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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		1e8b FIBRONECTIN
(Homo
sapiens)		4 / 5TYR A 122
GLY A 134
TYR A 148
GLY A 109
None
0.85A19.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		1mt6 SET9
(Homo
sapiens)		5 / 5TYR A 245
GLY A 264
TYR A 305
TYR A 335
GLY A 336
None
SAH  A   1 ( 4.1A)
None
SAH  A   1 (-4.4A)
None
0.94A77.36
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		1x4b HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEINS
A2/B1
(Homo
sapiens)		4 / 5TYR A  48
GLY A  33
TYR A  47
GLY A  95
None
0.93A21.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7
(Homo
sapiens)		5 / 5TYR A 245
GLY A 264
TYR A 305
TYR A 335
GLY A 336
None
SAH  A   1 (-4.0A)
None
SAH  A   1 (-4.9A)
None
0.42A94.92
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		3tpu 42F3 ALPHA
42F3 BETA
(Homo
sapiens;
Mus
musculus)		4 / 5TYR B  50
GLY A  96
TYR B  31
GLY B  98
None
0.74A20.36
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		4bhi GAMMA-BUTYROBETAINE
DIOXYGENASE
(Homo
sapiens)		4 / 5GLY A 263
TYR A 205
TYR A 177
GLY A 178
None
RUJ  A 401 (-4.1A)
RUJ  A 401 (-3.8A)
None
0.94A17.82
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3
(Homo
sapiens)		4 / 5TYR B 318
GLY B 221
TYR A 353
GLY A 354
None
0.69A17.47
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		4wgk NEUTRAL CERAMIDASE
(Homo
sapiens)		4 / 5TYR A 579
GLY A 122
TYR A 591
GLY A 465
 ZN  A 801 ( 4.3A)
PO4  A 810 (-4.4A)
PO4  A 810 (-4.4A)
None
1.06A16.16
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1
(Homo
sapiens)		4 / 5TYR A 331
GLY A 124
TYR A 173
GLY A 172
None
1.00A17.78
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		5grh ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT GAMMA,
MITOCHONDRIAL
(Homo
sapiens)		4 / 5GLY B 257
TYR B 164
TYR B 260
GLY B 261
None
1.02A22.59
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		5ho4 HETEROGENEOUS
NUCLEAR
RIBONUCLEOPROTEINS
A2/B1
(Homo
sapiens)		4 / 5TYR A  41
GLY A  26
TYR A  40
GLY A  88
None
A  B   1 ( 3.6A)
None
None
0.92A18.94
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL
(Homo
sapiens)		4 / 5TYR A 312
GLY A 398
TYR A 299
GLY A  94
None
FAD  A 901 (-4.4A)
None
FAD  A 901 ( 4.4A)
0.97A15.20
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9
(Homo
sapiens)		4 / 5TYR A  48
GLY A 100
TYR A  54
GLY A 105
None
1.07A21.51
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		5uiw C-C CHEMOKINE
RECEPTOR TYPE
5,RUBREDOXIN CHIMERA
C-C MOTIF CHEMOKINE
5
(Clostridium
pasteurianum;
Homo
sapiens)		4 / 5TYR A 251
GLY B   1
TYR A 108
GLY A 111
None
PCA  B   0 ( 2.4A)
None
None
0.94A19.18
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		5vgz 26S PROTEASOME
REGULATORY SUBUNIT 8
(Homo
sapiens)		4 / 5GLY C  70
TYR C 121
TYR C  72
GLY C  74
None
0.94A16.35
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A
(Homo
sapiens)		4 / 5TYR A 660
GLY A 642
TYR A 683
GLY A 685
None
SAH  A1001 (-3.4A)
None
None
1.02A18.38
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		6cbp DH270.6 SINGLE CHAIN
VARIABLE FRAGMENT
MAN9-V3 GLYCOPEPTIDE
(Homo
sapiens;
Human
immunodeficiency
virus
1)		4 / 5TYR A  33
GLY P 324
TYR A 110
GLY A 236
None
None
NAG  P 401 (-4.0A)
None
1.05A13.92
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		6fm9 UDP-N-ACETYLGLUCOSAM
INE--DOLICHYL-PHOSPH
ATE
N-ACETYLGLUCOSAMINEP
HOSPHOTRANSFERASE
(Homo
sapiens)		4 / 5TYR A 172
GLY A 266
TYR A 169
GLY A 145
None
1.01Aundetectable