SIMILAR PATTERNS OF AMINO ACIDS FOR 4P66_A_MTXA201_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.
1c6v PROTEIN (SIV
INTEGRASE)

(Simian
immunodeficiency
virus) 		PF00665
(rve) 		5 ILE A 165
ALA A 169
LEU A 177
LEU A 158
ILE A 162
 None
 1.14A 4p66A-1c6vA:
undetectable		 4p66A-1c6vA:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  27
LEU A  55
ARG A  58
ILE A 100
THR A 121
 None
 0.46A 4p66A-1cz3A:
20.2		 4p66A-1cz3A:
30.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
None
None
None
HBI  A 198 ( 4.5A)
 0.35A 4p66A-1dr6A:
21.2		 4p66A-1dr6A:
33.16
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.
1eay CHEA

(Escherichia
coli) 		PF09078
(CheY-binding) 		5 ILE C 221
ALA C 210
LEU C 182
LEU C 175
ILE C 216
 None
 1.02A 4p66A-1eayC:
undetectable		 4p66A-1eayC:
17.72
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.
1fnn CELL DIVISION
CONTROL PROTEIN 6

(Pyrobaculum
aerophilum) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 ILE A  90
ALA A  88
LEU A 136
LEU A 128
ILE A  93
 None
 1.04A 4p66A-1fnnA:
undetectable		 4p66A-1fnnA:
18.09
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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ALA A 298
MET A 247
LEU A  80
ARG A 160
ILE A  34
 None
 1.13A 4p66A-1hp1A:
undetectable		 4p66A-1hp1A:
14.79
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
LEU A  37
LYS A  41
LEU A  63
ARG A  66
 None
 1.12A 4p66A-1juvA:
18.0		 4p66A-1juvA:
25.91
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		5 ASP A  36
LEU A  37
LYS A  41
LEU A  63
ILE A 127
 None
 1.14A 4p66A-1juvA:
18.0		 4p66A-1juvA:
25.91
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.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		5 ILE A 126
MET A 291
LEU A  46
ILE A 815
THR A 120
 UPL  A2014 ( 4.7A)
None
UPL  A2014 ( 4.2A)
UPL  A2014 ( 4.6A)
UPL  A2014 ( 3.9A)
 1.07A 4p66A-1lshA:
undetectable		 4p66A-1lshA:
8.63
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.
1lsh LIPOVITELLIN (LV-1N,
LV-1C)

(Ichthyomyzon
unicuspis) 		PF01347
(Vitellogenin_N)
PF09172
(DUF1943) 		5 MET A 291
LEU A  46
ILE A 815
TYR A 281
THR A 120
 None
UPL  A2014 ( 4.2A)
UPL  A2014 ( 4.6A)
None
UPL  A2014 ( 3.9A)
 0.82A 4p66A-1lshA:
undetectable		 4p66A-1lshA:
8.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.31A 4p66A-1u70A:
20.4		 4p66A-1u70A:
32.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
None
None
None
MXA  A 187 (-4.3A)
 0.33A 4p66A-1u71A:
20.8		 4p66A-1u71A:
31.91
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 300
ALA A 214
LEU A 204
ILE A 298
THR A 218
 None
 1.19A 4p66A-1v5fA:
undetectable		 4p66A-1v5fA:
16.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.50A 4p66A-1zdrA:
25.6		 4p66A-1zdrA:
39.88
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.
1zgd CHALCONE REDUCTASE

(Medicago sativa) 		PF00248
(Aldo_ket_red) 		5 ILE A  42
ALA A  40
LEU A  64
LEU A  82
ILE A  45
 None
 1.06A 4p66A-1zgdA:
undetectable		 4p66A-1zgdA:
19.49
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
ASP A  53
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.42A 4p66A-2blbA:
20.7		 4p66A-2blbA:
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.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 140
ALA A 302
LEU A 274
LEU A 286
THR A 305
 None
 1.20A 4p66A-2f00A:
undetectable		 4p66A-2f00A:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ASP A  48
LEU A  91
ARG A  94
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
 0.34A 4p66A-2h2qA:
20.1		 4p66A-2h2qA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ij9 URIDYLATE KINASE

(Archaeoglobus
fulgidus) 		PF00696
(AA_kinase) 		5 ILE A 187
ALA A 120
LEU A 163
ILE A 188
THR A 119
 None
 1.17A 4p66A-2ij9A:
undetectable		 4p66A-2ij9A:
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.
2ijx DNA POLYMERASE
SLIDING CLAMP A

(Sulfolobus
solfataricus) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ILE A  15
ALA A  25
LEU A  21
LEU A 207
ILE A  14
 None
 1.05A 4p66A-2ijxA:
undetectable		 4p66A-2ijxA:
22.67
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.
2lp4 CHEMOTAXIS PROTEIN
CHEA

(Escherichia
coli) 		PF01627
(Hpt)
PF09078
(CheY-binding) 		5 ILE A 221
ALA A 210
LEU A 182
LEU A 175
ILE A 216
 None
 1.02A 4p66A-2lp4A:
undetectable		 4p66A-2lp4A:
20.00
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
ASP A  32
LEU A  33
LEU A  67
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.51A 4p66A-2oipA:
21.6		 4p66A-2oipA:
16.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  29
LYS A  33
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.60A 4p66A-2qk8A:
25.4		 4p66A-2qk8A:
40.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 ALA A  11
ASP A  31
LEU A  32
LEU A  61
ARG A  64
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.47A 4p66A-2w3wA:
25.0		 4p66A-2w3wA:
34.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LYS A  32
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.54A 4p66A-2w9sA:
26.0		 4p66A-2w9sA:
37.89
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.
2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA

(Homo sapiens) 		PF01504
(PIP5K) 		5 ILE A 358
LEU A 361
LEU A 266
ILE A 357
TYR A 339
 PHD  A 359 ( 3.6A)
None
None
None
None
 1.17A 4p66A-2ybxA:
undetectable		 4p66A-2ybxA:
19.80
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.
3a1z HEMOLYMPH JUVENILE
HORMONE BINDING
PROTEIN

(Bombyx mori) 		PF06585
(JHBP) 		5 ILE A  60
ALA A  52
LEU A 185
LEU A 169
ILE A 103
 MPD  A 232 ( 4.4A)
None
None
None
None
 1.08A 4p66A-3a1zA:
undetectable		 4p66A-3a1zA:
21.28
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.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 ALA A  57
LEU A 334
ILE A 310
TYR A  34
THR A 328
 None
None
None
None
EDO  A 503 (-4.0A)
 1.10A 4p66A-3b5qA:
undetectable		 4p66A-3b5qA:
16.39
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
ASP A  26
LEU A  27
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.54A 4p66A-3dfrA:
24.4		 4p66A-3dfrA:
28.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
ASP A  54
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.30A 4p66A-3dg8A:
20.9		 4p66A-3dg8A:
23.05
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.
3f9k INTEGRASE

(Human
immunodeficiency
virus 2) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		5 ILE A 165
ALA A 169
LEU A 177
LEU A 158
ILE A 162
 None
 1.19A 4p66A-3f9kA:
undetectable		 4p66A-3f9kA:
20.63
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.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 ILE A 474
ALA A 472
LEU A 505
ILE A 499
TYR A  74
 None
 1.14A 4p66A-3foaA:
undetectable		 4p66A-3foaA:
14.26
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.
3hyn PUTATIVE SIGNAL
TRANSDUCTION PROTEIN

([Eubacterium]
rectale) 		no annotation 5 ILE A 112
MET A 100
LEU A  86
ILE A  83
THR A 154
 None
 1.20A 4p66A-3hynA:
undetectable		 4p66A-3hynA:
21.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA X   7
ASP X  27
LEU X  28
LYS X  32
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
None
None
None
N22  X 219 (-4.4A)
 0.63A 4p66A-3i8aX:
26.1		 4p66A-3i8aX:
36.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
MET A  21
LEU A  29
LEU A  55
ARG A  58
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.47A 4p66A-3ia4A:
28.4		 4p66A-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
MET A  21
LEU A  29
LYS A  33
ARG A  58
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.2A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.42A 4p66A-3ia4A:
28.4		 4p66A-3ia4A:
55.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ILE A   8
ALA A  10
LEU A  31
LYS A  35
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.62A 4p66A-3ix9A:
25.6		 4p66A-3ix9A:
35.26
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 ILE U 474
ALA U 472
LEU U 505
ILE U 499
TYR U  74
 None
 1.14A 4p66A-3j2nU:
undetectable		 4p66A-3j2nU:
12.80
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.
3j70 ENVELOPE
GLYCOPROTEIN GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE D 215
ALA D  55
LEU D  52
LEU D 483
ILE D 251
 None
 1.10A 4p66A-3j70D:
undetectable		 4p66A-3j70D:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k8p DSL1

(Kluyveromyces
lactis) 		PF11989
(Dsl1_C) 		5 ILE C 570
ALA C 568
LEU C 557
LEU C 549
ILE C 573
 None
 1.12A 4p66A-3k8pC:
undetectable		 4p66A-3k8pC:
16.48
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.
3kar KINESIN-LIKE PROTEIN
KAR3

(Saccharomyces
cerevisiae) 		PF00225
(Kinesin) 		5 ILE A 522
ALA A 628
LEU A 656
LEU A 684
ILE A 602
 None
 1.12A 4p66A-3karA:
undetectable		 4p66A-3karA:
16.38
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
None
 0.38A 4p66A-3kjrA:
21.3		 4p66A-3kjrA:
15.18
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.
3n7z ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ILE A 343
ALA A 345
LEU A 307
LEU A 291
ILE A 284
 None
 1.03A 4p66A-3n7zA:
undetectable		 4p66A-3n7zA:
17.48
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.
3ogj PRKG1 PROTEIN

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 146
ALA A 194
LEU A 204
ILE A 145
THR A 193
 CMP  A 250 ( 4.2A)
CMP  A 250 (-3.6A)
None
None
CMP  A 250 (-2.9A)
 1.08A 4p66A-3ogjA:
undetectable		 4p66A-3ogjA:
19.28
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.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		5 ILE A 239
ALA A 237
LEU A 250
LYS A 221
ILE A 204
 None
None
None
GKR  A 472 (-3.0A)
None
 1.00A 4p66A-3p0wA:
undetectable		 4p66A-3p0wA:
16.59
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.
3qt3 PUTATIVE
UNCHARACTERIZED
PROTEIN CPE0426

(Clostridium
perfringens) 		PF06824
(Glyco_hydro_125) 		5 ILE A 270
ALA A 235
LEU A 312
LEU A 306
ILE A 229
 None
 1.19A 4p66A-3qt3A:
undetectable		 4p66A-3qt3A:
17.02
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
ASP A  54
LEU A  90
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-4.8A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 1.42A 4p66A-3rg9A:
19.9		 4p66A-3rg9A:
27.50
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
ASP A  54
LEU A  97
ARG A 100
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.29A 4p66A-3rg9A:
19.9		 4p66A-3rg9A:
27.50
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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE A 130
ALA A 178
LEU A 188
ILE A 129
THR A 177
 CMP  A 401 (-4.1A)
CMP  A 401 (-3.8A)
None
None
CMP  A 401 (-2.8A)
 1.17A 4p66A-3shrA:
undetectable		 4p66A-3shrA:
19.26
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ILE A  40
ALA A  59
LEU A 128
LEU A  34
ILE A  72
 None
 1.03A 4p66A-3sutA:
undetectable		 4p66A-3sutA:
15.26
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.
3t7c CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ILE A  37
ALA A  15
LEU A 101
LEU A  97
ILE A  35
 None
 1.14A 4p66A-3t7cA:
undetectable		 4p66A-3t7cA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tih HIV-1 CLADE C
ZM109F.PB4 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE A 215
ALA A  55
LEU A  52
LEU A 483
ILE A 251
 None
 1.05A 4p66A-3tihA:
undetectable		 4p66A-3tihA:
16.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LYS A  33
LEU A  55
ARG A  58
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
None
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.35A 4p66A-3tq9A:
25.8		 4p66A-3tq9A:
43.37
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.
3u3g RIBONUCLEASE H

(uncultured
organism) 		no annotation 5 ILE D  25
LEU D  57
LEU D  67
ILE D   4
THR D   8
 None
 0.79A 4p66A-3u3gD:
undetectable		 4p66A-3u3gD:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
ASP A  54
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.33A 4p66A-3um6A:
20.9		 4p66A-3um6A:
13.23
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
LEU A  64
ARG A  67
ILE A 111
TYR A 117
THR A 133
 None
 0.52A 4p66A-3vcoA:
18.4		 4p66A-3vcoA:
28.86
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  28
LYS A  33
ILE A 111
TYR A 117
THR A 133
 None
 0.83A 4p66A-3vcoA:
18.4		 4p66A-3vcoA:
28.86
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.
3wlx LOW SPECIFICITY
L-THREONINE ALDOLASE

(Escherichia
coli) 		no annotation 5 ILE B 170
LEU B 249
LEU B 242
ILE B 193
THR B 138
 None
 0.97A 4p66A-3wlxB:
2.7		 4p66A-3wlxB:
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.
4ah6 ASPARTATE--TRNA
LIGASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 ALA A 262
LEU A 585
LEU A 300
ILE A 283
TYR A 258
 None
 1.16A 4p66A-4ah6A:
undetectable		 4p66A-4ah6A:
14.99
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ILE A 313
ALA A 311
LEU A 304
LEU A 281
ILE A 316
 None
 1.01A 4p66A-4cnkA:
undetectable		 4p66A-4cnkA:
15.82
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.
4cuk D-LACTATE
DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 147
LEU A 194
LEU A 215
ILE A 229
THR A 146
 None
 1.10A 4p66A-4cukA:
undetectable		 4p66A-4cukA:
17.46
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 329
ALA A 379
LEU A 389
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
PCG  A1423 (-3.0A)
 1.09A 4p66A-4d7sA:
undetectable		 4p66A-4d7sA:
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.
4fj4 UNCHARACTERIZED
PROTEIN

(Halobacterium
salinarum) 		PF07920
(DUF1684) 		5 ALA A  14
ASP A  10
LEU A 153
ILE A  19
THR A  11
 None
 1.10A 4p66A-4fj4A:
undetectable		 4p66A-4fj4A:
22.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ILE X  10
ALA X  12
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.33A 4p66A-4g8zX:
20.5		 4p66A-4g8zX:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
MET A  25
LYS A  37
LEU A  69
ARG A  72
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
None
None
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.71A 4p66A-4h96A:
18.2		 4p66A-4h96A:
31.79
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
LEU A  69
ARG A  72
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
None
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.29A 4p66A-4h98A:
19.3		 4p66A-4h98A:
29.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4io6 AVGLUR1 LIGAND
BINDING DOMAIN

(Adineta vaga) 		PF00497
(SBP_bac_3) 		5 ILE A 209
ASP A 222
LEU A 226
LEU A 234
ILE A 102
 None
 1.13A 4p66A-4io6A:
undetectable		 4p66A-4io6A:
18.47
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.
4lss ENVELOPE
GLYCOPROTEIN GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE G 215
ALA G  55
LEU G  52
LEU G 483
ILE G 251
 None
 1.10A 4p66A-4lssG:
undetectable		 4p66A-4lssG:
19.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
LEU A  50
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 1.43A 4p66A-4m2xA:
23.2		 4p66A-4m2xA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
LEU A  57
ARG A  60
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.31A 4p66A-4m2xA:
23.2		 4p66A-4m2xA:
34.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
LEU A  28
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.61A 4p66A-4m7vA:
25.1		 4p66A-4m7vA:
37.14
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.
4p63 PROBABLE
DEOXYHYPUSINE
SYNTHASE

(Pyrococcus
horikoshii) 		PF01916
(DS) 		5 ALA A 173
ASP A 240
LEU A 244
ILE A 207
THR A 172
 None
 1.06A 4p66A-4p63A:
undetectable		 4p66A-4p63A:
17.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
MET A  20
ASP A  27
LYS A  32
ARG A  57
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.26A 4p66A-4p68A:
31.2		 4p66A-4p68A:
98.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qwv HIGH-AFFINITY
LEUCINE-SPECIFIC
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN, CHEMOTAXIS
PROTEIN CHEY

(Escherichia
coli;
Thermotoga
maritima) 		PF00072
(Response_reg)
PF13458
(Peripla_BP_6) 		5 ILE A 271
MET A 220
LEU A 120
LEU A 310
ILE A 307
 None
 1.12A 4p66A-4qwvA:
undetectable		 4p66A-4qwvA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 5 ILE A 403
ASP A 349
LEU A 348
LEU A 391
ILE A 404
 None
 0.90A 4p66A-4rmxA:
undetectable		 4p66A-4rmxA:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 ILE A  22
ASP A  15
LEU A  51
ILE A  21
THR A 119
 None
MN  A 500 (-2.9A)
None
None
None
 1.14A 4p66A-4rpaA:
undetectable		 4p66A-4rpaA:
17.20
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.
4wyr ACETYL-COA
ACETYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ILE A 275
ALA A 273
MET A 365
LEU A  92
ILE A 387
 None
 1.17A 4p66A-4wyrA:
undetectable		 4p66A-4wyrA:
17.42
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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 5 ILE E 553
ASP E 534
LEU E 533
LEU E 631
ILE E 528
 None
 0.99A 4p66A-4xmmE:
undetectable		 4p66A-4xmmE:
9.45
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.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		5 ALA A  75
LEU A  40
LEU A  54
ILE A  60
THR A   9
 None
 1.07A 4p66A-4y0wA:
undetectable		 4p66A-4y0wA:
18.61
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.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 146
ALA A 194
LEU A 204
ILE A 145
THR A 193
 PCG  A 401 ( 4.1A)
PCG  A 401 (-3.8A)
None
None
PCG  A 401 (-2.8A)
 1.17A 4p66A-4z07A:
undetectable		 4p66A-4z07A:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.39A 4p66A-5dxvA:
17.4		 4p66A-5dxvA:
67.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
LEU A  45
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.57A 4p66A-5dxvA:
17.4		 4p66A-5dxvA:
67.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
LEU A  55
TYR A 101
THR A 114
 None
 0.51A 4p66A-5fdaA:
20.1		 4p66A-5fdaA:
80.00
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.
5fuu HIV-1 ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE A 215
ALA A  55
LEU A  52
LEU A 483
ILE A 251
 None
 1.12A 4p66A-5fuuA:
undetectable		 4p66A-5fuuA:
14.59
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.
5id6 CPF1

(Lachnospiraceae
bacterium
ND2006) 		no annotation 5 ILE A 829
ALA A1184
LEU A 839
LEU A 950
ILE A 922
 None
 1.08A 4p66A-5id6A:
undetectable		 4p66A-5id6A:
8.18
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.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 141
LEU A 101
LEU A  55
ILE A 129
THR A 140
 None
 1.02A 4p66A-5jjuA:
undetectable		 4p66A-5jjuA:
18.93
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
ASP A  31
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
None
None
None
73X  A 704 (-4.2A)
 0.29A 4p66A-5t0lA:
21.5		 4p66A-5t0lA:
13.60
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.
5t33 RHPA GP120 CORE

(Human
immunodeficiency
virus) 		PF00516
(GP120) 		5 ILE G 215
ALA G  55
LEU G  52
LEU G 483
ILE G 251
 None
 1.07A 4p66A-5t33G:
undetectable		 4p66A-5t33G:
16.53
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.
5te4 HIV-1 CLADE G STRAIN
X2088 GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE G 215
ALA G  55
LEU G  52
LEU G 483
ILE G 251
 None
 1.14A 4p66A-5te4G:
undetectable		 4p66A-5te4G:
18.48
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.
5u4q DTDP-GLUCOSE
4,6-DEHYDRATASE

(Klebsiella
pneumoniae) 		PF16363
(GDP_Man_Dehyd) 		5 ALA A  62
ASP A  60
LEU A  59
LEU A   4
ILE A 109
 None
NAD  A 401 (-3.2A)
None
None
None
 1.10A 4p66A-5u4qA:
undetectable		 4p66A-5u4qA:
19.29
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.
5um8 GLYCOPROTEIN GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		5 ILE G 215
ALA G  55
LEU G  52
LEU G 483
ILE G 251
 None
 0.87A 4p66A-5um8G:
undetectable		 4p66A-5um8G:
17.02
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ILE B1036
LEU B1009
LEU B1052
ILE B1039
THR B1029
 None
 1.01A 4p66A-5vniB:
undetectable		 4p66A-5vniB:
12.73
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.
5vod FAB 9I6 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ALA H  50
ASP H  46
LEU H  23
ILE H  53
TYR H  71
 None
 1.13A 4p66A-5vodH:
undetectable		 4p66A-5vodH:
19.44
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.
5wdu ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 ILE G 215
ALA G  55
LEU G  52
LEU G 483
ILE G 251
 None
 0.97A 4p66A-5wduG:
undetectable		 4p66A-5wduG:
16.90
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.
5xnz CRED

(Streptomyces
cremeus) 		no annotation 5 ILE A 301
ALA A 254
LEU A 130
LEU A 137
ILE A 260
 None
 1.11A 4p66A-5xnzA:
undetectable		 4p66A-5xnzA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b0n ENVELOPE
GLYCOPROTEIN GP140

(Human
immunodeficiency
virus 1) 		no annotation 5 ILE G 215
ALA G  55
LEU G  52
LEU G 483
ILE G 251
 None
 1.09A 4p66A-6b0nG:
undetectable		 4p66A-6b0nG:
17.76
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ILE A   6
ALA A   8
ASP A  28
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.64A 4p66A-6cxmA:
21.9		 4p66A-6cxmA:
29.29
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ILE A   6
ALA A   8
ASP A  28
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.42A 4p66A-6cxmA:
21.9		 4p66A-6cxmA:
29.29
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.
6dcq ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 ILE A 215
ALA A  55
LEU A  52
LEU A 483
ILE A 251
 None
 0.93A 4p66A-6dcqA:
undetectable		 4p66A-6dcqA:
16.34
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.
6e4e -

(-) 		no annotation 6 ALA A   7
ASP A  27
LEU A  28
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
None
MMV  A 202 (-4.3A)
 0.45A 4p66A-6e4eA:
26.0		 4p66A-6e4eA:
undetectable