SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZI9_B_CL9B401_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.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		5 GLU A  48
TRP A  53
TYR A  66
GLN A  90
PHE A 139
 BVP  A 500 (-2.5A)
BVP  A 500 (-4.6A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.0A)
BVP  A 500 (-3.7A)
 1.02A 2zi9B-1osnA:
15.7		 2zi9B-1osnA:
22.13
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
TYR A  78
GLN A 102
PHE A 148
 T5A  A 501 (-2.5A)
None
T5A  A 501 (-4.6A)
T5A  A 501 (-3.1A)
T5A  A 501 (-3.5A)
 1.10A 2zi9B-1p75A:
15.8		 2zi9B-1p75A:
23.65
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
GLN A 125
ARG A 220
GLU A 225
 TMP  A 500 (-2.7A)
None
TMP  A 500 (-3.0A)
TMP  A 500 (-3.4A)
TMP  A 500 (-3.5A)
 1.27A 2zi9B-1vtkA:
16.5		 2zi9B-1vtkA:
20.16
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.
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)
 1.02A 2zi9B-1vtkA:
16.5		 2zi9B-1vtkA:
20.16
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) 		12 ILE A  30
GLU A  53
TRP A  58
MET A  85
TYR A  86
PHE A  96
GLN A  97
ARG A 104
PHE A 137
ARG A 192
GLU A 197
TYR A 204
 DCZ  A 302 ( 4.3A)
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)
None
DCZ  A 302 (-3.8A)
DCZ  A 302 ( 4.9A)
DCZ  A 302 (-3.5A)
None
 0.53A 2zi9B-2a30A:
35.6		 2zi9B-2a30A:
92.40
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) 		7 TYR A  43
GLN A  54
ARG A  61
PHE A  86
ARG A 145
GLU A 150
TYR A 157
 None
DCP  A1202 (-2.9A)
None
DCP  A1202 (-3.6A)
DCP  A1202 (-2.8A)
DCP  A1202 (-3.5A)
None
 0.64A 2zi9B-2jaqA:
22.7		 2zi9B-2jaqA:
24.91
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 ILE A  29
TRP A  57
MET A  69
TYR A  70
PHE A  80
PHE A 114
ARG A 167
GLU A 172
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.8A)
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.6A)
None
 0.73A 2zi9B-2jcsA:
25.9		 2zi9B-2jcsA:
29.33
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 ILE A  29
TRP A  57
TYR A  70
PHE A  80
GLN A  81
PHE A 114
ARG A 167
GLU A 172
TYR A 179
 TTP  A1210 (-3.9A)
None
TTP  A1210 (-4.6A)
TTP  A1210 (-4.2A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.5A)
TTP  A1210 (-3.0A)
TTP  A1210 (-3.6A)
None
 0.65A 2zi9B-2jcsA:
25.9		 2zi9B-2jcsA:
29.33
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) 		5 GLU A  70
TRP A  75
MET A  99
PHE A 110
GLN A 111
 None
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
 1.16A 2zi9B-2ocpA:
31.8		 2zi9B-2ocpA:
44.48
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) 		5 ILE A  47
TRP A  75
ARG A 118
ARG A 206
GLU A 211
 DTP  A 301 (-3.8A)
None
DTP  A 301 (-3.1A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.5A)
 0.95A 2zi9B-2ocpA:
31.8		 2zi9B-2ocpA:
44.48
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 ILE A  47
TRP A  75
MET A  99
TYR A 100
PHE A 110
GLN A 111
PHE A 151
ARG A 206
GLU A 211
TYR A 218
 DTP  A 301 (-3.8A)
None
DTP  A 301 ( 3.9A)
DTP  A 301 (-4.5A)
DTP  A 301 (-4.2A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.3A)
DTP  A 301 (-3.1A)
DTP  A 301 (-3.5A)
None
 0.75A 2zi9B-2ocpA:
31.8		 2zi9B-2ocpA:
44.48
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.
3cmn PUTATIVE HYDROLASE

(Chloroflexus
aurantiacus) 		PF10103
(Zincin_2) 		5 ILE A 189
MET A  77
TYR A  74
PHE A 203
GLU A 186
 None
 1.43A 2zi9B-3cmnA:
0.0		 2zi9B-3cmnA:
22.51
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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 ILE A 448
TYR A 132
ARG A 482
ARG A 149
GLU A 153
 None
 1.24A 2zi9B-4xwhA:
0.0		 2zi9B-4xwhA:
15.59
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 5 ILE A 492
GLU A 537
TYR A 613
PHE A 600
ARG A 445
 None
GOL  A 701 (-4.5A)
None
None
None
 1.23A 2zi9B-5no8A:
undetectable		 2zi9B-5no8A:
18.44
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 ILE O  31
GLU O  53
TYR O  83
ARG O 104
GLU O 191
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
ADP  O 401 (-4.9A)
ADP  O 401 (-4.5A)
ADP  O 401 (-3.2A)
 1.14A 2zi9B-6g2jO:
undetectable		 2zi9B-6g2jO:
15.05
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.
6g2j NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
10, MITOCHONDRIAL

(Mus musculus) 		no annotation 7 ILE O  31
GLU O  53
TYR O  83
GLN O  97
PHE O 134
GLU O 191
TYR O 198
 ADP  O 401 (-4.0A)
ADP  O 401 ( 4.7A)
ADP  O 401 (-4.9A)
ADP  O 401 (-3.5A)
ADP  O 401 (-3.6A)
ADP  O 401 (-3.2A)
None
 1.09A 2zi9B-6g2jO:
undetectable		 2zi9B-6g2jO:
15.05