SIMILAR PATTERNS OF AMINO ACIDS FOR 2A7Q_A_CFBA328_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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 GLU A 486
TYR A 250
ARG A 104
PHE A  99
GLU A 249
 None
None
None
None
CA  A1495 ( 4.2A)
 1.49A 2a7qA-1hcuA:
0.0		 2a7qA-1hcuA:
18.11
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.
1p75 THYMIDINE KINASE

(Equid
alphaherpesvirus
4) 		PF00693
(Herpes_TK) 		5 GLU A  60
TRP A  65
GLN A 102
ARG A 139
PHE A 148
 T5A  A 501 (-2.5A)
None
T5A  A 501 (-3.1A)
T5A  A 501 (-3.7A)
T5A  A 501 (-3.5A)
 1.22A 2a7qA-1p75A:
15.5		 2a7qA-1p75A:
23.03
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
GLN A 125
GLU A 225
 TMP  A 500 (-2.7A)
None
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 (-3.5A)
 1.13A 2a7qA-1vtkA:
16.6		 2a7qA-1vtkA:
20.68
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
TYR A 101
GLN A 125
ARG A 163
GLU A 225
 TMP  A 500 (-2.7A)
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 (-3.3A)
TMP  A 500 (-3.5A)
 1.20A 2a7qA-1vtkA:
16.6		 2a7qA-1vtkA:
20.68
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) 		12 GLU A  53
VAL A  55
TRP A  58
MET A  85
TYR A  86
PHE A  96
GLN A  97
ARG A 104
ARG A 128
PHE A 137
GLU A 197
TYR A 204
 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)
None
DCZ  A 302 (-4.1A)
DCZ  A 302 (-3.8A)
DCZ  A 302 (-3.5A)
None
 0.71A 2a7qA-2a30A:
36.6		 2a7qA-2a30A:
94.30
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 VAL A  55
PHE A  96
GLN A  97
ARG A 128
GLU A 196
 None
DCZ  A 302 (-4.6A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-4.1A)
None
 1.33A 2a7qA-2a30A:
36.6		 2a7qA-2a30A:
94.30
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) 		8 VAL A  33
TYR A  43
GLN A  54
ARG A  61
ARG A  78
PHE A  86
GLU A 150
TYR A 157
 DCP  A1202 (-4.6A)
None
DCP  A1202 (-2.9A)
None
DCP  A1202 (-2.8A)
DCP  A1202 (-3.6A)
DCP  A1202 (-3.5A)
None
 0.84A 2a7qA-2jaqA:
22.6		 2a7qA-2jaqA:
27.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		8 VAL A  54
TRP A  57
MET A  69
PHE A  80
GLN A  81
ARG A 105
PHE A 114
TYR A 179
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.7A)
TTP  A1210 (-3.5A)
None
 0.87A 2a7qA-2jcsA:
26.2		 2a7qA-2jcsA:
31.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		9 VAL A  54
TRP A  57
MET A  69
TYR A  70
PHE A  80
GLN A  81
PHE A 114
GLU A 172
TYR A 179
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.6A)
None
 0.69A 2a7qA-2jcsA:
26.2		 2a7qA-2jcsA:
31.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		5 VAL A  54
TRP A  57
PHE A  80
GLN A  81
GLU A 171
 TTP  A1210 (-4.5A)
None
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
None
 1.33A 2a7qA-2jcsA:
26.2		 2a7qA-2jcsA:
31.32
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)
 1.06A 2a7qA-2ocpA:
33.0		 2a7qA-2ocpA:
46.62
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) 		10 VAL A  72
TRP A  75
MET A  99
TYR A 100
PHE A 110
GLN A 111
ARG A 142
PHE A 151
GLU A 211
TYR A 218
 DTP  A 301 (-4.1A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
None
 0.55A 2a7qA-2ocpA:
33.0		 2a7qA-2ocpA:
46.62
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) 		9 VAL A  72
TRP A  75
TYR A 100
PHE A 110
ARG A 118
ARG A 142
PHE A 151
GLU A 211
TYR A 218
 DTP  A 301 (-4.1A)
None
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.2A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.5A)
None
 0.81A 2a7qA-2ocpA:
33.0		 2a7qA-2ocpA:
46.62
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.
5y3t E3 UBIQUITIN-PROTEIN
LIGASE RNF31
RANBP-TYPE AND
C3HC4-TYPE ZINC
FINGER-CONTAINING
PROTEIN 1
SHARPIN

(Mus musculus) 		no annotation 5 GLU B 561
GLN B 507
ARG B 555
GLU A  10
TYR C 283
 None
 1.48A 2a7qA-5y3tB:
undetectable		 2a7qA-5y3tB:
15.06
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 GLU O  53
TYR O  83
ARG O 126
PHE O 134
TYR O 198
 ADP  O 401 ( 4.7A)
ADP  O 401 (-4.9A)
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.6A)
None
 0.79A 2a7qA-6g2jO:
undetectable		 2a7qA-6g2jO:
14.62
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 GLU O  53
TYR O  83
GLN O  97
PHE O 134
TYR O 198
 ADP  O 401 ( 4.7A)
ADP  O 401 (-4.9A)
ADP  O 401 (-3.5A)
ADP  O 401 (-3.6A)
None
 1.06A 2a7qA-6g2jO:
undetectable		 2a7qA-6g2jO:
14.62
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 TYR O  83
ARG O 126
PHE O 134
GLU O 191
TYR O 198
 ADP  O 401 (-4.9A)
ADP  O 401 ( 4.3A)
ADP  O 401 (-3.6A)
ADP  O 401 (-3.2A)
None
 0.77A 2a7qA-6g2jO:
undetectable		 2a7qA-6g2jO:
14.62
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 5 TYR O  83
GLN O  97
PHE O 134
GLU O 191
TYR O 198
 ADP  O 401 (-4.9A)
ADP  O 401 (-3.5A)
ADP  O 401 (-3.6A)
ADP  O 401 (-3.2A)
None
 0.92A 2a7qA-6g2jO:
undetectable		 2a7qA-6g2jO:
14.62