SIMILAR PATTERNS OF AMINO ACIDS FOR 3HP1_A_LLTA401_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score 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.
1ijx SECRETED
FRIZZLED-RELATED
SEQUENCE PROTEIN 3

(Mus musculus) 		PF01392
(Fz) 		5 MET A  37
TYR A  60
PHE A  40
ALA A  83
PHE A  55
 None
 1.27A 3hp1A-1ijxA:
undetectable		 3hp1A-1ijxA:
17.97
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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 GLU A  48
TRP A  53
TYR A  66
ALA A 134
PHE A 139
 BVP  A 500 (-2.5A)
BVP  A 500 (-4.6A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.9A)
BVP  A 500 (-3.7A)
 1.33A 3hp1A-1osnA:
16.0		 3hp1A-1osnA:
23.73
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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 TRP A  53
TYR A  66
GLN A  90
ALA A 134
PHE A 139
 BVP  A 500 (-4.6A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.0A)
BVP  A 500 (-3.9A)
BVP  A 500 (-3.7A)
 1.31A 3hp1A-1osnA:
16.0		 3hp1A-1osnA:
23.73
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 GLU A  83
TRP A  88
TYR A 101
ALA A 167
GLU A 225
 TMP  A 500 (-2.7A)
None
TMP  A 500 (-4.5A)
TMP  A 500 ( 4.2A)
TMP  A 500 (-3.5A)
 1.05A 3hp1A-1vtkA:
16.7		 3hp1A-1vtkA:
19.57
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.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 TRP A  88
TYR A 101
GLN A 125
ALA A 167
GLU A 225
 None
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 ( 4.2A)
TMP  A 500 (-3.5A)
 1.22A 3hp1A-1vtkA:
16.7		 3hp1A-1vtkA:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		9 GLU A  53
TRP A  58
MET A  85
TYR A  86
PHE A  96
GLN A  97
ARG A 128
PHE A 137
GLU A 197
 DCZ  A 302 (-3.0A)
None
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
DCZ  A 302 (-3.5A)
 0.60A 3hp1A-2a30A:
36.3		 3hp1A-2a30A:
93.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		9 GLU A  53
VAL A  55
TRP A  58
MET A  85
TYR A  86
PHE A  96
GLN A  97
ARG A 128
PHE A 137
 DCZ  A 302 (-3.0A)
None
None
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
 0.70A 3hp1A-2a30A:
36.3		 3hp1A-2a30A:
93.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		5 TRP A  58
MET A  85
TYR A  86
PHE A  96
GLU A 196
 None
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-4.6A)
DCZ  A 302 (-4.6A)
None
 1.48A 3hp1A-2a30A:
36.3		 3hp1A-2a30A:
93.16
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.
2jaq DEOXYGUANOSINE
KINASE

(Mycoplasma
mycoides) 		PF01712
(dNK) 		6 VAL A  33
TYR A  43
GLN A  54
ARG A  78
PHE A  86
GLU A 150
 DCP  A1202 (-4.6A)
None
DCP  A1202 (-2.9A)
DCP  A1202 (-2.8A)
DCP  A1202 (-3.6A)
DCP  A1202 (-3.5A)
 0.75A 3hp1A-2jaqA:
22.9		 3hp1A-2jaqA:
24.83
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		8 TRP A  57
MET A  69
TYR A  70
PHE A  80
MET A  88
ARG A 105
ALA A 110
PHE A 114
 None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
None
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
 1.07A 3hp1A-2jcsA:
26.4		 3hp1A-2jcsA:
29.93
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		8 TRP A  57
TYR A  70
PHE A  80
GLN A  81
MET A  88
ARG A 105
ALA A 110
PHE A 114
 None
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
None
TTP  A1210 (-3.7A)
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
 1.04A 3hp1A-2jcsA:
26.4		 3hp1A-2jcsA:
29.93
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		5 VAL A  54
TRP A  57
MET A  69
PHE A  80
GLU A 171
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
None
 1.27A 3hp1A-2jcsA:
26.4		 3hp1A-2jcsA:
29.93
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		9 VAL A  54
TRP A  57
MET A  69
TYR A  70
PHE A  80
MET A  88
ALA A 110
PHE A 114
GLU A 172
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
None
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.86A 3hp1A-2jcsA:
26.4		 3hp1A-2jcsA:
29.93
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		9 VAL A  54
TRP A  57
TYR A  70
PHE A  80
GLN A  81
MET A  88
ALA A 110
PHE A 114
GLU A 172
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
None
TTP  A1210 (-3.4A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
 0.85A 3hp1A-2jcsA:
26.4		 3hp1A-2jcsA:
29.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		6 GLU A  70
VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
 None
DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.21A 3hp1A-2ocpA:
33.1		 3hp1A-2ocpA:
43.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		7 VAL A  72
TRP A  75
MET A  99
PHE A 110
GLN A 111
ARG A 142
PHE A 151
 DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
 0.94A 3hp1A-2ocpA:
33.1		 3hp1A-2ocpA:
43.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		8 VAL A  72
TRP A  75
MET A  99
TYR A 100
PHE A 110
ARG A 142
PHE A 151
GLU A 211
 DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
 0.80A 3hp1A-2ocpA:
33.1		 3hp1A-2ocpA:
43.62
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.
2x8u SERINE
PALMITOYLTRANSFERASE

(Sphingomonas
wittichii) 		PF00155
(Aminotran_1_2) 		5 PHE A 102
MET A  56
ARG A 299
ALA A 295
GLU A 228
 None
 1.24A 3hp1A-2x8uA:
0.0		 3hp1A-2x8uA:
19.81
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.
3f8h PUTATIVE POLYKETIDE
CYCLASE

(Ruegeria sp.
TM1040) 		PF12680
(SnoaL_2) 		5 VAL A  28
MET A  20
TYR A   8
ALA A  46
PHE A  47
 None
MRD  A 135 ( 3.9A)
None
None
None
 1.34A 3hp1A-3f8hA:
0.0		 3hp1A-3f8hA:
22.63
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.
3ke5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Bacillus cereus) 		PF01923
(Cob_adeno_trans) 		5 GLU A 102
TYR A 158
ARG A 169
ALA A 168
GLU A  58
 None
 1.25A 3hp1A-3ke5A:
undetectable		 3hp1A-3ke5A:
27.72
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.
4unr THYMIDYLATE KINASE

(Mycobacterium
tuberculosis) 		PF02223
(Thymidylate_kin) 		5 GLU A 124
VAL A 120
TYR A 179
GLN A 136
ARG A  74
 None
None
None
None
QZE  A1211 (-2.7A)
 1.32A 3hp1A-4unrA:
12.7		 3hp1A-4unrA:
19.08
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.
5xfm ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 GLU A 147
VAL A 239
PHE A 129
MET A  62
GLU A 216
 None
 1.42A 3hp1A-5xfmA:
undetectable		 3hp1A-5xfmA:
16.86