SIMILAR PATTERNS OF AMINO ACIDS FOR 3IK3_B_0LIB2_2

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.
1akc ASPARTATE
AMINOTRANSFERASE

(Gallus gallus) 		PF00155
(Aminotran_1_2) 		4 LEU A 187
TYR A 220
ILE A 248
MET A 223
 None
 1.29A 3ik3B-1akcA:
undetectable		 3ik3B-1akcA:
20.20
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.
1akc ASPARTATE
AMINOTRANSFERASE

(Gallus gallus) 		PF00155
(Aminotran_1_2) 		4 LEU A 187
TYR A 220
MET A 223
ARG A 275
 None
 1.08A 3ik3B-1akcA:
undetectable		 3ik3B-1akcA:
20.20
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.
1fuu YEAST INITIATION
FACTOR 4A

(Saccharomyces
cerevisiae) 		PF00270
(DEAD) 		4 LEU A 101
VAL A  61
ILE A 167
ARG A  50
 None
 1.30A 3ik3B-1fuuA:
undetectable		 3ik3B-1fuuA:
19.40
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.
1k86 CASPASE-7

(Homo sapiens) 		PF00656
(Peptidase_C14) 		4 LEU A 191
TYR A 230
VAL A 265
ILE A 288
 None
 1.06A 3ik3B-1k86A:
undetectable		 3ik3B-1k86A:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LEU A 267
LYS A 290
VAL A 308
ILE A 332
 P16  A   2 ( 4.2A)
P16  A   2 (-4.5A)
None
P16  A   2 (-4.1A)
 0.50A 3ik3B-1opkA:
34.6		 3ik3B-1opkA:
57.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1opk PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Mus musculus) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LEU A 267
VAL A 308
ILE A 332
MET A 337
 P16  A   2 ( 4.2A)
None
P16  A   2 (-4.1A)
None
 0.35A 3ik3B-1opkA:
34.6		 3ik3B-1opkA:
57.78
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.
1orp ENDONUCLEASE III

(Geobacillus
stearothermophilus) 		PF00633
(HHH)
PF00730
(HhH-GPD) 		4 TYR A   9
VAL A 161
ILE A 168
ARG A 144
 None
 1.24A 3ik3B-1orpA:
undetectable		 3ik3B-1orpA:
19.24
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.
1rkr AZURIN-I

(Achromobacter
xylosoxidans) 		PF00127
(Copper-bind) 		4 LEU A  68
TYR A  72
VAL A  31
MET A  44
 None
 1.01A 3ik3B-1rkrA:
undetectable		 3ik3B-1rkrA:
17.01
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.
1sq4 GLYOXYLATE-INDUCED
PROTEIN

(Pseudomonas
aeruginosa) 		PF07883
(Cupin_2) 		4 LEU A 262
TYR A 260
VAL A  37
ILE A  57
 SCN  A 302 ( 4.5A)
None
None
None
 1.28A 3ik3B-1sq4A:
undetectable		 3ik3B-1sq4A:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 595
LYS A 623
VAL A 643
ARG A 791
 STI  A   3 ( 3.8A)
STI  A   3 (-3.7A)
None
None
 1.09A 3ik3B-1t46A:
29.2		 3ik3B-1t46A:
35.96
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.
1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF02581
(TMP-TENI) 		4 LEU A 114
VAL A  82
ILE A  91
ARG A  38
 None
 1.33A 3ik3B-1xi3A:
undetectable		 3ik3B-1xi3A:
22.26
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.
1xx4 3,2-TRANS-ENOYL-COA
ISOMERASE,
MITOCHONDRIAL

(Rattus
norvegicus) 		PF00378
(ECH_1) 		4 LEU A 124
TYR A 123
VAL A 226
MET A 245
 None
 1.20A 3ik3B-1xx4A:
undetectable		 3ik3B-1xx4A:
23.79
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.
1xyz 1,4-BETA-D-XYLAN-XYL
ANOHYDROLASE

(Ruminiclostridium
thermocellum) 		PF00331
(Glyco_hydro_10) 		4 TYR A 670
VAL A 701
ILE A 715
ARG A 655
 None
 1.26A 3ik3B-1xyzA:
undetectable		 3ik3B-1xyzA:
21.97
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.
1ycn PUTATIVE
CA2+-DEPENDENT
MEMBRANE-BINDING
PROTEIN ANNEXIN

(Arabidopsis
thaliana) 		PF00191
(Annexin) 		4 LEU A 118
VAL A 279
ILE A 275
MET A 107
 None
 1.08A 3ik3B-1ycnA:
undetectable		 3ik3B-1ycnA:
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.
1z5x ULTRASPIRACLE
PROTEIN (USP) A
HOMOLOGUE OF RXR

(Bemisia tabaci) 		PF00104
(Hormone_recep) 		4 LEU U 468
VAL U 389
ILE U 463
ARG U 351
 None
 1.14A 3ik3B-1z5xU:
undetectable		 3ik3B-1z5xU:
22.45
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.
2bma GLUTAMATE
DEHYDROGENASE
(NADP+)

(Plasmodium
falciparum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A  85
VAL A 398
ILE A 405
ARG A 205
 None
 1.05A 3ik3B-2bmaA:
undetectable		 3ik3B-2bmaA:
20.75
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.
2ciy CHLOROPEROXIDASE

(Leptoxyphium
fumago) 		PF01328
(Peroxidase_2) 		4 LEU A 196
VAL A 141
ILE A 207
ARG A 157
 None
MAN  A 751 ( 4.1A)
None
None
 1.21A 3ik3B-2ciyA:
undetectable		 3ik3B-2ciyA:
20.12
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.
2dby GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		4 LEU A 284
TYR A 279
VAL A 241
ILE A 205
 None
 1.29A 3ik3B-2dbyA:
undetectable		 3ik3B-2dbyA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU X  17
ILE X  80
MET X  85
ARG X 129
 STU  X 902 (-3.8A)
None
None
PTR  X 160 ( 3.4A)
 0.83A 3ik3B-2dq7X:
32.1		 3ik3B-2dq7X:
44.64
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.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 162
LYS A 186
VAL A 204
ILE A 234
 None
 0.66A 3ik3B-2eu9A:
21.3		 3ik3B-2eu9A:
23.86
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.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 LEU A  19
ILE A  91
MET A  96
ARG A 136
 ADP  A 500 (-4.3A)
None
None
None
 0.68A 3ik3B-2f9gA:
21.4		 3ik3B-2f9gA:
25.54
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.
2f9g MITOGEN-ACTIVATED
PROTEIN KINASE FUS3

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 LEU A  19
LYS A  42
ILE A  91
ARG A 136
 ADP  A 500 (-4.3A)
ADP  A 500 (-2.9A)
None
None
 0.79A 3ik3B-2f9gA:
21.4		 3ik3B-2f9gA:
25.54
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.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		4 LEU A 238
VAL A  34
ILE A 136
ARG A  49
 None
 1.10A 3ik3B-2fpqA:
undetectable		 3ik3B-2fpqA:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		4 LEU A 273
LYS A 295
ILE A 336
MET A 341
 QUE  A   1 (-3.9A)
None
None
None
 0.85A 3ik3B-2hckA:
29.8		 3ik3B-2hckA:
31.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 251
LYS A 273
VAL A 291
ILE A 314
 1BM  A 499 ( 3.7A)
1BM  A 499 (-3.8A)
None
1BM  A 499 (-3.9A)
 0.58A 3ik3B-2hk5A:
26.8		 3ik3B-2hk5A:
46.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 251
VAL A 291
ILE A 314
MET A 319
 1BM  A 499 ( 3.7A)
None
1BM  A 499 (-3.9A)
None
 0.72A 3ik3B-2hk5A:
26.8		 3ik3B-2hk5A:
46.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 248
LYS A 271
VAL A 289
ILE A 313
 GIN  A 600 ( 4.6A)
GIN  A 600 (-3.6A)
None
GIN  A 600 (-3.8A)
 0.73A 3ik3B-2hz0A:
33.9		 3ik3B-2hz0A:
98.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hz0 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 248
VAL A 289
ILE A 313
MET A 318
 GIN  A 600 ( 4.6A)
None
GIN  A 600 (-3.8A)
None
 0.31A 3ik3B-2hz0A:
33.9		 3ik3B-2hz0A:
98.89
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.
2ipp CATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 LEU B 181
VAL B 246
MET B 195
ARG B 235
 None
 1.17A 3ik3B-2ippB:
undetectable		 3ik3B-2ippB:
21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 251
ILE A 314
MET A 319
ARG A 363
 None
1N8  A 501 ( 4.6A)
1N8  A 501 ( 4.4A)
None
 0.81A 3ik3B-2og8A:
32.0		 3ik3B-2og8A:
44.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2og8 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE LCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 251
LYS A 273
ILE A 314
ARG A 363
 None
1N8  A 501 ( 3.4A)
1N8  A 501 ( 4.6A)
None
 1.19A 3ik3B-2og8A:
32.0		 3ik3B-2og8A:
44.95
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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 LEU A  52
TYR A  50
ILE A  11
ARG A 106
 None
 1.27A 3ik3B-2okxA:
undetectable		 3ik3B-2okxA:
14.03
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU X  70
LYS X  93
ILE X 136
ARG X 185
 F10  X 401 (-3.9A)
F10  X 401 (-4.3A)
None
None
 1.04A 3ik3B-2p3gX:
17.5		 3ik3B-2p3gX:
23.93
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.
2phk PHOSPHORYLASE KINASE

(Oryctolagus
cuniculus) 		PF00069
(Pkinase) 		4 LEU A  25
LYS A  48
MET A 106
ARG A 148
 ATP  A 381 ( 4.3A)
ATP  A 381 (-3.2A)
None
None
 1.20A 3ik3B-2phkA:
21.7		 3ik3B-2phkA:
27.69
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.
2qpt EH DOMAIN-CONTAINING
PROTEIN-2

(Mus musculus) 		PF00350
(Dynamin_N)
PF12763
(EF-hand_4)
PF16880
(EHD_N) 		4 LEU A 158
TYR A  67
VAL A 232
ILE A 196
 None
 1.23A 3ik3B-2qptA:
undetectable		 3ik3B-2qptA:
19.03
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.
2v1u CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG

(Aeropyrum
pernix) 		PF09079
(Cdc6_C)
PF13191
(AAA_16) 		4 LEU A  80
VAL A 107
ILE A 146
ARG A  99
 None
 1.33A 3ik3B-2v1uA:
undetectable		 3ik3B-2v1uA:
21.05
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.
2xsb HYALURONOGLUCOSAMINI
DASE

(Oceanicola
granulosus) 		PF07555
(NAGidase) 		4 LEU A 237
TYR A 272
VAL A  73
ILE A  26
 None
 1.19A 3ik3B-2xsbA:
undetectable		 3ik3B-2xsbA:
20.67
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.
2zl5 58 KD CAPSID PROTEIN

(Norwalk virus) 		PF00915
(Calici_coat)
PF08435
(Calici_coat_C) 		4 LEU A 238
VAL A 277
ILE A 442
MET A 422
 None
 1.32A 3ik3B-2zl5A:
undetectable		 3ik3B-2zl5A:
19.38
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.
3bh2 ACETOACETATE
DECARBOXYLASE

(Clostridium
acetobutylicum) 		PF06314
(ADC) 		4 LYS A 169
ILE A 184
MET A  96
ARG A  21
 None
 1.32A 3ik3B-3bh2A:
undetectable		 3ik3B-3bh2A:
22.03
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.
3bo7 PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYCLOPHILIN-TYPE

(Toxoplasma
gondii) 		PF00160
(Pro_isomerase) 		4 LEU A  64
VAL A 145
ILE A  57
ARG A  10
 SO4  A 205 (-4.3A)
None
None
None
 1.02A 3ik3B-3bo7A:
undetectable		 3ik3B-3bo7A:
22.90
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.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF00155
(Aminotran_1_2) 		4 LEU A 298
VAL A 335
ILE A 332
ARG A 142
 None
 1.30A 3ik3B-3cq5A:
undetectable		 3ik3B-3cq5A:
21.03
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.
3e96 DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
clausii) 		PF00701
(DHDPS) 		4 LEU A  12
VAL A 125
ILE A 112
ARG A 152
 None
 1.31A 3ik3B-3e96A:
undetectable		 3ik3B-3e96A:
21.78
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.
3ezj GENERAL SECRETION
PATHWAY PROTEIN GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		4 LEU A  60
TYR A  65
LYS A  76
ILE A  30
 None
 1.15A 3ik3B-3ezjA:
undetectable		 3ik3B-3ezjA:
20.06
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.
3fme DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  59
LYS A  82
ILE A 127
MET A 132
 STU  A   1 (-3.8A)
STU  A   1 ( 4.2A)
None
None
 0.54A 3ik3B-3fmeA:
17.3		 3ik3B-3fmeA:
26.58
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.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		4 LEU A 402
TYR A 190
ILE A 410
ARG A 201
 None
 1.26A 3ik3B-3hd6A:
undetectable		 3ik3B-3hd6A:
20.24
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.
3k9m CATHEPSIN B

(Homo sapiens) 		PF00112
(Peptidase_C1) 		4 LEU A 181
VAL A 246
MET A 195
ARG A 235
 None
 1.17A 3ik3B-3k9mA:
undetectable		 3ik3B-3k9mA:
19.47
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.
3kd6 CARBOHYDRATE KINASE,
PFKB FAMILY

(Chlorobaculum
tepidum) 		PF00294
(PfkB) 		4 LEU A 160
VAL A  49
ILE A   6
MET A 149
 None
None
None
AMP  A 509 (-3.0A)
 1.05A 3ik3B-3kd6A:
undetectable		 3ik3B-3kd6A:
23.38
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.
3kl0 GLUCURONOXYLANASE
XYNC

(Bacillus
subtilis) 		PF17189
(Glyco_hydro_30C) 		4 LEU A 362
TYR A 288
VAL A 230
ILE A 253
 None
 1.11A 3ik3B-3kl0A:
undetectable		 3ik3B-3kl0A:
20.93
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.
3lhl PUTATIVE AGMATINASE

(Clostridioides
difficile) 		PF00491
(Arginase) 		4 LEU A  54
VAL A 103
ILE A  70
MET A  47
 None
 1.25A 3ik3B-3lhlA:
undetectable		 3ik3B-3lhlA:
21.50
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		4 LEU A 680
LYS A 702
ILE A 743
ARG A 796
 ADP  A2101 ( 4.1A)
ADP  A2101 (-2.7A)
None
TPO  A 844 ( 3.0A)
 0.99A 3ik3B-3lj0A:
21.2		 3ik3B-3lj0A:
24.36
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.
3mg6 PROTEASOME COMPONENT
C11

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		4 LEU J 138
TYR J 124
ILE J   3
ARG J  84
 None
 1.25A 3ik3B-3mg6J:
undetectable		 3ik3B-3mg6J:
22.94
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.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 LEU A 461
TYR A 462
VAL A 363
ARG A 476
 None
 1.18A 3ik3B-3nzuA:
2.7		 3ik3B-3nzuA:
15.12
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.
3oss TYPE 2 SECRETION
SYSTEM, SECRETIN
GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		4 LEU D  60
TYR D  65
LYS D  76
ILE D  30
 None
 1.07A 3ik3B-3ossD:
undetectable		 3ik3B-3ossD:
20.89
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  50
LYS A  73
ILE A 116
ARG A 165
 I85  A 350 (-3.7A)
I85  A 350 (-2.8A)
None
None
 0.82A 3ik3B-3sheA:
18.3		 3ik3B-3sheA:
25.00
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		4 LEU X 246
VAL X 186
ILE X 236
ARG X 181
 None
 1.16A 3ik3B-3ss7X:
undetectable		 3ik3B-3ss7X:
20.39
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.
3vmw PECTATE LYASE

(Bacillus sp.
N16-5) 		PF00544
(Pec_lyase_C) 		4 TYR A   7
ILE A 134
MET A 218
ARG A 160
 None
None
None
SO4  A 907 (-3.3A)
 1.10A 3ik3B-3vmwA:
undetectable		 3ik3B-3vmwA:
21.78
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.
3vn9 DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 6

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  59
LYS A  82
ILE A 127
MET A 132
 None
ANK  A 401 (-2.4A)
None
None
 0.76A 3ik3B-3vn9A:
21.9		 3ik3B-3vn9A:
25.95
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.
3wxr PROTEASOME SUBUNIT
BETA TYPE-4

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		4 LEU K 143
TYR K 129
ILE K   3
ARG K  84
 None
 1.25A 3ik3B-3wxrK:
undetectable		 3ik3B-3wxrK:
22.56
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.
4aio LIMIT DEXTRINASE

(Hordeum vulgare) 		PF02922
(CBM_48)
PF11852
(DUF3372) 		4 TYR A 357
VAL A 450
ILE A 478
MET A 398
 GOL  A1888 (-3.9A)
None
None
None
 1.20A 3ik3B-4aioA:
undetectable		 3ik3B-4aioA:
16.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ckr EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 616
LYS A 655
MET A 704
ARG A 765
 None
DI1  A1000 (-3.9A)
None
None
 0.94A 3ik3B-4ckrA:
32.4		 3ik3B-4ckrA:
36.67
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		4 LEU A 396
VAL A 123
ILE A 117
ARG A 231
 None
 1.28A 3ik3B-4e4jA:
undetectable		 3ik3B-4e4jA:
22.41
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.
4ecl SERINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LEU A 280
VAL A 244
ILE A 336
ARG A 372
 None
 1.13A 3ik3B-4eclA:
undetectable		 3ik3B-4eclA:
20.42
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.
4hhr ALPHA-DIOXYGENASE

(Arabidopsis
thaliana) 		PF03098
(An_peroxidase) 		4 TYR A  58
VAL A 363
ILE A 359
ARG A 565
 None
 1.20A 3ik3B-4hhrA:
undetectable		 3ik3B-4hhrA:
17.97
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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		4 LEU A 182
TYR A 187
VAL A 250
ILE A 253
 SAH  A 501 (-4.0A)
SAH  A 501 ( 4.1A)
None
None
 1.32A 3ik3B-4ineA:
2.3		 3ik3B-4ineA:
20.88
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.
4k6j WINGS APART-LIKE
PROTEIN HOMOLOG

(Homo sapiens) 		PF07814
(WAPL) 		4 LEU A1163
ILE A 989
MET A1158
ARG A 931
 None
 1.32A 3ik3B-4k6jA:
undetectable		 3ik3B-4k6jA:
18.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lgg PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		4 LEU A 273
LYS A 295
VAL A 313
ILE A 336
 VGG  A 601 (-3.2A)
VGG  A 601 (-3.8A)
None
VGG  A 601 (-4.2A)
 0.81A 3ik3B-4lggA:
29.6		 3ik3B-4lggA:
46.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lgg PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC

(Gallus gallus) 		PF07714
(Pkinase_Tyr) 		4 LEU A 273
VAL A 313
ILE A 336
MET A 341
 VGG  A 601 (-3.2A)
None
VGG  A 601 (-4.2A)
None
 0.90A 3ik3B-4lggA:
29.6		 3ik3B-4lggA:
46.53
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.
4ls3 NICKEL (III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDIN GPROTEIN

(Helicobacter
pylori) 		PF01497
(Peripla_BP_2) 		4 LEU A 324
TYR A 318
MET A  66
ARG A 183
 None
 1.30A 3ik3B-4ls3A:
undetectable		 3ik3B-4ls3A:
20.41
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.
4mru SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		4 LEU A  57
VAL A 523
ILE A 151
ARG A 459
 None
 1.00A 3ik3B-4mruA:
undetectable		 3ik3B-4mruA:
21.16
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.
4n2c PROTEIN-ARGININE
DEIMINASE TYPE-2

(Homo sapiens) 		PF03068
(PAD)
PF08526
(PAD_N)
PF08527
(PAD_M) 		4 LEU A 304
VAL A 447
ILE A 429
ARG A 373
 None
 1.17A 3ik3B-4n2cA:
undetectable		 3ik3B-4n2cA:
19.65
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.
4n3w CREB-BINDING PROTEIN

(Homo sapiens) 		PF00439
(Bromodomain)
PF06001
(DUF902) 		4 LEU A1275
TYR A1204
VAL A1295
ARG A1288
 None
 1.22A 3ik3B-4n3wA:
undetectable		 3ik3B-4n3wA:
20.27
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.
4q2h PROLINE RACEMASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF05544
(Pro_racemase) 		4 LEU A 197
ILE A 284
MET A 229
ARG A  20
 None
None
CSO  A 255 ( 4.0A)
None
 1.16A 3ik3B-4q2hA:
undetectable		 3ik3B-4q2hA:
22.76
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.
4qdk MAGNESIUM-PROTOPORPH
YRIN
O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF07109
(Mg-por_mtran_C) 		4 LEU A 155
TYR A 128
VAL A  48
ILE A 161
 None
 1.32A 3ik3B-4qdkA:
undetectable		 3ik3B-4qdkA:
21.59
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.
4r2f EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Pseudarthrobacter
chlorophenolicus) 		PF01547
(SBP_bac_1) 		4 LEU A 324
ILE A 314
MET A 226
ARG A 178
 None
 1.21A 3ik3B-4r2fA:
undetectable		 3ik3B-4r2fA:
19.30
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.
4tvm CITRATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00285
(Citrate_synt) 		4 LEU A 262
VAL A 160
ILE A 396
ARG A 248
 None
 1.24A 3ik3B-4tvmA:
undetectable		 3ik3B-4tvmA:
21.03
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.
4upl SULFATASE FAMILY
PROTEIN

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 LEU A 490
TYR A 487
VAL A 471
MET A 439
 None
 1.32A 3ik3B-4uplA:
undetectable		 3ik3B-4uplA:
19.53
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.
4v0j ACYL-[ACYL-CARRIER-P
ROTEIN] DESATURASE,
CHLOROPLASTIC

(Ricinus
communis) 		PF03405
(FA_desaturase_2) 		4 VAL A 305
ILE A 190
MET A 265
ARG A 329
 None
 0.79A 3ik3B-4v0jA:
undetectable		 3ik3B-4v0jA:
24.65
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.
4v20 CELLOBIOHYDROLASE

(Aspergillus
fumigatus) 		PF00840
(Glyco_hydro_7) 		4 TYR A 109
VAL A 288
ILE A 428
MET A 367
 None
 1.21A 3ik3B-4v20A:
undetectable		 3ik3B-4v20A:
19.25
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.
4wv4 TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 10
TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 8

(Homo sapiens) 		PF03540
(TFIID_30kDa)
PF07524
(Bromo_TP) 		4 LEU A 123
TYR A 126
VAL B  39
ILE A 130
 None
 1.31A 3ik3B-4wv4A:
undetectable		 3ik3B-4wv4A:
17.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xey TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		no annotation 4 LEU B 267
VAL B 308
ILE B 332
MET B 337
 1N1  B 601 (-3.7A)
None
1N1  B 601 (-4.1A)
None
 0.63A 3ik3B-4xeyB:
30.1		 3ik3B-4xeyB:
92.21
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 LEU A  33
VAL A 540
ILE A 273
ARG A 559
 None
 1.07A 3ik3B-4ynuA:
undetectable		 3ik3B-4ynuA:
20.82
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		4 LEU A 736
VAL A 768
ILE A 759
ARG A 728
 None
None
None
BCO  A1103 (-3.6A)
 1.19A 3ik3B-5cjuA:
undetectable		 3ik3B-5cjuA:
13.13
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.
5d76 PUTATIVE PHAGE LYSIN

(Streptococcus
phage phi7917) 		PF05257
(CHAP)
PF08460
(SH3_5) 		4 TYR A 237
VAL A 214
ILE A 206
MET A  36
 None
 1.16A 3ik3B-5d76A:
undetectable		 3ik3B-5d76A:
19.87
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.
5dlk TQAA

(Penicillium
aethiopicum) 		PF00668
(Condensation) 		4 LEU A 472
VAL A 274
ILE A 461
MET A 348
 EDO  A 505 ( 4.0A)
None
None
None
 1.02A 3ik3B-5dlkA:
undetectable		 3ik3B-5dlkA:
20.29
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		4 LEU A 514
VAL A 457
ILE A 427
ARG A 419
 None
 1.27A 3ik3B-5dotA:
undetectable		 3ik3B-5dotA:
10.88
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.
5eyk AURORA KINASE B-A

(Xenopus laevis) 		PF00069
(Pkinase) 		4 LEU A 154
VAL A 337
MET A 224
ARG A 331
 5U5  A 401 (-4.8A)
None
None
None
 1.21A 3ik3B-5eykA:
17.1		 3ik3B-5eykA:
24.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5grn PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR ALPHA

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 599
LYS A 627
ILE A 672
ARG A 817
 748  A1001 (-3.8A)
748  A1001 (-4.0A)
748  A1001 (-3.9A)
None
 1.05A 3ik3B-5grnA:
34.6		 3ik3B-5grnA:
33.80
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.
5h12 DEEP VENT DNA
POLYMERASE

(Pyrococcus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 LEU A 275
TYR A 209
VAL A 220
ILE A 142
 None
 1.31A 3ik3B-5h12A:
undetectable		 3ik3B-5h12A:
17.94
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.
5h55 MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
12

(Kluyveromyces
lactis) 		no annotation 4 LEU A 134
VAL A  16
ILE A 146
ARG A  11
 None
 1.27A 3ik3B-5h55A:
undetectable		 3ik3B-5h55A:
22.94
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.
5h5c MITOCHONDRIAL
DISTRIBUTION AND
MORPHOLOGY PROTEIN
12

(Kluyveromyces
lactis) 		no annotation 4 LEU A 134
VAL A  16
ILE A 146
ARG A  11
 None
 1.28A 3ik3B-5h5cA:
undetectable		 3ik3B-5h5cA:
24.75
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		4 LEU A 247
VAL A  55
ILE A 122
ARG A  50
 None
 1.31A 3ik3B-5ijlA:
undetectable		 3ik3B-5ijlA:
13.44
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.
5lsu HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2

(Homo sapiens) 		PF00856
(SET) 		4 LEU A1202
TYR A1179
ILE A1106
ARG A1126
 SAM  A1304 ( 4.7A)
SAM  A1304 (-4.1A)
None
None
 1.25A 3ik3B-5lsuA:
undetectable		 3ik3B-5lsuA:
21.40
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.
5u94 SERINE/THREONINE-PRO
TEIN KINASE PKNB

(Mycobacterium
tuberculosis) 		no annotation 4 LEU A  17
LYS A  40
ILE A  90
ARG A 137
 G93  A 301 ( 3.8A)
G93  A 301 (-3.0A)
G93  A 301 ( 3.8A)
None
 0.92A 3ik3B-5u94A:
18.0		 3ik3B-5u94A:
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.
5uuo GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Novosphingobium
aromaticivorans) 		no annotation 4 TYR B 183
VAL B 244
ILE B 223
ARG B 196
 None
None
None
SO4  B 304 ( 3.1A)
 1.17A 3ik3B-5uuoB:
undetectable		 3ik3B-5uuoB:
13.00
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.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 4 LEU A 150
VAL A  83
ILE A 116
MET A 245
 None
 1.32A 3ik3B-6b5fA:
undetectable		 3ik3B-6b5fA:
21.69
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.
6bc5 AAC 3-VI PROTEIN

(Enterobacter
cloacae) 		no annotation 4 TYR A 190
VAL A 254
ILE A 175
ARG A 251
 None
 1.19A 3ik3B-6bc5A:
undetectable		 3ik3B-6bc5A:
15.04
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.
6fdg 4-HYDROXYBENZOYL-COA
THIOESTERASE

(Staphylococcus
aureus) 		no annotation 4 LEU A  41
VAL A  74
ILE A   5
ARG A  11
 None
 1.22A 3ik3B-6fdgA:
undetectable		 3ik3B-6fdgA:
14.34
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.
6fyl DUAL SPECIFICITY
PROTEIN KINASE CLK2

(Homo sapiens) 		no annotation 4 LEU A 169
LYS A 193
VAL A 211
ILE A 241
 3NG  A 501 (-3.9A)
3NG  A 501 (-3.0A)
None
None
 0.57A 3ik3B-6fylA:
21.6		 3ik3B-6fylA:
undetectable
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.
6fyo DUAL SPECIFICITY
PROTEIN KINASE CLK1

(Homo sapiens) 		no annotation 4 LEU A 167
LYS A 191
VAL A 209
ILE A 239
 EAQ  A 501 (-3.9A)
EAQ  A 501 (-3.2A)
None
None
 0.64A 3ik3B-6fyoA:
21.2		 3ik3B-6fyoA:
undetectable
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.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 4 LEU A 167
LYS A 191
VAL A 209
ILE A 239
 3NG  A 501 (-3.9A)
3NG  A 501 (-2.7A)
None
None
 0.62A 3ik3B-6fyvA:
21.5		 3ik3B-6fyvA:
undetectable