SIMILAR PATTERNS OF AMINO ACIDS FOR 2KI5_B_AC2B2_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.
1eth TRIACYLGLYCEROL
ACYL-HYDROLASE

(Sus scrofa) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 HIS A 148
GLU A  98
ILE A 275
ILE A  90
TYR A 271
 None
 1.19A 2ki5B-1ethA:
0.2		 2ki5B-1ethA:
21.37
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) 		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
 0.98A 2ki5B-1osnA:
35.1		 2ki5B-1osnA:
29.79
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) 		7 TRP A  53
ILE A  62
ILE A  65
TYR A  66
GLN A  90
ARG A 130
ARG A 143
 BVP  A 500 (-4.6A)
BVP  A 500 (-4.5A)
BVP  A 500 ( 4.2A)
BVP  A 500 (-4.9A)
BVP  A 500 (-3.0A)
BVP  A 500 (-2.8A)
None
 0.60A 2ki5B-1osnA:
35.1		 2ki5B-1osnA:
29.79
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
GLN A 102
ARG A 139
ARG A 152
 T5A  A 501 (-2.5A)
None
T5A  A 501 (-3.1A)
T5A  A 501 (-3.7A)
T5A  A 501 (-4.2A)
 1.00A 2ki5B-1p75A:
37.5		 2ki5B-1p75A:
35.60
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) 		7 GLU A  60
TRP A  65
ILE A  74
ILE A  77
TYR A  78
GLN A 102
ARG A 152
 T5A  A 501 (-2.5A)
None
T5A  A 501 ( 4.4A)
T5A  A 501 ( 4.7A)
T5A  A 501 (-4.6A)
T5A  A 501 (-3.1A)
T5A  A 501 (-4.2A)
 1.18A 2ki5B-1p75A:
37.5		 2ki5B-1p75A:
35.60
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) 		11 HIS A  58
GLU A  83
TRP A  88
ILE A  97
ILE A 100
TYR A 101
MET A 128
ARG A 163
TYR A 172
ARG A 176
ARG A 222
 TMP  A 500 (-3.8A)
TMP  A 500 (-2.7A)
None
TMP  A 500 ( 4.5A)
TMP  A 500 ( 4.1A)
TMP  A 500 (-4.5A)
TMP  A 500 ( 4.6A)
TMP  A 500 (-3.3A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.2A)
 0.73A 2ki5B-1vtkA:
48.2		 2ki5B-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)
 1.43A 2ki5B-1vtkA:
48.2		 2ki5B-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) 		11 HIS A  58
TRP A  88
ILE A  97
ILE A 100
TYR A 101
GLN A 125
MET A 128
ARG A 163
TYR A 172
ARG A 176
ARG A 222
 TMP  A 500 (-3.8A)
None
TMP  A 500 ( 4.5A)
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)
 0.54A 2ki5B-1vtkA:
48.2		 2ki5B-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.
3c3v ARACHIN ARAH3
ISOFORM

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		5 HIS A 202
GLU A 294
ILE A  46
ILE A  53
ARG A  81
 None
 1.29A 2ki5B-3c3vA:
0.0		 2ki5B-3c3vA:
21.77
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.
3g0m CYSTEINE
DESULFURATION
PROTEIN SUFE

(Salmonella
enterica) 		PF02657
(SufE) 		5 ILE A  77
ILE A  28
TYR A  24
GLN A  32
ARG A 119
 EDO  A 202 (-3.9A)
None
None
None
EDO  A 202 (-4.2A)
 1.41A 2ki5B-3g0mA:
0.0		 2ki5B-3g0mA:
16.67
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.
3moi PROBABLE
DEHYDROGENASE

(Bordetella
bronchiseptica) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 HIS A 126
GLU A  94
ILE A  92
ILE A 345
MET A  18
 None
 1.40A 2ki5B-3moiA:
0.0		 2ki5B-3moiA:
22.46
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.
3omv RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLU A 540
ILE A 474
ILE A 484
MET A 469
TYR A 534
 None
 1.35A 2ki5B-3omvA:
0.0		 2ki5B-3omvA:
21.54
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
 1.47A 2ki5B-3uxmA:
10.7		 2ki5B-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.
4yco TRNA-DIHYDROURIDINE
SYNTHASE C

(Escherichia
coli) 		PF01207
(Dus) 		5 GLU A 164
ILE A  30
MET A 222
ARG A   2
ARG A  66
 None
None
FMN  A 401 ( 4.8A)
None
None
 1.22A 2ki5B-4ycoA:
undetectable		 2ki5B-4ycoA:
24.43
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.
5aga DNA POLYMERASE THETA

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 GLU A 491
ILE A 458
ILE A 495
ARG A 311
ARG A 456
 None
 1.33A 2ki5B-5agaA:
undetectable		 2ki5B-5agaA:
19.14
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
 1.11A 2ki5B-5mpdP:
undetectable		 2ki5B-5mpdP:
20.55