Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T72405 Target Info
Target Name Glutaredoxin-1 (GLRX)
Synonyms Thioltransferase-1; TTase-1; GRX
Target Type Literature-reported Target
Gene Name GLRX
UniProt ID
GLRX1_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: Glutathione Ligand Info
Structure Description Solution structure of human thioltransferase complex with glutathione PDB:1B4Q
Method Solution NMR Resolution N.A. Mutation Yes [1]
PDB Sequence
AQEFVNSKIQ
10
PGKVVVFIKP
20
TCPYSRRAQE
30
ILSQLPIKQG
40
LLEFVDITAT
50

NHTNEIQDYL
60
QQLTGARTVP
70
RVFIGKDSIG
80
GSSDLVSLQQ
90
SGELLTRLKQ
100

IGALQ
Residue
Distance (Å)
LYS19
3.171
CYS22
2.016
PRO23
4.427
TYR24
2.298
SER25
4.716
GLN57
3.589
ARG67
2.413
THR68
2.232
Residue
Distance (Å)
VAL69
1.736
PRO70
2.629
ARG71
4.491
GLY81
2.588
SER82
2.430
SER83
2.168
ASP84
3.258
Ligand Name: 2-Mercaptoethanesulfonic acid Ligand Info
Structure Description Crystal Structure of Human Glutaredoxin with MESNA PDB:4RQR
Method X-ray diffraction Resolution 1.08 Å Mutation No [2]
PDB Sequence
GTAQEFVNCK
8
IQPGKVVVFI
18
KPTCPYCRRA
28
QEILSQLPIK
38
QGLLEFVDIT
48

ATNHTNEIQD
58
YLQQLTGART
68
VPRVFIGKDC
78
IGGCSDLVSL
88
QQSGELLTRL
98

KQIGALQ
Residue
Distance (Å)
GLU3
4.982
CYS7
2.026
TYR24
3.699
ARG27
4.105
Residue
Distance (Å)
CYS82
2.021
SER83
2.593
VAL86
3.387
References  Top
REF 1 Reactivity of the human thioltransferase (glutaredoxin) C7S, C25S, C78S, C82S mutant and NMR solution structure of its glutathionyl mixed disulfide intermediate reflect catalytic specificity. Biochemistry. 1998 Dec 8;37(49):17145-56.
REF 2 Cysteine specific targeting of the functionally distinct peroxiredoxin and glutaredoxin proteins by the investigational disulfide BNP7787. Molecules. 2015 Mar 18;20(3):4928-50.

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