANION


Functional site

1) chain A
residue 81
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 218
source : AC1

2) chain A
residue 86
type
ligand
sequence C
description BINDING SITE FOR RESIDUE SO4 A 218
source : AC1

3) chain A
residue 67
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 219
source : AC2

4) chain A
residue 49
type
ligand
sequence K
description BINDING SITE FOR RESIDUE SO4 A 220
source : AC3

5) chain A
residue 50
type
ligand
sequence F
description BINDING SITE FOR RESIDUE SO4 A 220
source : AC3

6) chain A
residue 199
type
ligand
sequence S
description BINDING SITE FOR RESIDUE SO4 A 221
source : AC4

7) chain A
residue 201
type
ligand
sequence R
description BINDING SITE FOR RESIDUE SO4 A 221
source : AC4

8) chain A
residue 121
type
ligand
sequence K
description BINDING SITE FOR RESIDUE SO4 B 219
source : AC6

9) chain A
residue 6
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

10) chain A
residue 7
type
ligand
sequence W
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

11) chain A
residue 11
type
ligand
sequence G
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

12) chain A
residue 12
type
ligand
sequence L
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

13) chain A
residue 42
type
ligand
sequence R
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

14) chain A
residue 45
type
ligand
sequence W
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

15) chain A
residue 49
type
ligand
sequence K
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

16) chain A
residue 58
type
ligand
sequence N
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

17) chain A
residue 59
type
ligand
sequence L
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

18) chain A
residue 60
type
ligand
sequence P
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

19) chain A
residue 71
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

20) chain A
residue 72
type
ligand
sequence S
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

21) chain A
residue 107
type
ligand
sequence R
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

22) chain A
residue 111
type
ligand
sequence I
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

23) chain A
residue 115
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

24) chain A
residue 208
type
ligand
sequence F
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

25) chain A
residue 209
type
ligand
sequence S
description BINDING SITE FOR RESIDUE GTD A 222
source : AC7

26) chain A
residue 105
type
ligand
sequence D
description BINDING SITE FOR RESIDUE GTD B 220
source : AC8

27) chain A
residue 115
type BINDING
ligand
sequence Y
description Substrate. {ECO:0000250}.
source Swiss-Prot : SWS_FT_FI1

28) chain A
residue 49
type BINDING
ligand
sequence K
description Glutathione. {ECO:0000269|PubMed:8664265, ECO:0000305|PubMed:8110735}.
source Swiss-Prot : SWS_FT_FI2

29) chain A
residue 6-7
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence YW
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

30) chain A
residue 9
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence V
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

31) chain A
residue 11-12
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence GL
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

32) chain A
residue 42
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence R
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

33) chain A
residue 45-46
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence WL
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

34) chain A
residue 49
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence K
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

35) chain A
residue 57-60
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence PNLP
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

36) chain A
residue 71-73
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence QSN
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

37) chain A
residue 104
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence M
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

38) chain A
residue 107-108
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence RM
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

39) chain A
residue 111
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence I
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

40) chain A
residue 115
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence Y
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

41) chain A
residue 165
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence Q
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

42) chain A
residue 207-209
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence IFS
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_A_222

43) chain A
residue 101
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence N
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_B_220

44) chain A
residue 105
type binding
ligand GTD: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
sequence D
description 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE binding site
source pdb_hetatom : GTD_4gst_B_220

45) chain A
residue 6
type catalytic
ligand
sequence Y
description Annotated By Reference To The Literature 1oe8
source CSA : CSA1


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