SIMILAR PATTERNS OF AMINO ACIDS FOR 3JWQ_D_VIAD901_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dxe 2-DEHYDRO-3-DEOXY-GA
LACTARATE ALDOLASE

(Escherichia
coli) 		PF03328
(HpcH_HpaI) 		5 ARG A 128
ALA A  51
LEU A  65
GLN A  61
PHE A  58
 None
 1.39A 3jwqA-1dxeA:
undetectable
3jwqD-1dxeA:
undetectable		 3jwqA-1dxeA:
20.36
3jwqD-1dxeA:
20.36
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.
1hjv CHITINASE-3 LIKE
PROTEIN 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 ARG A 117
LEU A 153
ALA A  59
PHE A 161
PHE A 119
 SO4  A1386 (-4.2A)
None
None
None
None
 1.18A 3jwqA-1hjvA:
undetectable
3jwqD-1hjvA:
undetectable		 3jwqA-1hjvA:
22.05
3jwqD-1hjvA:
22.05
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.
1jr7 HYPOTHETICAL 37.4
KDA PROTEIN IN
ILEY-GABD INTERGENIC
REGION

(Escherichia
coli) 		PF08943
(CsiD) 		5 ARG A 294
TYR A 165
ALA A 129
MET A 157
LEU A 150
 None
 1.43A 3jwqA-1jr7A:
undetectable
3jwqD-1jr7A:
undetectable		 3jwqA-1jr7A:
21.63
3jwqD-1jr7A:
21.63
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 ARG A 126
LEU A 133
ALA A 143
PHE A 109
LEU A 115
 None
 1.18A 3jwqA-1lq2A:
undetectable
3jwqD-1lq2A:
undetectable		 3jwqA-1lq2A:
18.91
3jwqD-1lq2A:
18.91
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.
1ml4 ASPARTATE
TRANSCARBAMOYLASE

(Pyrococcus
abyssi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 HIS A 135
LEU A 140
ALA A 114
PHE A  62
LEU A  47
 PAL  A 385 (-3.9A)
None
None
None
None
 1.46A 3jwqA-1ml4A:
undetectable
3jwqD-1ml4A:
undetectable		 3jwqA-1ml4A:
22.10
3jwqD-1ml4A:
22.10
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 GLN A 962
TYR A 736
HIS A 737
LEU A 984
GLN A 988
 None
IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 (-3.3A)
 1.47A 3jwqA-1sojA:
37.4
3jwqD-1sojA:
37.1		 3jwqA-1sojA:
24.24
3jwqD-1sojA:
24.24
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 736
HIS A 737
LEU A 895
LEU A 984
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 1.07A 3jwqA-1sojA:
37.4
3jwqD-1sojA:
37.1		 3jwqA-1sojA:
24.24
3jwqD-1sojA:
24.24
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 736
HIS A 737
LEU A 895
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.45A 3jwqA-1sojA:
37.4
3jwqD-1sojA:
37.1		 3jwqA-1sojA:
24.24
3jwqD-1sojA:
24.24
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 TYR A 692
HIS A 689
LEU A 671
LEU A 632
PHE A 639
 None
 1.31A 3jwqA-1z8lA:
3.0
3jwqD-1z8lA:
3.0		 3jwqA-1z8lA:
18.08
3jwqD-1z8lA:
18.08
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.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 211
HIS A 212
PHE A 384
GLN A 413
PHE A 416
 IBM  A 503 (-4.6A)
None
IBM  A 503 (-4.5A)
IBM  A 503 (-3.0A)
IBM  A 503 (-3.4A)
 0.61A 3jwqA-1zklA:
38.1
3jwqD-1zklA:
37.7		 3jwqA-1zklA:
27.69
3jwqD-1zklA:
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.
2jgq TRIOSEPHOSPHATE
ISOMERASE

(Helicobacter
pylori) 		PF00121
(TIM) 		5 TYR A 194
HIS A 179
LEU A 140
ALA A 163
LEU A  87
 None
 1.19A 3jwqA-2jgqA:
undetectable
3jwqD-2jgqA:
undetectable		 3jwqA-2jgqA:
24.46
3jwqD-2jgqA:
24.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 371
HIS A 372
PHE A 552
MET A 569
GLN A 581
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
 0.84A 3jwqA-2qykA:
39.2
3jwqD-2qykA:
38.8		 3jwqA-2qykA:
29.07
3jwqD-2qykA:
29.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		5 TYR A 680
HIS A 681
LEU A 883
GLN A 887
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
None
IBM  A   3 (-3.3A)
IBM  A   3 (-3.6A)
 1.14A 3jwqA-2r8qA:
40.5
3jwqD-2r8qA:
40.0		 3jwqA-2r8qA:
31.58
3jwqD-2r8qA:
31.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		6 TYR A 680
HIS A 681
PHE A 857
MET A 874
GLN A 887
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
IBM  A   3 (-4.9A)
IBM  A   3 ( 3.8A)
IBM  A   3 (-3.3A)
IBM  A   3 (-3.6A)
 0.77A 3jwqA-2r8qA:
40.5
3jwqD-2r8qA:
40.0		 3jwqA-2r8qA:
31.58
3jwqD-2r8qA:
31.58
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		5 ARG A 108
ALA A 216
PHE A 103
LEU A  71
PHE A 112
 None
 1.31A 3jwqA-3a2qA:
undetectable
3jwqD-3a2qA:
undetectable		 3jwqA-3a2qA:
21.08
3jwqD-3a2qA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b2r CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 612
HIS A 613
LEU A 725
ALA A 767
PHE A 786
GLN A 817
PHE A 820
 VDN  A   1 (-4.8A)
VDN  A   1 (-4.3A)
None
VDN  A   1 ( 3.8A)
None
VDN  A   1 (-3.0A)
VDN  A   1 (-3.6A)
 0.52A 3jwqA-3b2rA:
45.0
3jwqD-3b2rA:
44.6		 3jwqA-3b2rA:
93.33
3jwqD-3b2rA:
93.33
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.
3bj1 HEMOGLOBIN ALPHA
HEMOGLOBIN BETA

(Perca
flavescens) 		PF00042
(Globin) 		5 ARG A  31
GLN B 131
ALA B  26
PHE B 130
LEU B 118
 None
 1.37A 3jwqA-3bj1A:
undetectable
3jwqD-3bj1A:
undetectable		 3jwqA-3bj1A:
19.58
3jwqD-3bj1A:
19.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 612
HIS A 613
LEU A 725
ALA A 767
PHE A 786
GLN A 817
PHE A 820
 None
MG  A 877 (-4.4A)
None
WAN  A 901 ( 3.9A)
WAN  A 901 (-4.8A)
WAN  A 901 (-3.1A)
WAN  A 901 (-3.7A)
 0.44A 3jwqA-3bjcA:
47.8
3jwqD-3bjcA:
47.3		 3jwqA-3bjcA:
35.69
3jwqD-3bjcA:
35.69
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.
3ccy PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Bordetella
parapertussis) 		PF00440
(TetR_N) 		5 ARG A 136
GLN A 141
LEU A 142
ALA A 183
LEU A 131
 None
 1.26A 3jwqA-3ccyA:
undetectable
3jwqD-3ccyA:
undetectable		 3jwqA-3ccyA:
23.28
3jwqD-3ccyA:
23.28
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.
3f6t ASPARTATE
AMINOTRANSFERASE

(Lactobacillus
acidophilus) 		PF00155
(Aminotran_1_2) 		5 LEU A 153
ALA A 414
LEU A  48
GLN A  46
PHE A 314
 None
 1.36A 3jwqA-3f6tA:
undetectable
3jwqD-3f6tA:
undetectable		 3jwqA-3f6tA:
22.16
3jwqD-3f6tA:
22.16
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.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 325
HIS A 326
PHE A 506
GLN A 535
PHE A 538
 None
D71  A 901 (-4.5A)
D71  A 901 (-4.8A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.63A 3jwqA-3g4gA:
38.9
3jwqD-3g4gA:
38.6		 3jwqA-3g4gA:
25.94
3jwqD-3g4gA:
25.94
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		5 TYR A 655
HIS A 656
LEU A 770
GLN A 859
PHE A 862
 None
 0.69A 3jwqA-3ibjA:
38.5
3jwqD-3ibjA:
38.4		 3jwqA-3ibjA:
21.08
3jwqD-3ibjA:
21.08
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.
3n6z PUTATIVE
IMMUNOGLOBULIN A1
PROTEASE

(Bacteroides
ovatus) 		no annotation 5 ARG A 149
LEU A  93
ALA A 156
PHE A 141
LEU A 172
 None
 1.39A 3jwqA-3n6zA:
undetectable
3jwqD-3n6zA:
undetectable		 3jwqA-3n6zA:
19.43
3jwqD-3n6zA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 233
HIS A 234
PHE A 414
GLN A 443
PHE A 446
 None
None
ZG2  A 506 (-4.4A)
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.58A 3jwqA-3o57A:
39.1
3jwqD-3o57A:
38.8		 3jwqA-3o57A:
28.30
3jwqD-3o57A:
28.30
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.
3o5n SH3 AND MULTIPLE
ANKYRIN REPEAT
DOMAINS PROTEIN 3

(Mus musculus) 		PF00595
(PDZ) 		5 ARG A 725
GLN A 726
ALA A 696
LEU A 660
PHE A 656
 None
 1.09A 3jwqA-3o5nA:
undetectable
3jwqD-3o5nA:
undetectable		 3jwqA-3o5nA:
11.89
3jwqD-3o5nA:
11.89
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.
3rza TRIPEPTIDASE

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLN A 136
LEU A 157
ALA A  48
LEU A  31
GLN A  28
 None
None
CA  A 405 (-4.9A)
None
None
 1.45A 3jwqA-3rzaA:
undetectable
3jwqD-3rzaA:
undetectable		 3jwqA-3rzaA:
22.52
3jwqD-3rzaA:
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.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 159
HIS A 160
PHE A 340
MET A 357
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
PHE  A 340 (-1.3A)
MET  A 357 (-0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 1.01A 3jwqA-3sl5A:
39.2
3jwqD-3sl5A:
38.8		 3jwqA-3sl5A:
28.41
3jwqD-3sl5A:
28.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 524
HIS A 525
LEU A 635
PHE A 696
MET A 713
GLN A 726
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
None
C1L  A   1 ( 4.7A)
C1L  A   1 (-3.7A)
C1L  A   1 (-2.9A)
C1L  A   1 (-3.5A)
 0.69A 3jwqA-3ui7A:
44.3
3jwqD-3ui7A:
43.8		 3jwqA-3ui7A:
42.11
3jwqD-3ui7A:
42.11
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.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		6 TYR A 367
HIS A 368
ALA A 524
PHE A 542
GLN A 570
PHE A 573
 WYQ  A 701 (-4.5A)
None
None
WYQ  A 701 (-4.7A)
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
 0.74A 3jwqA-3v94A:
37.0
3jwqD-3v94A:
36.8		 3jwqA-3v94A:
27.67
3jwqD-3v94A:
27.67
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		5 GLN B 116
ALA B  85
MET B 183
GLN B 189
PHE B 110
 None
None
None
None
H2S  B 503 (-4.8A)
 1.42A 3jwqA-3ze7B:
undetectable
3jwqD-3ze7B:
undetectable		 3jwqA-3ze7B:
21.44
3jwqD-3ze7B:
21.44
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.
4dzt AQUALYSIN-1

(Thermus
aquaticus) 		PF00082
(Peptidase_S8) 		5 ARG A  16
GLN A  15
LEU A  18
ALA A 186
LEU A 197
 None
CA  A 302 (-3.5A)
None
None
None
 1.43A 3jwqA-4dztA:
undetectable
3jwqD-4dztA:
undetectable		 3jwqA-4dztA:
19.52
3jwqD-4dztA:
19.52
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.
4ea1 DEHYDROSQUALENE
SYNTHASE

(Staphylococcus
aureus) 		PF00494
(SQS_PSY) 		5 ARG A  34
GLN A  33
LEU A 145
ALA A 245
PHE A  26
 None
 1.35A 3jwqA-4ea1A:
2.7
3jwqD-4ea1A:
3.0		 3jwqA-4ea1A:
19.76
3jwqD-4ea1A:
19.76
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.
4gjh TNF
RECEPTOR-ASSOCIATED
FACTOR 5

(Mus musculus) 		no annotation 5 ARG A 429
GLN A 428
LEU A 500
PHE A 411
LEU A 432
 None
 1.39A 3jwqA-4gjhA:
undetectable
3jwqD-4gjhA:
undetectable		 3jwqA-4gjhA:
19.76
3jwqD-4gjhA:
19.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 655
HIS A 656
LEU A 770
PHE A 830
MET A 847
GLN A 859
PHE A 862
 None
 0.66A 3jwqA-4htzA:
44.3
3jwqD-4htzA:
43.9		 3jwqA-4htzA:
35.54
3jwqD-4htzA:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 655
HIS A 656
LEU A 770
PHE A 830
MET A 848
 None
 1.28A 3jwqA-4htzA:
44.3
3jwqD-4htzA:
43.9		 3jwqA-4htzA:
35.54
3jwqD-4htzA:
35.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		5 TYR A 668
HIS A 669
MET A 861
GLN A 874
PHE A 877
 None
 0.88A 3jwqA-4i15A:
39.4
3jwqD-4i15A:
39.0		 3jwqA-4i15A:
32.96
3jwqD-4i15A:
32.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		5 TYR A 668
HIS A 669
PHE A 844
MET A 861
PHE A 877
 None
 0.58A 3jwqA-4i15A:
39.4
3jwqD-4i15A:
39.0		 3jwqA-4i15A:
32.96
3jwqD-4i15A:
32.96
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.
4irx SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caulobacter
vibrioides) 		PF13407
(Peripla_BP_4) 		5 GLN A 278
HIS A 137
LEU A 306
MET A  55
LEU A  59
 INS  A 401 (-3.1A)
None
None
None
None
 1.48A 3jwqA-4irxA:
undetectable
3jwqD-4irxA:
undetectable		 3jwqA-4irxA:
24.31
3jwqD-4irxA:
24.31
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 ARG A  28
GLN A  23
LEU A  22
ALA A 163
LEU A 130
 None
 1.49A 3jwqA-4n9xA:
undetectable
3jwqD-4n9xA:
undetectable		 3jwqA-4n9xA:
21.50
3jwqD-4n9xA:
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.
4ntl LIPOPROTEIN, YAEC
FAMILY

(Enterococcus
faecalis) 		PF03180
(Lipoprotein_9) 		5 TYR A 228
HIS A  88
LEU A 184
PHE A 112
PHE A 200
 None
EDO  A 307 (-3.1A)
None
None
None
 1.30A 3jwqA-4ntlA:
undetectable
3jwqD-4ntlA:
undetectable		 3jwqA-4ntlA:
22.41
3jwqD-4ntlA:
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.
4q1l SNAKE VENOM
METALLOPROTEINASE
LEUCUROLYSIN-A

(Bothrops
leucurus) 		PF01421
(Reprolysin) 		5 GLN A 185
HIS A 142
ALA A 124
PHE A 178
MET A  47
 None
ZN  A 302 (-3.2A)
None
None
None
 1.47A 3jwqA-4q1lA:
undetectable
3jwqD-4q1lA:
undetectable		 3jwqA-4q1lA:
21.39
3jwqD-4q1lA:
21.39
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.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		5 GLN A  62
TYR A 346
ALA A 333
LEU A  27
PHE A  17
 None
 1.37A 3jwqA-4tmcA:
undetectable
3jwqD-4tmcA:
undetectable		 3jwqA-4tmcA:
21.16
3jwqD-4tmcA:
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.
4wxm TRANSCRIPTIONAL
REGULATOR FLEQ

(Pseudomonas
aeruginosa) 		PF06490
(FleQ) 		5 ARG A 125
GLN A 122
LEU A 118
ALA A  21
LEU A  46
 None
 1.44A 3jwqA-4wxmA:
undetectable
3jwqD-4wxmA:
undetectable		 3jwqA-4wxmA:
17.88
3jwqD-4wxmA:
17.88
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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 405
HIS A 406
PHE A 586
GLN A 615
PHE A 618
 None
MG  A 804 ( 4.9A)
None
None
None
 0.46A 3jwqA-4wziA:
39.0
3jwqD-4wziA:
38.9		 3jwqA-4wziA:
22.26
3jwqD-4wziA:
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.
5b25 CALCIUM/CALMODULIN-D
EPENDENT
3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 1B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 222
HIS A 223
PHE A 392
GLN A 421
PHE A 424
 None
4QJ  A 603 ( 4.9A)
GOL  A 607 (-3.9A)
4QJ  A 603 (-3.0A)
4QJ  A 603 (-3.5A)
 0.66A 3jwqA-5b25A:
37.8
3jwqD-5b25A:
37.5		 3jwqA-5b25A:
27.93
3jwqD-5b25A:
27.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 5 TYR A 668
HIS A 669
LEU A 871
GLN A 875
PHE A 878
 LLN  A1003 ( 4.8A)
None
LLN  A1003 (-4.9A)
LLN  A1003 (-3.0A)
LLN  A1003 (-3.8A)
 1.08A 3jwqA-5h2rA:
40.4
3jwqD-5h2rA:
39.9		 3jwqA-5h2rA:
34.86
3jwqD-5h2rA:
34.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 6 TYR A 668
HIS A 669
PHE A 845
MET A 862
GLN A 875
PHE A 878
 LLN  A1003 ( 4.8A)
None
LLN  A1003 (-4.6A)
LLN  A1003 (-3.5A)
LLN  A1003 (-3.0A)
LLN  A1003 (-3.8A)
 0.71A 3jwqA-5h2rA:
40.4
3jwqD-5h2rA:
39.9		 3jwqA-5h2rA:
34.86
3jwqD-5h2rA:
34.86
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 6 TYR A 405
HIS A 406
PHE A 586
MET A 603
GLN A 615
PHE A 618
 None
None
9VE  A 801 (-3.6A)
9VE  A 801 (-3.6A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 0.72A 3jwqA-5ohjA:
39.2
3jwqD-5ohjA:
39.0		 3jwqA-5ohjA:
13.64
3jwqD-5ohjA:
13.64
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 6 TYR A 159
HIS A 160
PHE A 340
MET A 357
GLN A 369
PHE A 372
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 (-4.5A)
AKJ  A 601 (-3.4A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 0.82A 3jwqA-5wh6A:
39.5
3jwqD-5wh6A:
39.1		 3jwqA-5wh6A:
undetectable
3jwqD-5wh6A:
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.
6ax8 METHIONINE-TRNA
LIGASE

(Mycobacterium
tuberculosis) 		no annotation 5 ARG A  33
HIS A 290
ALA A  11
LEU A  84
GLN A  81
 None
ME8  A 801 (-4.7A)
ME8  A 801 (-3.1A)
None
None
 1.49A 3jwqA-6ax8A:
undetectable
3jwqD-6ax8A:
undetectable		 3jwqA-6ax8A:
12.38
3jwqD-6ax8A:
12.38
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.
6bk5 UBIQUITIN LIGASE CBL

(Salpingoeca
rosetta) 		no annotation 5 GLN A 206
LEU A 205
ALA A 168
LEU A 281
PHE A 225
 None
 1.48A 3jwqA-6bk5A:
3.0
3jwqD-6bk5A:
3.2		 3jwqA-6bk5A:
13.83
3jwqD-6bk5A:
13.83