SIMILAR PATTERNS OF AMINO ACIDS FOR 4WBO_B_ANWB601_0

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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 LEU A 125
ALA A 116
ILE A 115
ALA A 107
 None
 0.76A 4wboB-1nkvA:
undetectable		 4wboB-1nkvA:
19.22
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.
1orr CDP-TYVELOSE-2-EPIME
RASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		4 LEU A 107
ALA A 110
ILE A  69
ALA A  81
 None
None
None
NAD  A1200 (-3.8A)
 0.78A 4wboB-1orrA:
0.0		 4wboB-1orrA:
21.36
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.
1p9p TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF01746
(tRNA_m1G_MT) 		4 LEU A  67
ALA A  70
ILE A   6
LEU A   8
 None
 0.78A 4wboB-1p9pA:
0.0		 4wboB-1p9pA:
19.18
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.
1u59 TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 ALA A 367
MET A 414
LEU A 468
SER A 478
 STU  A 100 (-3.2A)
STU  A 100 (-3.6A)
STU  A 100 (-4.5A)
STU  A 100 (-3.1A)
 0.46A 4wboB-1u59A:
24.0		 4wboB-1u59A:
20.44
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.
1u59 TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 344
ALA A 367
MET A 414
SER A 478
 STU  A 100 (-3.8A)
STU  A 100 (-3.2A)
STU  A 100 (-3.6A)
STU  A 100 (-3.1A)
 0.55A 4wboB-1u59A:
24.0		 4wboB-1u59A:
20.44
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.
1z3i SIMILAR TO
RAD54-LIKE

(Danio rerio) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		4 LEU X 181
ILE X 393
LEU X 398
ALA X 599
 None
 0.77A 4wboB-1z3iX:
undetectable		 4wboB-1z3iX:
20.83
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.
1zlt SERINE/THREONINE-PRO
TEIN KINASE CHK1

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  15
ALA A  36
LEU A 137
SER A 147
 HYM  A 400 (-4.2A)
HYM  A 400 (-3.5A)
HYM  A 400 (-4.5A)
HYM  A 400 (-3.5A)
 0.49A 4wboB-1zltA:
24.6		 4wboB-1zltA:
19.45
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.
2chr CHLOROMUCONATE
CYCLOISOMERASE

(Cupriavidus
necator) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 108
ALA A  80
MET A   1
ILE A   3
 None
 0.74A 4wboB-2chrA:
undetectable		 4wboB-2chrA:
20.97
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.
2fc3 50S RIBOSOMAL
PROTEIN L7AE

(Aeropyrum
pernix) 		PF01248
(Ribosomal_L7Ae) 		4 ALA A  48
ILE A  75
LEU A  66
SER A  98
 None
 0.77A 4wboB-2fc3A:
undetectable		 4wboB-2fc3A:
14.81
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.
2i79 ACETYLTRANSFERASE,
GNAT FAMILY

(Streptococcus
pneumoniae) 		PF00583
(Acetyltransf_1) 		5 LEU A  90
ALA A 111
ILE A 112
LEU A 121
SER A 118
 None
 1.44A 4wboB-2i79A:
undetectable		 4wboB-2i79A:
14.97
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.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		4 ALA A 110
ASN A 106
LEU A 102
ALA A  65
 None
 0.72A 4wboB-2j8kA:
undetectable		 4wboB-2j8kA:
18.73
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.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		4 ALA A 120
ASN A 116
LEU A 112
ALA A  75
 None
MES  A1176 (-3.2A)
None
None
 0.67A 4wboB-2j8kA:
undetectable		 4wboB-2j8kA:
18.73
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.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		4 ALA A 130
ASN A 126
LEU A 122
ALA A  85
 None
 0.62A 4wboB-2j8kA:
undetectable		 4wboB-2j8kA:
18.73
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.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		4 ALA A 150
ASN A 146
LEU A 142
ALA A 105
 None
 0.66A 4wboB-2j8kA:
undetectable		 4wboB-2j8kA:
18.73
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.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		4 ALA A 165
ASN A 161
LEU A 157
ALA A 120
 None
 0.66A 4wboB-2j8kA:
undetectable		 4wboB-2j8kA:
18.73
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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  29
ALA A  50
LEU A 151
SER A 164
 QPP  A1314 (-3.7A)
QPP  A1314 ( 3.7A)
None
None
 0.66A 4wboB-2jc6A:
21.4		 4wboB-2jc6A:
23.89
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.
2jc6 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1D

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  29
ALA A  50
MET A  98
SER A 164
 QPP  A1314 (-3.7A)
QPP  A1314 ( 3.7A)
QPP  A1314 ( 4.1A)
None
 0.38A 4wboB-2jc6A:
21.4		 4wboB-2jc6A:
23.89
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.
2n0s FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		4 ALA A 260
ILE A  98
SER A 128
ALA A 437
 None
 0.77A 4wboB-2n0sA:
undetectable		 4wboB-2n0sA:
23.04
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.
2o6w REPEAT FIVE RESIDUE
(RFR) PROTEIN OR
PENTAPEPTIDE REPEAT
PROTEIN

(Cyanothece) 		PF00805
(Pentapeptide) 		4 ALA A 130
ASN A 126
LEU A 122
ALA A  85
 None
 0.69A 4wboB-2o6wA:
undetectable		 4wboB-2o6wA:
14.39
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.
2o6w REPEAT FIVE RESIDUE
(RFR) PROTEIN OR
PENTAPEPTIDE REPEAT
PROTEIN

(Cyanothece) 		PF00805
(Pentapeptide) 		4 ALA A 150
ASN A 146
LEU A 142
ALA A 105
 None
 0.77A 4wboB-2o6wA:
undetectable		 4wboB-2o6wA:
14.39
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.
2ozo TYROSINE-PROTEIN
KINASE ZAP-70

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		5 LEU A 344
ALA A 367
MET A 414
LEU A 468
SER A 478
 ANP  A 615 (-4.4A)
ANP  A 615 (-3.3A)
ANP  A 615 ( 3.9A)
ANP  A 615 (-4.7A)
MG  A 614 ( 4.1A)
 0.56A 4wboB-2ozoA:
19.7		 4wboB-2ozoA:
21.82
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU X  70
ALA X  91
MET X 138
LEU X 193
 F10  X 401 (-3.9A)
F10  X 401 (-3.4A)
F10  X 401 ( 4.0A)
F10  X 401 ( 4.4A)
 0.67A 4wboB-2p3gX:
18.5		 4wboB-2p3gX:
20.51
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.
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		4 LEU X  34
ALA X  53
LEU X 179
SER X 189
 HMD  X 400 ( 4.3A)
HMD  X 400 (-3.5A)
HMD  X 400 (-4.7A)
HMD  X 400 ( 3.9A)
 0.32A 4wboB-2pmoX:
26.2		 4wboB-2pmoX:
21.42
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.
2qh5 MANNOSE-6-PHOSPHATE
ISOMERASE

(Helicobacter
pylori) 		PF00483
(NTP_transferase) 		4 LEU A 200
ALA A 247
ASN A  90
ALA A  96
 None
 0.78A 4wboB-2qh5A:
undetectable		 4wboB-2qh5A:
22.28
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA A 177
ILE A 178
LEU A 245
ALA A 242
 None
 0.78A 4wboB-2wgeA:
undetectable		 4wboB-2wgeA:
22.91
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.
2wtk SERINE/THREONINE-PRO
TEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU C  55
ALA C  76
MET C 129
LEU C 183
SER C 193
 ANP  C   2 ( 4.4A)
ANP  C   2 (-3.4A)
None
None
None
 0.86A 4wboB-2wtkC:
28.7		 4wboB-2wtkC:
22.24
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.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 147
ALA A 112
MET A  37
ILE A  39
 None
 0.57A 4wboB-3bjsA:
undetectable		 4wboB-3bjsA:
23.67
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.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		4 ALA X 105
ASN X 101
LEU X  97
ALA X  60
 None
 0.69A 4wboB-3du1X:
undetectable		 4wboB-3du1X:
21.88
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.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		4 ALA X 203
ASN X 199
LEU X 195
ALA X 150
 None
 0.78A 4wboB-3du1X:
undetectable		 4wboB-3du1X:
21.88
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.
3du1 ALL3740 PROTEIN

(Nostoc sp. PCC
7120) 		PF00805
(Pentapeptide) 		4 ALA X 213
ASN X 209
LEU X 205
ALA X 160
 None
 0.76A 4wboB-3du1X:
undetectable		 4wboB-3du1X:
21.88
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.
3eb0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 LEU A  15
ALA A  36
MET A 117
LEU A 173
 DRK  A 384 (-3.8A)
DRK  A 384 (-3.5A)
DRK  A 384 (-3.8A)
DRK  A 384 (-4.4A)
 0.67A 4wboB-3eb0A:
24.3		 4wboB-3eb0A:
23.47
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.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		4 ILE A 218
LEU A 253
SER A 243
ALA A 106
 None
 0.79A 4wboB-3g0tA:
undetectable		 4wboB-3g0tA:
23.70
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.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		4 LEU A 277
LEU A 253
SER A 243
ALA A 106
 EDO  A 441 (-4.1A)
None
None
None
 0.73A 4wboB-3g0tA:
undetectable		 4wboB-3g0tA:
23.70
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.
3gri DIHYDROOROTASE

(Staphylococcus
aureus) 		PF01979
(Amidohydro_1) 		4 LEU A 375
ALA A 373
ILE A  27
ALA A  45
 None
 0.70A 4wboB-3griA:
undetectable		 4wboB-3griA:
23.16
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.
3hjw 50S RIBOSOMAL
PROTEIN L7AE

(Pyrococcus
furiosus) 		PF01248
(Ribosomal_L7Ae) 		4 ALA C  49
ILE C  76
LEU C  67
SER C  99
 None
 0.73A 4wboB-3hjwC:
undetectable		 4wboB-3hjwC:
13.19
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.
3jq0 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 LEU A 219
ALA A 143
ILE A 187
ALA A 244
 None
 0.72A 4wboB-3jq0A:
undetectable		 4wboB-3jq0A:
22.52
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.
3jys SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 LEU A 229
ALA A 163
ILE A 200
ALA A 252
 None
 0.77A 4wboB-3jysA:
undetectable		 4wboB-3jysA:
22.60
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.
3kn5 RIBOSOMAL PROTEIN S6
KINASE ALPHA-5

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 432
ALA A 453
MET A 498
ASN A 502
 ANP  A 400 (-4.1A)
ANP  A 400 ( 3.8A)
None
None
 0.79A 4wboB-3kn5A:
20.5		 4wboB-3kn5A:
21.94
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.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 LEU A  68
ALA A  89
MET A 138
LEU A 191
 ANP  A 522 (-4.6A)
ANP  A 522 (-3.6A)
ANP  A 522 ( 4.4A)
ANP  A 522 (-4.7A)
 0.47A 4wboB-3lijA:
26.4		 4wboB-3lijA:
22.44
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		4 LEU A 680
ALA A 700
LEU A 804
SER A 827
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.5A)
ADP  A2101 (-4.4A)
ADP  A2101 ( 4.4A)
 0.52A 4wboB-3lj0A:
22.6		 4wboB-3lj0A:
23.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A 192
ALA A 213
ASN A 267
LEU A 318
SER A 328
 AMP  A 577 ( 4.3A)
AMP  A 577 (-3.4A)
None
AMP  A 577 (-4.8A)
None
 0.53A 4wboB-3nyoA:
40.2		 4wboB-3nyoA:
44.52
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.
3ouu BIOTIN CARBOXYLASE

(Campylobacter
jejuni) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A   7
ALA A  70
ILE A  50
SER A  60
ALA A  15
 None
 1.33A 4wboB-3ouuA:
undetectable		 4wboB-3ouuA:
22.20
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  50
ALA A  71
MET A 118
LEU A 173
 I85  A 350 (-3.7A)
I85  A 350 (-3.3A)
I85  A 350 ( 3.9A)
None
 0.57A 4wboB-3sheA:
18.2		 4wboB-3sheA:
23.15
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.
3t8q MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Hoeflea
phototrophica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A  89
ALA A  56
MET A   1
ILE A   3
 None
 0.61A 4wboB-3t8qA:
undetectable		 4wboB-3t8qA:
21.83
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.
3txo PROTEIN KINASE C ETA
TYPE

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 LEU A 361
ALA A 382
MET A 433
LEU A 486
 07U  A   1 ( 4.8A)
07U  A   1 (-3.3A)
07U  A   1 ( 4.3A)
07U  A   1 (-4.3A)
 0.33A 4wboB-3txoA:
24.3		 4wboB-3txoA:
27.18
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.
3wig DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  75
ALA A  96
MET A 144
LEU A 198
 ANP  A 401 (-3.8A)
ANP  A 401 (-3.2A)
CHU  A 403 (-3.8A)
ANP  A 401 (-4.8A)
 0.54A 4wboB-3wigA:
7.7		 4wboB-3wigA:
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.
4bh6 APC/C ACTIVATOR
PROTEIN CDH1

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 LEU A 340
ILE A 328
LEU A 350
SER A 307
 None
 0.57A 4wboB-4bh6A:
undetectable		 4wboB-4bh6A:
19.85
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.
4bzk PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12931
(Sec16_C) 		4 LEU A 551
ALA A 543
ILE A 542
LEU A 531
 None
 0.73A 4wboB-4bzkA:
undetectable		 4wboB-4bzkA:
15.37
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 LEU A 663
ALA A 684
MET A 737
LEU A 789
 AGS  A1985 (-4.2A)
AGS  A1985 (-3.5A)
AGS  A1985 (-4.2A)
AGS  A1985 (-4.8A)
 0.41A 4wboB-4crsA:
35.4		 4wboB-4crsA:
25.42
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.
4cuk D-LACTATE
DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A 215
ILE A 201
LEU A 255
ALA A 242
 None
 0.71A 4wboB-4cukA:
undetectable		 4wboB-4cukA:
21.60
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.
4dhz UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans;
Homo sapiens) 		PF10275
(Peptidase_C65) 		5 LEU A 221
ALA A 224
ILE A 176
LEU A 181
ALA A 213
 None
 1.01A 4wboB-4dhzA:
undetectable		 4wboB-4dhzA:
21.67
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.
4e4f MANNONATE
DEHYDRATASE

(Pectobacterium
carotovorum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A  93
ALA A  60
MET A   1
ILE A   3
 None
 0.68A 4wboB-4e4fA:
undetectable		 4wboB-4e4fA:
20.45
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.
4eqm PROTEIN KINASE

(Staphylococcus
aureus) 		PF00069
(Pkinase) 		4 LEU A  16
ALA A  37
MET A  87
LEU A 140
 ANP  A 300 (-4.7A)
ANP  A 300 ( 3.8A)
ANP  A 300 (-3.6A)
ANP  A 300 (-4.7A)
 0.52A 4wboB-4eqmA:
22.9		 4wboB-4eqmA:
19.12
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.
4f4p TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 377
ALA A 400
MET A 448
LEU A 501
SER A 511
 0SB  A 701 ( 3.9A)
0SB  A 701 (-3.3A)
0SB  A 701 (-3.6A)
0SB  A 701 (-4.4A)
0SB  A 701 (-3.2A)
 0.66A 4wboB-4f4pA:
23.5		 4wboB-4f4pA:
20.15
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.
4fg8 CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  26
ALA A  47
MET A  95
LEU A 148
 ATP  A 401 (-3.8A)
ATP  A 401 (-3.6A)
ATP  A 401 ( 4.3A)
ATP  A 401 (-4.6A)
 0.62A 4wboB-4fg8A:
21.4		 4wboB-4fg8A:
23.54
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.
4fl3 TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		5 LEU A 377
ALA A 400
MET A 448
LEU A 501
SER A 511
 ANP  A 701 ( 4.6A)
ANP  A 701 (-3.3A)
ANP  A 701 ( 3.7A)
ANP  A 701 (-4.5A)
MG  A 702 ( 4.2A)
 0.54A 4wboB-4fl3A:
20.9		 4wboB-4fl3A:
21.38
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.
4gl9 TYROSINE-PROTEIN
KINASE

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		4 LEU A 855
ALA A 880
MET A 929
LEU A 983
 IZA  A2001 (-3.7A)
IZA  A2001 (-3.4A)
IZA  A2001 (-4.4A)
IZA  A2001 ( 4.7A)
 0.52A 4wboB-4gl9A:
22.9		 4wboB-4gl9A:
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.
4hn8 D-GLUCARATE
DEHYDRATASE

(Pseudomonas
mendocina) 		PF13378
(MR_MLE_C) 		4 LEU A 208
ALA A 199
ILE A 171
ALA A 166
 None
 0.56A 4wboB-4hn8A:
undetectable		 4wboB-4hn8A:
24.14
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.
4hvi TYROSINE-PROTEIN
KINASE JAK3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 828
ALA A 853
MET A 902
LEU A 956
 19S  A1201 (-3.9A)
19S  A1201 (-3.3A)
19S  A1201 (-3.6A)
19S  A1201 (-4.5A)
 0.47A 4wboB-4hviA:
20.1		 4wboB-4hviA:
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.
4lg4 SERINE/THREONINE-PRO
TEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  33
ALA A  54
MET A  99
LEU A 153
 GOL  A 404 ( 3.6A)
GOL  A 404 ( 3.1A)
GOL  A 403 (-2.7A)
GOL  A 403 ( 4.4A)
 0.43A 4wboB-4lg4A:
19.2		 4wboB-4lg4A:
19.96
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.
4muz OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Archaeoglobus
fulgidus) 		PF00215
(OMPdecase) 		5 LEU A  26
ALA A  40
MET A  37
ILE A  39
LEU A  56
 None
 1.22A 4wboB-4muzA:
undetectable		 4wboB-4muzA:
19.96
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.
4mvf CALCIUM-DEPENDENT
PROTEIN KINASE 2

(Plasmodium
falciparum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 LEU A  78
ALA A  99
MET A 146
LEU A 199
 STU  A 601 ( 4.0A)
STU  A 601 (-3.3A)
STU  A 601 ( 4.3A)
STU  A 601 (-4.7A)
 0.57A 4wboB-4mvfA:
20.6		 4wboB-4mvfA:
23.61
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.
4n0g ABSCISIC ACID
RECEPTOR PYL13

(Arabidopsis
thaliana) 		PF10604
(Polyketide_cyc2) 		4 LEU C 158
ALA C  36
LEU C  28
ALA C  19
 None
 0.68A 4wboB-4n0gC:
undetectable		 4wboB-4n0gC:
15.34
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.
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 903
ALA A 928
MET A 978
LEU A1030
 2TT  A1202 (-3.5A)
2TT  A1202 ( 3.9A)
2TT  A1202 ( 4.4A)
2TT  A1202 (-4.4A)
 0.65A 4wboB-4oliA:
22.5		 4wboB-4oliA:
24.59
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.
4prk 4-PHOSPHOERYTHRONATE
DEHYDROGENASE

(Lactobacillus
jensenii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 ALA A 110
ILE A 231
LEU A 151
ALA A 170
 None
 0.62A 4wboB-4prkA:
undetectable		 4wboB-4prkA:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 LEU A 192
ALA A 213
ILE A 265
LEU A 318
SER A 328
 SGV  A 601 (-4.1A)
SGV  A 601 (-3.3A)
None
SGV  A 601 (-4.9A)
SGV  A 601 (-4.2A)
 0.41A 4wboB-4tnbA:
31.0		 4wboB-4tnbA:
44.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wbo RHODOPSIN KINASE

(Bos taurus) 		PF00069
(Pkinase)
PF00615
(RGS) 		8 LEU A 193
ALA A 214
MET A 264
ILE A 266
ASN A 268
LEU A 321
SER A 331
ALA A 478
 ANW  A 601 ( 4.0A)
ANW  A 601 (-3.4A)
ANW  A 601 (-3.2A)
None
None
ANW  A 601 (-4.9A)
ANW  A 601 ( 4.0A)
ANW  A 601 (-3.5A)
 0.14A 4wboB-4wboA:
55.8		 4wboB-4wboA:
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.
4wsq AP2-ASSOCIATED
PROTEIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A  52
ALA A  72
MET A 126
LEU A 183
 KSA  A 405 ( 4.0A)
KSA  A 405 (-3.2A)
KSA  A 405 ( 3.7A)
KSA  A 405 (-4.6A)
 0.40A 4wboB-4wsqA:
24.3		 4wboB-4wsqA:
22.50
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.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		4 ALA A 348
MET A 395
LEU A 447
SER A 457
 ATP  A 601 ( 3.7A)
ATP  A 601 (-4.3A)
None
ATP  A 601 ( 4.6A)
 0.51A 4wboB-4xbrA:
24.5		 4wboB-4xbrA:
23.32
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.
4y93 NON-SPECIFIC
PROTEIN-TYROSINE
KINASE,NON-SPECIFIC
PROTEIN-TYROSINE
KINASE

(Bos taurus) 		PF00169
(PH)
PF00779
(BTK)
PF07714
(Pkinase_Tyr) 		4 LEU A 408
ALA A 428
LEU A 528
SER A 538
 746  A 702 (-3.8A)
746  A 702 (-2.4A)
746  A 702 (-4.4A)
746  A 702 ( 3.8A)
 0.70A 4wboB-4y93A:
21.3		 4wboB-4y93A:
21.99
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		4 ALA A  95
ASN A  91
LEU A  87
ALA A  50
 None
 0.71A 4wboB-4yeiA:
undetectable		 4wboB-4yeiA:
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		4 ALA A 100
ASN A  96
LEU A  92
ALA A  55
 None
 0.63A 4wboB-4yeiA:
undetectable		 4wboB-4yeiA:
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		4 ALA A 105
ASN A 101
LEU A  97
ALA A  60
 None
 0.70A 4wboB-4yeiA:
undetectable		 4wboB-4yeiA:
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		4 ALA A 125
ASN A 121
LEU A 117
ALA A  80
 None
 0.72A 4wboB-4yeiA:
undetectable		 4wboB-4yeiA:
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		4 ALA A 130
ASN A 126
LEU A 122
ALA A  85
 None
 0.69A 4wboB-4yeiA:
undetectable		 4wboB-4yeiA:
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		4 ALA A 135
ASN A 131
LEU A 127
ALA A  90
 None
 0.74A 4wboB-4yeiA:
undetectable		 4wboB-4yeiA:
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		4 ALA A 140
ASN A 136
LEU A 132
ALA A  95
 None
 0.68A 4wboB-4yeiA:
undetectable		 4wboB-4yeiA:
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		4 ALA A 160
ASN A 156
LEU A 152
ALA A 115
 None
 0.75A 4wboB-4yeiA:
undetectable		 4wboB-4yeiA:
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		4 ALA A 165
ASN A 161
LEU A 157
ALA A 120
 None
 0.73A 4wboB-4yeiA:
undetectable		 4wboB-4yeiA:
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		4 ALA A 170
ASN A 166
LEU A 162
ALA A 125
 None
 0.71A 4wboB-4yeiA:
undetectable		 4wboB-4yeiA:
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		4 ALA A 180
ASN A 176
LEU A 172
ALA A 135
 None
 0.65A 4wboB-4yeiA:
undetectable		 4wboB-4yeiA:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		6 LEU A 193
ALA A 214
ILE A 266
ASN A 268
LEU A 319
SER A 329
 AN2  A 601 ( 4.2A)
AN2  A 601 (-3.6A)
None
None
None
AN2  A 601 ( 4.5A)
 0.57A 4wboB-4yhjA:
44.8		 4wboB-4yhjA:
44.26
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.
4z7g SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		4 LEU A 577
ALA A 597
LEU A 695
SER A 710
 None
 0.36A 4wboB-4z7gA:
17.6		 4wboB-4z7gA:
22.52
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.
4zg5 5'-NUCLEOTIDASE SURE

(Brucella
abortus) 		no annotation 4 LEU D  88
ALA D  23
ILE D  22
LEU D  16
 None
 0.73A 4wboB-4zg5D:
undetectable		 4wboB-4zg5D:
20.70
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.
5a31 THE
ANAPHASE-PROMOTING
COMPLEX CHAIN R

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 LEU R 264
ILE R 252
LEU R 274
SER R 231
 None
 0.57A 4wboB-5a31R:
undetectable		 4wboB-5a31R:
20.87
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.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 LEU A 177
ALA A 152
ILE A 530
ALA A 249
 None
 0.69A 4wboB-5df0A:
undetectable		 4wboB-5df0A:
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.
5e0n ENOYL-COA
HYDRATASE/ISOMERASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 LEU X 126
ALA X 162
ILE X 163
SER X 190
ALA X 117
 None
 1.25A 4wboB-5e0nX:
undetectable		 4wboB-5e0nX:
20.18
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.
5f1z NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 903
ALA A 928
MET A 978
LEU A1030
 5U3  A1200 (-3.8A)
5U3  A1200 (-3.5A)
5U3  A1200 ( 4.0A)
5U3  A1200 (-4.4A)
 0.53A 4wboB-5f1zA:
23.0		 4wboB-5f1zA:
23.41
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.
5fm2 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 730
ALA A 756
LEU A 881
SER A 891
 PP1  A2012 (-4.6A)
PP1  A2012 (-3.2A)
PP1  A2012 (-4.6A)
PP1  A2012 (-3.1A)
 0.68A 4wboB-5fm2A:
23.5		 4wboB-5fm2A:
20.44
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 LEU C 435
ALA C 433
ILE C  94
ALA C 124
 None
 0.71A 4wboB-5fseC:
undetectable		 4wboB-5fseC:
21.79
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.
5iso 5'-AMP-ACTIVATED
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA-2

(Homo sapiens) 		PF00069
(Pkinase)
PF16579
(AdenylateSensor) 		4 LEU A  22
ALA A  43
MET A  93
LEU A 146
 STU  A 601 (-4.1A)
STU  A 601 (-3.3A)
STU  A 601 ( 3.9A)
STU  A 601 (-4.5A)
 0.56A 4wboB-5isoA:
28.0		 4wboB-5isoA:
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.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 4 LEU A 220
ILE A  24
LEU A 217
ALA A 162
 None
 0.76A 4wboB-5iuwA:
undetectable		 4wboB-5iuwA:
24.06
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.
5m31 APPR-1-P PROCESSING
DOMAIN PROTEIN

(Thermus
aquaticus) 		PF01661
(Macro) 		4 LEU A  10
ALA A  38
ASN A  19
ALA A 112
 CL  A 204 ( 4.8A)
None
None
None
 0.77A 4wboB-5m31A:
undetectable		 4wboB-5m31A:
16.47
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.
5oat SERINE/THREONINE-PRO
TEIN KINASE PINK1,
MITOCHONDRIAL-LIKE
PROTEIN

(Tribolium
castaneum) 		no annotation 4 ALA A 194
MET A 294
LEU A 344
SER A 358
 None
 0.70A 4wboB-5oatA:
undetectable		 4wboB-5oatA:
23.53
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.
5u1d ANTIGEN PEPTIDE
TRANSPORTER 2
TAP TRANSPORTER
INHIBITOR ICP47

(Homo sapiens;
Human
alphaherpesvirus
1) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane)
PF05363
(Herpes_US12) 		4 LEU B 259
ALA B 439
ASN X  30
ALA X   4
 None
 0.70A 4wboB-5u1dB:
undetectable		 4wboB-5u1dB:
22.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uuu BETA-ADRENERGIC
RECEPTOR KINASE 1

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		4 ALA A 218
ASN A 275
LEU A 324
SER A 334
 QRW  A 601 (-3.4A)
MES  A 604 (-3.8A)
None
QRW  A 601 ( 3.7A)
 0.58A 4wboB-5uuuA:
37.3		 4wboB-5uuuA:
34.39
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.
5vil MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5

(Homo sapiens) 		no annotation 4 ALA A 707
MET A 754
LEU A 810
SER A 821
 9E1  A1001 (-3.5A)
9E1  A1001 (-2.8A)
9E1  A1001 (-4.5A)
9E1  A1001 (-2.7A)
 0.46A 4wboB-5vilA:
22.6		 4wboB-5vilA:
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.
5vil MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 5

(Homo sapiens) 		no annotation 4 LEU A 686
ALA A 707
MET A 754
LEU A 810
 9E1  A1001 (-3.7A)
9E1  A1001 (-3.5A)
9E1  A1001 (-2.8A)
9E1  A1001 (-4.5A)
 0.62A 4wboB-5vilA:
22.6		 4wboB-5vilA:
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.
5wnm RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 4

(Mus musculus) 		no annotation 4 ALA A  49
MET A  96
LEU A 150
SER A 160
 VX6  A 402 (-3.2A)
VX6  A 402 (-3.7A)
VX6  A 402 (-4.4A)
VX6  A 402 (-3.3A)
 0.64A 4wboB-5wnmA:
21.5		 4wboB-5wnmA:
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.
6fek PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE RECEPTOR RET

(Homo sapiens) 		no annotation 4 LEU A 730
ALA A 756
LEU A 881
SER A 891
 ADN  A1104 ( 4.0A)
ADN  A1104 (-3.4A)
ADN  A1104 (-4.3A)
ADN  A1104 ( 4.8A)
 0.78A 4wboB-6fekA:
24.6		 4wboB-6fekA:
undetectable