SIMILAR PATTERNS OF AMINO ACIDS FOR 1KI2_B_GA2B2

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.
1j2b ARCHAEOSINE
TRNA-GUANINE
TRANSGLYCOSYLASE

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF01702
(TGT)
PF14809
(TGT_C1)
PF14810
(TGT_C2) 		5 GLU A 397
ILE A 437
ARG A 409
TYR A 439
GLU A 434
 None
 1.20A 1ki2B-1j2bA:
0.0		 1ki2B-1j2bA:
20.69
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) 		7 GLU A  48
TRP A  53
ILE A  65
TYR A  66
GLN A  90
ARG A 130
ARG A 143
 BVP  A 500 (-2.5A)
BVP  A 500 (-4.6A)
BVP  A 500 ( 4.2A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.0A)
BVP  A 500 (-2.8A)
None
 0.81A 1ki2B-1osnA:
34.9		 1ki2B-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) 		5 GLU A  60
TRP A  65
ILE A  77
ARG A 139
ARG A 152
 T5A  A 501 (-2.5A)
None
T5A  A 501 ( 4.7A)
T5A  A 501 (-3.7A)
T5A  A 501 (-4.2A)
 0.88A 1ki2B-1p75A:
37.5		 1ki2B-1p75A:
38.74
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) 		5 GLU A  60
TRP A  65
ILE A  77
GLN A 102
ARG A 139
 T5A  A 501 (-2.5A)
None
T5A  A 501 ( 4.7A)
T5A  A 501 (-3.1A)
T5A  A 501 (-3.7A)
 0.95A 1ki2B-1p75A:
37.5		 1ki2B-1p75A:
38.74
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) 		5 GLU A  60
TRP A  65
ILE A  77
TYR A  78
ARG A 152
 T5A  A 501 (-2.5A)
None
T5A  A 501 ( 4.7A)
T5A  A 501 (-4.6A)
T5A  A 501 (-4.2A)
 1.03A 1ki2B-1p75A:
37.5		 1ki2B-1p75A:
38.74
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) 		5 GLU A  60
TRP A  65
ILE A  77
TYR A  78
GLN A 102
 T5A  A 501 (-2.5A)
None
T5A  A 501 ( 4.7A)
T5A  A 501 (-4.6A)
T5A  A 501 (-3.1A)
 0.97A 1ki2B-1p75A:
37.5		 1ki2B-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) 		12 HIS A  58
GLU A  83
TRP A  88
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 (-2.7A)
None
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)
 0.69A 1ki2B-1vtkA:
48.2		 1ki2B-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)
 1.41A 1ki2B-1vtkA:
48.2		 1ki2B-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 1ki2B-2jaqA:
16.4		 1ki2B-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.
3mw8 UROPORPHYRINOGEN-III
SYNTHASE

(Shewanella
amazonensis) 		PF02602
(HEM4) 		5 ILE A  54
TYR A  78
MET A 134
ARG A 141
GLU A  96
 None
 1.46A 1ki2B-3mw8A:
1.4		 1ki2B-3mw8A:
26.55
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
 1.42A 1ki2B-3uxmA:
10.3		 1ki2B-3uxmA:
25.89
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN5

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		5 GLU P 367
ILE P 353
TYR P 357
ARG P 310
ARG P 364
 None
 1.21A 1ki2B-5mpdP:
0.0		 1ki2B-5mpdP:
21.01