SIMILAR PATTERNS OF AMINO ACIDS FOR 1KI2_A_GA2A1_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1osn THYMIDINE KINASE

(Human
alphaherpesvirus
3) 		PF00693
(Herpes_TK) 		6 GLU A  48
ILE A  65
TYR A  66
GLN A  90
ARG A 130
ARG A 143
 BVP  A 500 (-2.5A)
BVP  A 500 ( 4.2A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.0A)
BVP  A 500 (-2.8A)
None
 0.88A 1ki2A-1osnA:
34.7		 1ki2A-1osnA:
31.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1p75 THYMIDINE KINASE

(Equid
alphaherpesvirus
4) 		PF00693
(Herpes_TK) 		6 GLU A  60
ILE A  77
TYR A  78
GLN A 102
ARG A 139
ARG A 152
 T5A  A 501 (-2.5A)
T5A  A 501 ( 4.7A)
T5A  A 501 (-4.6A)
T5A  A 501 (-3.1A)
T5A  A 501 (-3.7A)
T5A  A 501 (-4.2A)
 1.14A 1ki2A-1p75A:
37.0		 1ki2A-1p75A:
38.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		10 HIS A  58
GLU A  83
ILE A 100
TYR A 101
GLN A 125
MET A 128
ARG A 163
TYR A 172
ARG A 176
GLU A 225
 TMP  A 500 (-3.8A)
TMP  A 500 (-2.7A)
TMP  A 500 ( 4.1A)
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 ( 4.6A)
TMP  A 500 (-3.3A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.5A)
 0.68A 1ki2A-1vtkA:
47.4		 1ki2A-1vtkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		5 HIS A  58
ILE A  97
TYR A 101
MET A  85
ARG A 163
 TMP  A 500 (-3.8A)
TMP  A 500 ( 4.5A)
TMP  A 500 (-4.5A)
None
TMP  A 500 (-3.3A)
 1.45A 1ki2A-1vtkA:
47.4		 1ki2A-1vtkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vtk THYMIDINE KINASE

(Human
alphaherpesvirus
1) 		PF00693
(Herpes_TK) 		10 HIS A  58
ILE A 100
TYR A 101
GLN A 125
MET A 128
ARG A 163
TYR A 172
ARG A 176
ARG A 222
GLU A 225
 TMP  A 500 (-3.8A)
TMP  A 500 ( 4.1A)
TMP  A 500 (-4.5A)
TMP  A 500 (-3.0A)
TMP  A 500 ( 4.6A)
TMP  A 500 (-3.3A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.2A)
TMP  A 500 (-3.5A)
 0.60A 1ki2A-1vtkA:
47.4		 1ki2A-1vtkA:
100.00
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.
2jaq DEOXYGUANOSINE
KINASE

(Mycoplasma
mycoides) 		PF01712
(dNK) 		5 TYR A  43
GLN A  54
MET A  57
ARG A  78
GLU A 150
 None
DCP  A1202 (-2.9A)
DCP  A1202 ( 4.2A)
DCP  A1202 (-2.8A)
DCP  A1202 (-3.5A)
 1.01A 1ki2A-2jaqA:
15.7		 1ki2A-2jaqA:
21.28
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.
2ys6 PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE

(Geobacillus
kaustophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 HIS A 213
GLU A 191
ILE A 417
TYR A 231
ARG A 415
 None
 1.47A 1ki2A-2ys6A:
0.0		 1ki2A-2ys6A:
22.54
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.
3uxm THYMIDYLATE KINASE

(Pseudomonas
aeruginosa) 		PF02223
(Thymidylate_kin) 		5 GLN A 105
MET A  70
ARG A  96
TYR A 104
ARG A 109
 0DN  A 800 (-3.0A)
0DN  A 800 (-3.3A)
0DN  A 800 (-4.6A)
0DN  A 800 (-3.7A)
None
 1.40A 1ki2A-3uxmA:
9.8		 1ki2A-3uxmA:
25.89