SIMILAR PATTERNS OF AMINO ACIDS FOR 3S53_A_017A201_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.
1aip ELONGATION FACTOR TS

(Thermus
thermophilus) 		PF00889
(EF_TS) 		5 GLY C  15
ALA C  16
ASP C  20
GLY C 181
ILE C 180
 None
 0.99A 3s53A-1aipC:
undetectable		 3s53A-1aipC:
18.50
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.
1bkb TRANSLATION
INITIATION FACTOR 5A

(Pyrobaculum
aerophilum) 		PF01287
(eIF-5a)
PF08207
(EFP_N) 		5 ALA A  81
ASP A  95
ILE A 102
ILE A 135
ILE A  91
 None
 0.86A 3s53A-1bkbA:
undetectable		 3s53A-1bkbA:
20.28
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.
1bxz NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 GLY A 211
ALA A 212
ASP A 214
ILE A 195
GLY A 192
ILE A 240
 None
 1.17A 3s53A-1bxzA:
undetectable		 3s53A-1bxzA:
15.48
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 ASP A 168
ASP A 166
ILE A 165
ILE A 309
ILE A 281
 ZN  A 501 ( 2.3A)
None
None
None
None
 1.01A 3s53A-1c3rA:
undetectable		 3s53A-1c3rA:
13.21
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		5 GLY A 194
ILE A 114
GLY A  90
ILE A  93
ILE A 179
 None
 0.97A 3s53A-1e19A:
undetectable		 3s53A-1e19A:
15.29
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.
1ghh DNA-DAMAGE-INDUCIBLE
PROTEIN I

(Escherichia
coli) 		PF06183
(DinI) 		5 GLY A  54
ALA A  55
ASP A  59
ILE A  63
GLY A  38
 None
 0.95A 3s53A-1ghhA:
undetectable		 3s53A-1ghhA:
23.23
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		5 ASP A 115
GLY A 144
ASP A 146
ILE A 112
GLY A 476
 None
CA  A 700 (-3.9A)
CA  A 700 (-3.2A)
None
None
 1.01A 3s53A-1h3gA:
undetectable		 3s53A-1h3gA:
9.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
 0.79A 3s53A-1hvcA:
13.1		 3s53A-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.6A)
 0.80A 3s53A-1hvcA:
13.1		 3s53A-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.46A 3s53A-1hvcA:
13.1		 3s53A-1hvcA:
45.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.47A 3s53A-1hvcA:
13.1		 3s53A-1hvcA:
45.32
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.
1jqb NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A1211
ALA A1212
ASP A1214
GLY A1192
ILE A1240
 None
 0.95A 3s53A-1jqbA:
undetectable		 3s53A-1jqbA:
16.52
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.
1ldn L-LACTATE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASP A  46
GLY A  20
ALA A  21
ASP A  90
ILE A  44
 None
 0.99A 3s53A-1ldnA:
undetectable		 3s53A-1ldnA:
16.51
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.
1nnl L-3-PHOSPHOSERINE
PHOSPHATASE

(Homo sapiens) 		PF00702
(Hydrolase) 		5 GLY A 180
ASP A  20
ILE A 194
GLY A 197
ILE A 201
 None
CA  A2001 (-2.3A)
None
None
None
 0.92A 3s53A-1nnlA:
undetectable		 3s53A-1nnlA:
18.22
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.
1nnt OVOTRANSFERRIN

(Gallus gallus) 		PF00405
(Transferrin) 		5 GLY A  68
ALA A  67
ILE A  57
GLY A  61
ILE A  77
 None
 0.91A 3s53A-1nntA:
undetectable		 3s53A-1nntA:
15.09
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.
1pfx FACTOR IXA

(Sus scrofa) 		PF00008
(EGF)
PF00594
(Gla)
PF14670
(FXa_inhibition) 		5 GLY L  76
ALA L  86
ASP L  85
ILE L  90
GLY L  79
 None
 0.93A 3s53A-1pfxL:
undetectable		 3s53A-1pfxL:
15.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.47A 3s53A-1q9pA:
9.6		 3s53A-1q9pA:
96.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  82
 None
 1.31A 3s53A-1sivA:
17.7		 3s53A-1sivA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
ILE A  82
 None
 0.55A 3s53A-1sivA:
17.7		 3s53A-1sivA:
53.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  48
ILE A  82
 None
 0.78A 3s53A-1sivA:
17.7		 3s53A-1sivA:
53.54
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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		6 ASP A 183
GLY A 184
ALA A 185
GLY A  74
ILE A  72
ILE A 101
 None
 1.05A 3s53A-1svvA:
undetectable		 3s53A-1svvA:
14.38
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 GLY A 244
ALA A 243
ILE A 259
GLY A 250
ILE A 143
 SO4  A 373 (-3.5A)
SO4  A 373 ( 4.2A)
None
None
None
 0.86A 3s53A-1to6A:
undetectable		 3s53A-1to6A:
16.57
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.
1v9l GLUTAMATE
DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 320
ALA A 321
ILE A 300
GLY A 217
ILE A 304
 None
NAD  A 430 (-3.8A)
NAD  A 430 (-4.2A)
NAD  A 430 (-3.5A)
None
 1.01A 3s53A-1v9lA:
undetectable		 3s53A-1v9lA:
14.22
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.
1vft ALANINE RACEMASE

(Streptomyces
lavendulae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 340
ASP A  13
ILE A  12
GLY A 231
ILE A 367
 None
 1.01A 3s53A-1vftA:
undetectable		 3s53A-1vftA:
12.44
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.
1xn9 30S RIBOSOMAL
PROTEIN S24E

(Methanosarcina
mazei) 		PF01282
(Ribosomal_S24e) 		5 ASP A  20
ASP A   8
ILE A   5
ILE A  52
ILE A  22
 None
 1.01A 3s53A-1xn9A:
undetectable		 3s53A-1xn9A:
18.75
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.
2dws COPPER-CONTAINING
NITRITE REDUCTASE

(Rhodobacter
sphaeroides) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 GLY A 254
ALA A 255
GLY A 347
ILE A 250
ILE A 217
 None
 0.91A 3s53A-2dwsA:
undetectable		 3s53A-2dwsA:
16.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  54
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
 0.76A 3s53A-2fmbA:
14.9		 3s53A-2fmbA:
30.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
 0.21A 3s53A-2fmbA:
14.9		 3s53A-2fmbA:
30.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j87 THYMIDINE KINASE

(Vaccinia virus) 		PF00265
(TK) 		5 GLY A  84
ASP A  82
ILE A 105
ILE A  10
ILE A   6
 None
TTP  A 300 (-3.0A)
None
None
None
 0.90A 3s53A-2j87A:
undetectable		 3s53A-2j87A:
21.02
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.
2m60 ENTEROCIN JSB

(Enterococcus
faecalis) 		no annotation 5 GLY A   2
ALA A   3
ILE A  36
GLY A  28
ILE A  16
 None
 0.87A 3s53A-2m60A:
undetectable		 3s53A-2m60A:
20.43
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 GLY A 177
ALA A 178
ILE A 181
GLY A 188
ILE A 173
 None
 0.94A 3s53A-2pa6A:
undetectable		 3s53A-2pa6A:
10.96
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.
2ph5 HOMOSPERMIDINE
SYNTHASE

(Legionella
pneumophila) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 GLY A 107
ALA A 108
ASP A  85
GLY A  78
ILE A 100
 None
 1.00A 3s53A-2ph5A:
undetectable		 3s53A-2ph5A:
12.45
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.
2qde MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Aromatoleum
aromaticum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 175
GLY A 169
ALA A 168
ILE A 220
GLY A 198
 None
 0.98A 3s53A-2qdeA:
undetectable		 3s53A-2qdeA:
14.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.33A 3s53A-2rkfA:
19.5		 3s53A-2rkfA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  48
 AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
 0.82A 3s53A-2rkfA:
19.5		 3s53A-2rkfA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A  44
 None
 0.24A 3s53A-2rspA:
12.7		 3s53A-2rspA:
33.60
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.
3bc8 O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Mus musculus) 		PF05889
(SepSecS) 		5 ASP A  62
GLY A 110
GLY A  96
ILE A  95
ILE A  92
 None
 0.99A 3s53A-3bc8A:
undetectable		 3s53A-3bc8A:
12.93
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.
3c8t FUMARATE LYASE

(Chelativorans
sp. BNC1) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 GLY A 341
ALA A 343
ASP A  27
GLY A 132
ILE A 129
 None
 0.93A 3s53A-3c8tA:
undetectable		 3s53A-3c8tA:
11.67
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.
3dh0 SAM DEPENDENT
METHYLTRANSFERASE

(Aquifex
aeolicus) 		PF13847
(Methyltransf_31) 		5 GLY A 172
ALA A 171
ASP A 170
GLY A 165
ILE A 110
 None
 1.01A 3s53A-3dh0A:
undetectable		 3s53A-3dh0A:
19.00
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.
3fpl NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 211
ALA A 212
ASP A 214
GLY A 192
ILE A 240
 None
 0.95A 3s53A-3fplA:
undetectable		 3s53A-3fplA:
15.67
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.
3fsr NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Clostridium
beijerinckii;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 211
ALA A 212
ASP A 214
GLY A 192
ILE A 240
 None
 0.90A 3s53A-3fsrA:
undetectable		 3s53A-3fsrA:
15.81
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY B 977
ASP A 489
ASP A 491
ILE A 359
ILE B 965
 None
 1.01A 3s53A-3h0gB:
undetectable		 3s53A-3h0gB:
5.96
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.
3huu TRANSCRIPTION
REGULATOR LIKE
PROTEIN

(Staphylococcus
haemolyticus) 		PF13377
(Peripla_BP_3) 		5 GLY A  84
ILE A 120
GLY A 263
ILE A  47
ILE A 109
 None
 0.98A 3s53A-3huuA:
undetectable		 3s53A-3huuA:
15.69
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.74A 3s53A-3i5gA:
undetectable		 3s53A-3i5gA:
7.76
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A  16
ALA A  17
ASP A  21
GLY A 126
ILE A 125
 None
 0.93A 3s53A-3mmpA:
undetectable		 3s53A-3mmpA:
10.02
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.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 GLY A 121
ALA A 118
ASP A 119
GLY A 454
ILE A 469
 None
None
ZN  A 492 ( 2.4A)
None
None
 0.89A 3s53A-3mruA:
undetectable		 3s53A-3mruA:
12.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 None
 0.72A 3s53A-3mwsA:
18.7		 3s53A-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 0.29A 3s53A-3mwsA:
18.7		 3s53A-3mwsA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n05 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Streptomyces
avermitilis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 GLY A 432
ILE A 329
GLY A 334
ILE A 335
ILE A 343
 None
 0.87A 3s53A-3n05A:
undetectable		 3s53A-3n05A:
9.14
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 5 ASP A 122
GLY A 118
ALA A 117
ILE A 143
GLY A 156
 CA  A 404 ( 2.4A)
CA  A 404 (-4.1A)
CA  A 405 (-4.7A)
None
CA  A 406 (-4.0A)
 0.97A 3s53A-3p4gA:
undetectable		 3s53A-3p4gA:
14.15
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.
3qk8 ENOYL-COA HYDRATASE
ECHA15

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 GLY A 118
ALA A 117
ILE A  75
GLY A 139
ILE A 137
 None
UNL  A 291 ( 3.3A)
None
None
None
 0.91A 3s53A-3qk8A:
undetectable		 3s53A-3qk8A:
18.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.24A 3s53A-3t3cA:
17.8		 3s53A-3t3cA:
72.73
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.
3tkt CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 GLY A 227
ALA A 229
ILE A 244
GLY A 173
ILE A 264
 None
 0.95A 3s53A-3tktA:
undetectable		 3s53A-3tktA:
13.90
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.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		6 ALA A 245
ASP A 244
ILE A 284
GLY A 311
ILE A 314
ILE A 269
 None
MG  A 430 (-2.8A)
None
None
None
None
 1.35A 3s53A-3tqpA:
undetectable		 3s53A-3tqpA:
15.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.49A 3s53A-3ttpA:
18.6		 3s53A-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  48
 017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
None
 0.78A 3s53A-3ttpA:
18.6		 3s53A-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  48
 017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
None
017  A 202 ( 4.6A)
 0.77A 3s53A-3u7sA:
18.6		 3s53A-3u7sA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.33A 3s53A-3u7sA:
18.6		 3s53A-3u7sA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
 None
 0.23A 3s53A-3uhlA:
15.5		 3s53A-3uhlA:
81.82
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.
3wd8 TYPE III POLYKETIDE
SYNTHASE QUINOLONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 131
ASP A 192
ILE A 193
GLY A 106
ILE A  99
 None
 0.99A 3s53A-3wd8A:
undetectable		 3s53A-3wd8A:
12.96
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.
4a5o BIFUNCTIONAL PROTEIN
FOLD

(Pseudomonas
aeruginosa) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ALA A 162
ASP A 161
ASP A 204
GLY A 183
ILE A 146
 None
 0.96A 3s53A-4a5oA:
undetectable		 3s53A-4a5oA:
15.73
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.
4bk1 PROBABLE SALICYLATE
MONOOXYGENASE

(Rhodococcus
jostii) 		PF01494
(FAD_binding_3) 		6 GLY A 209
ALA A  82
ASP A  81
GLY A 206
ILE A 215
ILE A 264
 None
None
None
P3A  A1399 ( 4.6A)
P3A  A1399 (-4.4A)
None
 1.40A 3s53A-4bk1A:
undetectable		 3s53A-4bk1A:
13.49
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.
4db5 TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
18

(Oryctolagus
cuniculus) 		no annotation 5 GLY A  41
ASP A  91
ASP A  94
ILE A  96
ILE A  87
 None
B3P  A 201 (-4.9A)
None
None
None
 0.92A 3s53A-4db5A:
undetectable		 3s53A-4db5A:
23.20
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.
4f0j PROBABLE HYDROLYTIC
ENZYME

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		6 GLY A  93
ALA A  90
ASP A  91
ASP A  87
ILE A  86
ILE A  97
 None
 1.30A 3s53A-4f0jA:
undetectable		 3s53A-4f0jA:
15.46
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.
4fsf PENICILLIN-BINDING
PROTEIN 3

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 GLY A 382
ILE A 287
GLY A 177
ILE A 178
ILE A 416
 None
 0.99A 3s53A-4fsfA:
undetectable		 3s53A-4fsfA:
12.85
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.
4h1s 5'-NUCLEOTIDASE

(Homo sapiens) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A  89
ASP A 121
GLY A 393
ILE A 394
ILE A 525
 None
 0.93A 3s53A-4h1sA:
undetectable		 3s53A-4h1sA:
10.90
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.
4jip GTN REDUCTASE

(Agrobacterium
tumefaciens) 		PF00724
(Oxidored_FMN) 		5 GLY A 223
ALA A 224
GLY A  11
ILE A  13
ILE A 229
 None
 0.94A 3s53A-4jipA:
undetectable		 3s53A-4jipA:
13.71
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.
4kt7 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Anaerococcus
prevotii) 		PF01128
(IspD) 		6 GLY A 108
ALA A  13
ASP A  61
ILE A  65
ILE A  39
ILE A  76
 None
 1.48A 3s53A-4kt7A:
undetectable		 3s53A-4kt7A:
18.70
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.
4lgv GLUCOSE-6-PHOSPHATE
1-DEHYDROGENASE

(Mycobacterium
avium) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 GLY A  88
ASP A  49
ILE A  51
GLY A  45
ILE A  44
 None
 0.98A 3s53A-4lgvA:
undetectable		 3s53A-4lgvA:
11.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.70A 3s53A-4njvA:
18.5		 3s53A-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.46A 3s53A-4njvA:
18.5		 3s53A-4njvA:
82.83
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.
4qnw CHANOCLAVINE-I
ALDEHYDE REDUCTASE

(Aspergillus
fumigatus) 		PF00724
(Oxidored_FMN) 		5 GLY A 218
ALA A 219
ASP A 256
GLY A  17
ILE A 172
 None
 0.98A 3s53A-4qnwA:
undetectable		 3s53A-4qnwA:
15.14
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.
4qnx TRNA
(MO5U34)-METHYLTRANS
FERASE

(Escherichia
coli) 		PF08003
(Methyltransf_9) 		5 ASP A 152
GLY A 132
ASP A 128
ILE A 181
GLY A 197
 None
None
None
SO4  A 402 (-4.0A)
SO4  A 401 (-3.3A)
 0.93A 3s53A-4qnxA:
undetectable		 3s53A-4qnxA:
15.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgh PROTEIN DDI1 HOMOLOG
2

(Homo sapiens) 		PF09668
(Asp_protease) 		5 ASP A 220
GLY A 222
ALA A 223
ILE A 227
GLY A 252
 None
 0.82A 3s53A-4rghA:
10.4		 3s53A-4rghA:
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ASP A 179
ASP A 187
ILE A 198
GLY A 260
ILE A 214
 None
 0.92A 3s53A-4tqkA:
undetectable		 3s53A-4tqkA:
15.05
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ASP A 290
GLY A 295
ASP A 235
ILE A 288
GLY A 316
 None
 0.84A 3s53A-4tqkA:
undetectable		 3s53A-4tqkA:
15.05
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 ALA A 175
ASP A 176
ASP A 177
GLY A  12
ILE A 118
 None
 0.89A 3s53A-4ttpA:
undetectable		 3s53A-4ttpA:
15.81
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.
4ud8 FAD-BINDING AND BBE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 191
ALA A 192
ILE A 158
GLY A 185
ILE A 244
 None
FAD  A 601 (-4.3A)
None
FAD  A 601 (-3.6A)
FAD  A 601 (-3.8A)
 0.90A 3s53A-4ud8A:
undetectable		 3s53A-4ud8A:
12.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.39A 3s53A-4ydfA:
12.5		 3s53A-4ydfA:
33.04
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.
4ynn PROTEASE DO

(Legionella
pneumophila) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 GLY A 377
ASP A 393
ILE A 395
GLY A 384
ILE A 406
 None
 0.91A 3s53A-4ynnA:
undetectable		 3s53A-4ynnA:
13.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.61A 3s53A-5b18A:
16.9		 3s53A-5b18A:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
 None
 0.33A 3s53A-5b18A:
16.9		 3s53A-5b18A:
75.76
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.
5c9d APRICK PROTEASE

(Rickettsia
conorii) 		PF13975
(gag-asp_proteas) 		5 ASP A 140
GLY A 142
ALA A 143
ASP A 145
ILE A 206
 None
 0.77A 3s53A-5c9dA:
8.6		 3s53A-5c9dA:
21.32
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.
5doo PROTEIN LYSINE
METHYLTRANSFERASE 2

(Rickettsia
typhi) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		5 ASP A  74
GLY A  53
ASP A  49
ILE A 102
GLY A 119
 None
 0.89A 3s53A-5dooA:
undetectable		 3s53A-5dooA:
12.15
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.
5fmg PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 GLY N 117
ILE N 176
GLY N  53
ILE N  43
ILE N  15
 None
 0.83A 3s53A-5fmgN:
undetectable		 3s53A-5fmgN:
15.97
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.
5fux THYMDINE KINASE

(Trypanosoma
brucei) 		PF00265
(TK) 		5 GLY A 287
ASP A 285
ILE A 308
ILE A 211
ILE A 207
 None
MG  A1385 ( 4.3A)
None
None
None
 0.91A 3s53A-5fuxA:
undetectable		 3s53A-5fuxA:
18.82
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.
5j90 RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12741
(SusD-like) 		5 ASP A  76
GLY A 450
ILE A 336
ILE A 345
ILE A 276
 None
 0.95A 3s53A-5j90A:
undetectable		 3s53A-5j90A:
10.83
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.
5j90 RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12741
(SusD-like) 		5 GLY A 446
ALA A 445
ILE A 379
ILE A 292
ILE A 438
 None
 0.90A 3s53A-5j90A:
undetectable		 3s53A-5j90A:
10.83
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.
5kzm TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Francisella
tularensis) 		PF00290
(Trp_syntA) 		5 GLY A 123
ALA A 122
ASP A 121
ILE A 127
ILE A  26
 None
 0.97A 3s53A-5kzmA:
undetectable		 3s53A-5kzmA:
17.10
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 220
ALA A 171
ILE A 215
GLY A 206
ILE A 205
 None
 0.78A 3s53A-5ldnA:
undetectable		 3s53A-5ldnA:
7.80
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.
5m6p TYROCIDINE SYNTHASE
2

(Brevibacillus
parabrevis) 		no annotation 5 GLY A3377
ALA A3379
ASP A3382
ILE A3553
ILE A3525
 None
 0.91A 3s53A-5m6pA:
undetectable		 3s53A-5m6pA:
14.58
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.
5mpd 26S PROTEASOME
REGULATORY SUBUNIT
RPN2

(Saccharomyces
cerevisiae) 		PF01851
(PC_rep)
PF13646
(HEAT_2) 		5 GLY N 698
ALA N 699
GLY N 704
ILE N 705
ILE N 678
 None
 0.94A 3s53A-5mpdN:
undetectable		 3s53A-5mpdN:
6.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.42A 3s53A-5t2zA:
19.6		 3s53A-5t2zA:
78.79
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.
5w1a MYOSIN HEAVY CHAIN,
MUSCLE

(Drosophila
melanogaster) 		no annotation 5 GLY A 259
ALA A 260
ASP A 261
GLY A 457
ILE A 456
 None
 0.92A 3s53A-5w1aA:
undetectable		 3s53A-5w1aA:
19.42
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 5 GLY A 422
ASP A 424
ASP A 425
GLY A 379
ILE A 383
 None
 0.91A 3s53A-5wp5A:
undetectable		 3s53A-5wp5A:
12.63
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.
5yrx NUCLEOID-ASSOCIATED
PROTEIN RV3716C

(Mycobacterium
tuberculosis) 		no annotation 5 GLY A  76
ALA A  77
ASP A  80
GLY A  39
ILE A  57
 None
 0.97A 3s53A-5yrxA:
undetectable		 3s53A-5yrxA:
20.43
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 ASP A  30
GLY A  32
ALA A  33
ASP A  34
ILE A  37
GLY A  58
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 ( 4.8A)
3TL  A 201 (-3.4A)
 0.38A 3s53A-6fivA:
15.2		 3s53A-6fivA:
29.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  48
ILE A  82
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
None
NIU  A 100 (-4.6A)
 0.98A 3s53A-6upjA:
16.9		 3s53A-6upjA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.79A 3s53A-6upjA:
16.9		 3s53A-6upjA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
ILE A  82
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
NIU  A 100 (-4.6A)
 0.53A 3s53A-6upjA:
16.9		 3s53A-6upjA:
52.53