SIMILAR PATTERNS OF AMINO ACIDS FOR 1KI3_B_PE2B2_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) 		7 GLU A  48
TRP A  53
ILE A  62
ILE A  65
TYR A  66
GLN A  90
ARG A 143
 BVP  A 500 (-2.5A)
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)
None
 0.84A 1ki3B-1osnA:
35.1		 1ki3B-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) 		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)
 1.01A 1ki3B-1p75A:
37.5		 1ki3B-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  97
ILE A 100
TYR A 101
MET A 121
GLN A 125
MET A 128
TYR A 172
ARG A 176
GLU A 225
 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)
None
TMP  A 500 (-3.0A)
TMP  A 500 ( 4.6A)
TMP  A 500 (-3.7A)
None
TMP  A 500 (-3.5A)
 0.55A 1ki3B-1vtkA:
47.7		 1ki3B-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.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		5 HIS A 199
ILE A 182
ILE A  15
TYR A  11
GLU A 197
 None
 1.41A 1ki3B-1y8cA:
0.0		 1ki3B-1y8cA:
17.24
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.
2evv HYPOTHETICAL PROTEIN
HP0218

(Helicobacter
pylori) 		PF01161
(PBP) 		5 HIS A 160
ILE A 170
TYR A 141
MET A   1
GLU A  55
 None
 1.44A 1ki3B-2evvA:
0.0		 1ki3B-2evvA:
20.54
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.
2nps SYNTAXIN 13
SYNTAXIN-6
VESICLE TRANSPORT
THROUGH INTERACTION
WITH T-SNARES
HOMOLOG 1A

(Homo sapiens;
Rattus
norvegicus) 		PF05739
(SNARE)
PF12352
(V-SNARE_C)
no annotation 		5 ILE B 216
ILE C 160
MET D 200
GLN D 197
GLU B 220
 None
 1.37A 1ki3B-2npsB:
undetectable		 1ki3B-2npsB:
10.51
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.
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
 1.18A 1ki3B-3c3vA:
0.0		 1ki3B-3c3vA:
21.72
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.
3euh MUKE

(Escherichia
coli) 		PF04288
(MukE) 		5 GLU C 218
MET C  57
GLN C  60
ARG C  76
GLU C  79
 None
 1.47A 1ki3B-3euhC:
0.0		 1ki3B-3euhC:
20.76
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.
3j9u V-TYPE PROTON ATPASE
CATALYTIC SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 5 ILE C 333
ILE C 337
TYR C 334
MET C 352
ARG C 394
 None
 1.41A 1ki3B-3j9uC:
1.5		 1ki3B-3j9uC:
22.74
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.
3qom 6-PHOSPHO-BETA-GLUCO
SIDASE

(Lactobacillus
plantarum) 		PF00232
(Glyco_hydro_1) 		5 HIS A 402
ILE A 406
ILE A 373
MET A 360
TYR A 316
 None
 1.24A 1ki3B-3qomA:
0.7		 1ki3B-3qomA:
20.77
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.
4hfq MUTT/NUDIX FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF00293
(NUDIX)
PF12535
(Nudix_N) 		5 GLU A 125
ILE A  76
ILE A  82
TYR A 194
GLU A  78
 None
None
None
None
GOL  A 315 (-2.7A)
 1.46A 1ki3B-4hfqA:
undetectable		 1ki3B-4hfqA:
21.70
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.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 322
ILE A 323
MET A 328
MET A 303
GLU A 346
 NAD  A 503 (-4.7A)
None
None
None
None
 1.17A 1ki3B-4lvcA:
undetectable		 1ki3B-4lvcA:
21.98
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.
5xs2 CYCLIN-C

(Homo sapiens) 		PF00134
(Cyclin_N)
PF16899
(Cyclin_C_2) 		5 HIS B 154
ILE B  62
GLN B  49
TYR B 184
GLU B  98
 None
 1.46A 1ki3B-5xs2B:
undetectable		 1ki3B-5xs2B:
20.35
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 5 HIS A1079
GLU A 965
ILE A1308
GLN A1316
ARG A1305
 None
 1.44A 1ki3B-6bq1A:
undetectable		 1ki3B-6bq1A:
0.00
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.
6ejb XYLOSYLTRANSFERASE 1

(Homo sapiens) 		no annotation 5 ILE A 608
ILE A 609
GLN A 341
ARG A 344
GLU A 607
 None
 1.40A 1ki3B-6ejbA:
undetectable		 1ki3B-6ejbA:
13.29