POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.


DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD Seq.
Identity (%)
View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
1axn ANNEXIN III
(Homo
sapiens)
4 / 8GLN A 125
ALA A 132
GLN A 131
SER A 130
None
1.18A20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
1kpb HUMAN PROTEIN KINASE
C INTERACTING
PROTEIN 1 (ZINC
PROTEIN)
(Homo
sapiens)
5 / 8GLN A  47
ASN A  99
GLN A 106
HIS A 112
HIS A 114
None
0.28A55.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
1kpb HUMAN PROTEIN KINASE
C INTERACTING
PROTEIN 1 (ZINC
PROTEIN)
(Homo
sapiens)
5 / 8GLN A  47
ASN A  99
GLN A 106
SER A 107
HIS A 114
None
0.63A55.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
3q5e ATLASTIN-1
(Homo
sapiens)
4 / 8GLN A 337
ALA A 350
GLN A 349
SER A 346
None
1.05A14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
(Homo
sapiens)
4 / 8ASN A2272
ALA A2271
GLN A2273
HIS A2114
None
1.03A11.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
4ini HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL
(Homo
sapiens)
6 / 8GLN A  84
ASN A 136
ALA A 142
GLN A 143
SER A 144
HIS A 151
1PE  A 202 ( 4.2A)
AMP  A 201 (-3.8A)
1PE  A 202 ( 4.0A)
None
AMP  A 201 ( 2.6A)
AMP  A 201 (-4.1A)
0.25A91.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
4njz HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL
(Homo
sapiens)
6 / 8GLN A  84
ASN A 136
ALA A 142
GLN A 143
HIS A 149
HIS A 151
None
None
None
None
None
SO4  A 201 (-4.8A)
0.25A85.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
4njz HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL
(Homo
sapiens)
6 / 8GLN A  84
ASN A 136
ALA A 142
GLN A 143
SER A 144
HIS A 151
None
None
None
None
SO4  A 201 (-2.8A)
SO4  A 201 (-4.8A)
0.51A85.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
4nre ARACHIDONATE
15-LIPOXYGENASE B
(Homo
sapiens)
4 / 8ALA A 558
SER A 611
HIS A 373
HIS A 368
GOL  A 718 (-3.2A)
None
C8E  A 702 ( 3.5A)
None
1.14A13.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
4pri TK3 TCR BETA CHAIN
(Homo
sapiens)
4 / 8GLN E   6
ALA E  78
GLN E  79
HIS E  86
None
1.14A19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
4u7m LEUCINE-RICH REPEATS
AND
IMMUNOGLOBULIN-LIKE
DOMAINS PROTEIN 1
(Homo
sapiens)
4 / 8ALA A 519
SER A 517
HIS A 547
HIS A 549
None
1.07A18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1
(Homo
sapiens)
4 / 8ASN A2272
ALA A2271
GLN A2273
HIS A2114
None
1.05A15.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
5km5 HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL
(Homo
sapiens)
6 / 8GLN A  84
ASN A 136
ALA A 142
GLN A 143
SER A 144
HIS A 151
None
CL  A 201 (-4.3A)
None
None
CL  A 201 (-3.5A)
CL  A 201 (-4.5A)
0.53A100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
5mue ALPHA-TOCOPHEROL
TRANSFER PROTEIN
(Homo
sapiens)
4 / 8TRP A 163
ALA A 168
GLN A 170
SER A 166
None
1.05A21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
5w4x UDP-GLUCOSE
6-DEHYDROGENASE
(Homo
sapiens)
4 / 8GLN A 278
ALA A 228
GLN A 229
SER A 232
None
1.08A16.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM8_B_L8PB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)
5zcs TARGET OF RAPAMYCIN
COMPLEX SUBUNIT LST8
(Homo
sapiens)
4 / 8GLN C  63
GLN C  41
HIS C  40
HIS C  64
None
1.05A15.44