Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T02484 Target Info
Target Name Pyridine nucleotide transhydrogenase (NNT)
Synonyms Nicotinamide nucleotide transhydrogenase; NAD(P) transhydrogenase, mitochondrial
Target Type Literature-reported Target
Gene Name NNT
UniProt ID
NNTM_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: NADP+ Ligand Info
Structure Description THE CRYSTAL STRUCTURE OF HUMAN TRANSHYDROGENASE DOMAIN III WITH BOUND NADP PDB:1DJL
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
PMEISGTHTE
868
INLDNAIDMI
878
REANSIIITP
888
GYGLCAAKAQ
898
YPIADLVKML
908

TEQGKKVRFG
918
IHPVAGRMPG
928
QLNVLLAEAG
938
VPYDIVLEMD
948
EINHDFPDTD
958

LVLVIGANDT
968
VNSAAQEDPN
978
SIIAGMPVLE
988
VWKSKQVIVM
998
KRSLGVGYAA
1008

VDNPIFYKPN
1018
TAMLLGDAKK
1028
TCDALQAKVR
1038
ES
Residue
Distance (Å)
GLY889
3.170
TYR890
2.685
GLY891
3.401
ALA894
4.122
ALA895
3.580
PRO921
4.462
VAL922
2.855
ALA923
3.007
GLY924
3.106
ARG925
2.969
MET926
2.932
PRO927
2.932
GLY964
3.317
ALA965
3.455
ASN966
2.902
Residue
Distance (Å)
ASP967
2.672
THR968
2.672
MET998
4.255
LYS999
2.813
ARG1000
2.727
SER1001
2.744
LEU1002
4.352
GLY1003
3.775
VAL1004
2.903
GLY1005
3.460
TYR1006
3.218
ALA1007
4.226
GLY1024
3.752
ASP1025
2.963
ALA1026
2.744
Ligand Name: NADPH Ligand Info
Structure Description recombinant human heart transhydrogenase dIII bound with NADPH PDB:1U31
Method X-ray diffraction Resolution 2.20 Å Mutation No [2]
PDB Sequence
PMEISGTHTE
32
INLDNAIDMI
42
REANSIIITP
52
GYGLCAAKAQ
62
YPIADLVKML
72

TEQGKKVRFG
82
IHPVAGRMPG
92
QLNVLLAEAG
102
VPYDIVLEMD
112
EINHDFPDTD
122

LVLVIGANDT
132
VNSAAQEDPN
142
SIIAGMPVLE
152
VWKSKQVIVM
162
KRSLGVGYAA
172

VDNPIFYKPN
182
TAMLLGDAKK
192
TCDALQAKVR
202
ES
Residue
Distance (Å)
GLY53
3.717
TYR54
2.764
GLY55
3.339
ALA58
3.990
ALA59
3.514
PRO85
4.857
VAL86
3.046
ALA87
3.240
GLY88
3.228
ARG89
2.885
MET90
3.336
PRO91
3.202
GLY128
3.171
ALA129
3.486
ASN130
3.391
Residue
Distance (Å)
ASP131
2.596
THR132
2.531
MET162
4.293
LYS163
2.842
ARG164
2.756
SER165
2.993
LEU166
4.412
GLY167
3.879
VAL168
3.197
GLY169
2.824
TYR170
2.707
ALA171
4.292
GLY188
3.686
ASP189
2.923
ALA190
2.822
Ligand Name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate Ligand Info
Structure Description Crystal Structure Analysis of the DIII Component of Transhydrogenase with a Thio-Nicotinamide Nucleotide Analogue PDB:1PT9
Method X-ray diffraction Resolution 2.42 Å Mutation No [3]
PDB Sequence
PMEISGTHTE
32
INLDNAIDMI
42
REANSIIITP
52
GYGLCAAKAQ
62
YPIADLVKML
72

TEQGKKVRFG
82
IHPVAGRMPG
92
QLNVLLAEAG
102
VPYDIVLEMD
112
EINHDFPDTD
122

LVLVIGANDT
132
VNSAAQEDPN
142
SIIAGMPVLE
152
VWKSKQVIVM
162
KRSLGVGYAA
172

VDNPIFYKPN
182
TAMLLGDAKK
192
TCDALQAKVR
202
ES
Click to Show 3D Structure of This Binding Site
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Residue
Distance (Å)
GLY53
3.199
TYR54
2.600
GLY55
3.450
ALA58
4.069
ALA59
3.719
PRO85
4.811
VAL86
3.357
ALA87
3.103
GLY88
3.235
ARG89
3.060
MET90
3.202
PRO91
3.510
GLY128
3.374
ALA129
3.508
ASN130
3.022
Residue
Distance (Å)
ASP131
2.725
THR132
2.696
MET162
4.181
LYS163
2.844
ARG164
2.742
SER165
2.786
LEU166
4.300
GLY167
3.727
VAL168
3.068
GLY169
3.438
TYR170
3.137
ALA171
4.298
GLY188
3.713
ASP189
2.933
ALA190
2.727
References  Top
REF 1 The high-resolution structure of the NADP(H)-binding component (dIII) of proton-translocating transhydrogenase from human heart mitochondria. Structure. 2000 Jan 15;8(1):1-12.
REF 2 Active-site conformational changes associated with hydride transfer in proton-translocating transhydrogenase. Biochemistry. 2004 Aug 31;43(34):10952-64.
REF 3 Interactions between transhydrogenase and thio-nicotinamide Analogues of NAD(H) and NADP(H) underline the importance of nucleotide conformational changes in coupling to proton translocation. J Biol Chem. 2003 Aug 29;278(35):33208-16.

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