SIMILAR PATTERNS OF AMINO ACIDS FOR 2OIP_A_MTXA605_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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		8 VAL A   6
ALA A   8
ASP A  27
PHE A  31
THR A  47
ILE A  51
LEU A  55
ARG A  58
 None
None
None
None
SO4  A 200 (-3.7A)
None
None
None
 0.62A 2oipA-1cz3A:
19.3		 2oipA-1cz3A:
16.76
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ALA A   9
LEU A  22
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
None
 0.75A 2oipA-1dr6A:
22.9		 2oipA-1dr6A:
16.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e3h GUANOSINE
PENTAPHOSPHATE
SYNTHETASE

(Streptomyces
antibioticus) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03726
(PNPase) 		5 LEU A 229
LEU A 535
PHE A 521
ILE A 542
LEU A 492
 None
 1.07A 2oipA-1e3hA:
undetectable		 2oipA-1e3hA:
20.76
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.
1ifw POLYADENYLATE-BINDIN
G PROTEIN,
CYTOPLASMIC AND
NUCLEAR

(Saccharomyces
cerevisiae) 		PF00658
(PABP) 		5 ALA A  34
SER A  63
THR A  46
ILE A  49
LEU A  60
 None
 1.01A 2oipA-1ifwA:
undetectable		 2oipA-1ifwA:
10.42
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		8 VAL A   5
LEU A  28
ASP A  36
LEU A  37
PHE A  40
THR A  55
LEU A  63
ARG A  66
 None
None
None
None
None
NDP  A 194 (-3.3A)
None
None
 0.88A 2oipA-1juvA:
15.9		 2oipA-1juvA:
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.
1ks5 ENDOGLUCANASE A

(Aspergillus
niger) 		PF01670
(Glyco_hydro_12) 		5 ALA A  97
LEU A 117
THR A  81
ILE A  79
LEU A 196
 None
 1.12A 2oipA-1ks5A:
undetectable		 2oipA-1ks5A:
16.22
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.
1suu DNA GYRASE SUBUNIT A

(Borreliella
burgdorferi) 		PF03989
(DNA_gyraseA_C) 		5 VAL A 753
ALA A 756
SER A 671
THR A 652
LEU A 695
 None
 1.13A 2oipA-1suuA:
undetectable		 2oipA-1suuA:
19.37
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		7 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.69A 2oipA-1u70A:
22.4		 2oipA-1u70A:
17.53
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
None
None
 0.65A 2oipA-1u71A:
22.6		 2oipA-1u71A:
17.69
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.67A 2oipA-1zdrA:
20.6		 2oipA-1zdrA:
16.76
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.
2bap DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		no annotation 5 ALA B 238
LEU B 234
LEU B 212
ILE B 185
LEU B 156
 None
 1.10A 2oipA-2bapB:
undetectable		 2oipA-2bapB:
19.62
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ALA A  15
LEU A  45
ASP A  53
PHE A  57
SER A  58
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-3.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.58A 2oipA-2blbA:
22.4		 2oipA-2blbA:
16.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 VAL A  26
ALA A  28
ASP A  48
PHE A  52
THR A  80
ILE A  84
LEU A  91
ARG A  94
TYR A 160
 None
NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.65A 2oipA-2h2qA:
17.8		 2oipA-2h2qA:
42.41
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.
2hf0 BILE SALT HYDROLASE

(Bifidobacterium
longum) 		PF02275
(CBAH) 		5 VAL A  41
ALA A  44
LEU A 127
SER A 129
TYR A  38
 None
 0.98A 2oipA-2hf0A:
undetectable		 2oipA-2hf0A:
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.
2j04 YDR362CP

(Saccharomyces
cerevisiae) 		no annotation 5 ALA B 296
PHE B 386
SER B 385
ILE B 359
LEU B 396
 None
 1.04A 2oipA-2j04B:
undetectable		 2oipA-2j04B:
20.52
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.
2j4r EXOPOLYPHOSPHATASE

(Aquifex
aeolicus) 		PF02541
(Ppx-GppA) 		5 VAL A 127
ALA A 123
THR A 214
ILE A 213
LEU A 290
 None
 1.06A 2oipA-2j4rA:
undetectable		 2oipA-2j4rA:
21.10
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.
2kzt PROGRAMMED CELL
DEATH PROTEIN 4

(Homo sapiens) 		PF02847
(MA3) 		5 ALA A 294
LEU A 243
PHE A 240
SER A 239
LEU A 223
 None
 1.11A 2oipA-2kztA:
undetectable		 2oipA-2kztA:
15.42
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.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 VAL A  59
ALA A 193
LEU A 195
LEU A 311
LEU A  83
 None
 1.02A 2oipA-2nsmA:
undetectable		 2oipA-2nsmA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2owy RECOMBINATION-ASSOCI
ATED PROTEIN RDGC

(Pseudomonas
aeruginosa) 		PF04381
(RdgC) 		5 VAL A 163
LEU A  17
LEU A 158
ILE A  66
LEU A 150
 None
 1.15A 2oipA-2owyA:
undetectable		 2oipA-2owyA:
21.33
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.
2p14 HETERODIMERIC
RESTRICTION
ENDONUCLEASE
R.BSPD6I SMALL
SUBUNIT

(Bacillus sp. D6) 		PF09491
(RE_AlwI) 		5 VAL A 142
LEU A 161
LEU A 133
PHE A 138
ILE A  72
 None
 1.08A 2oipA-2p14A:
undetectable		 2oipA-2p14A:
17.15
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.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		5 VAL A 828
ALA A 798
LEU A 809
PHE A 814
SER A 813
 None
 1.09A 2oipA-2pi5A:
undetectable		 2oipA-2pi5A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pmi CYCLIN-DEPENDENT
PROTEIN KINASE PHO85

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 ASP A 253
LEU A 254
THR A 262
ILE A 203
LEU A 270
 None
 1.11A 2oipA-2pmiA:
undetectable		 2oipA-2pmiA:
20.57
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  21
LEU A  29
ILE A  51
LEU A  55
ARG A  58
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
 0.82A 2oipA-2qk8A:
20.7		 2oipA-2qk8A:
16.77
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
LEU A  29
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.63A 2oipA-2qk8A:
20.7		 2oipA-2qk8A:
16.77
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.
2vmx SERINE
HYDROXYMETHYLTRANSFE
RASE

(Geobacillus
stearothermophilus) 		PF00464
(SHMT) 		6 ALA A 295
LEU A 292
LEU A 303
PHE A 301
ILE A 356
LEU A 317
 None
 1.26A 2oipA-2vmxA:
undetectable		 2oipA-2vmxA:
21.24
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		9 VAL A   9
ALA A  11
ASP A  31
LEU A  32
PHE A  35
THR A  50
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.65A 2oipA-2w3wA:
21.7		 2oipA-2w3wA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
 0.62A 2oipA-2w9sA:
21.5		 2oipA-2w9sA:
16.73
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ALA A 648
LEU A 348
SER A 374
THR A 491
ILE A 493
 None
 1.02A 2oipA-2waeA:
undetectable		 2oipA-2waeA:
22.54
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		5 VAL A 548
LEU A 745
ASP A 810
PHE A 811
LEU A 716
 None
None
BTB  A1945 (-2.7A)
None
None
 0.81A 2oipA-2yhgA:
undetectable		 2oipA-2yhgA:
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.
3a0g HEMOGLOBIN SUBUNIT
BETA

(Cavia porcellus) 		PF00042
(Globin) 		5 VAL B 137
LEU B  68
PHE B  71
SER B  72
ILE B 114
 None
 0.83A 2oipA-3a0gB:
undetectable		 2oipA-3a0gB:
15.61
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
LEU A  19
ASP A  26
LEU A  27
PHE A  30
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.51A 2oipA-3dfrA:
21.2		 2oipA-3dfrA:
13.58
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		7 ALA A   6
LEU A  19
ASP A  26
LEU A  27
PHE A  30
THR A  45
LEU A  54
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
 0.42A 2oipA-3dfrA:
21.2		 2oipA-3dfrA:
13.58
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ALA A  16
LEU A  46
ASP A  54
PHE A  58
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.63A 2oipA-3dg8A:
23.0		 2oipA-3dg8A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3emj INORGANIC
PYROPHOSPHATASE

(Rickettsia
prowazekii) 		PF00719
(Pyrophosphatase) 		5 VAL A 108
ALA A  89
LEU A 123
ILE A 134
LEU A 130
 None
 1.07A 2oipA-3emjA:
undetectable		 2oipA-3emjA:
18.96
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.
3esi UNCHARACTERIZED
PROTEIN

(Pectobacterium
atrosepticum) 		PF07977
(FabA) 		5 ALA A  56
LEU A 119
PHE A  99
SER A 114
ILE A  69
 None
 1.07A 2oipA-3esiA:
undetectable		 2oipA-3esiA:
12.52
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.
3fxi TOLL-LIKE RECEPTOR 4

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 VAL A 310
LEU A 335
PHE A 313
SER A 314
ILE A 300
 None
 1.13A 2oipA-3fxiA:
undetectable		 2oipA-3fxiA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
ASP X  27
THR X  46
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
None
 0.70A 2oipA-3i8aX:
21.5		 2oipA-3i8aX:
18.37
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA X   7
LEU X  20
ASP X  27
LEU X  28
THR X  46
ILE X  50
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
 0.65A 2oipA-3i8aX:
21.5		 2oipA-3i8aX:
18.37
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		8 ALA A   8
LEU A  29
PHE A  32
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
 0.56A 2oipA-3ia4A:
21.2		 2oipA-3ia4A:
15.08
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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ALA A  10
LEU A  23
LEU A  31
PHE A  34
THR A  49
LEU A  58
ARG A  61
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.58A 2oipA-3ix9A:
21.8		 2oipA-3ix9A:
16.86
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.
3keb PROBABLE THIOL
PEROXIDASE

(Chromobacterium
violaceum) 		no annotation 6 ALA A 141
LEU A  41
SER A  28
THR A  53
ILE A  86
ARG A 120
 None
 1.45A 2oipA-3kebA:
undetectable		 2oipA-3kebA:
17.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  16
ASP A  37
THR A  69
ILE A  73
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
None
 0.49A 2oipA-3kjrA:
43.7		 2oipA-3kjrA:
46.36
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.
3lre KINESIN-LIKE PROTEIN
KIF18A

(Homo sapiens) 		PF00225
(Kinesin) 		5 VAL A 187
LEU A 160
THR A 108
ILE A 257
LEU A 312
 None
 1.14A 2oipA-3lreA:
undetectable		 2oipA-3lreA:
21.51
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.
3n6o GUANINE NUCLEOTIDE
EXCHANGE FACTOR

(Legionella
pneumophila) 		PF14860
(DrrA_P4M) 		5 ALA A 492
LEU A 530
SER A 624
ILE A 571
LEU A 604
 None
 1.10A 2oipA-3n6oA:
undetectable		 2oipA-3n6oA:
19.81
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.
3ohw PHYCOBILISOME LCM
CORE-MEMBRANE LINKER
POLYPEPTIDE

(Synechocystis
sp. PCC 6803) 		no annotation 5 VAL B 735
LEU B 781
LEU B 763
SER B 765
ILE B 756
 None
 1.06A 2oipA-3ohwB:
undetectable		 2oipA-3ohwB:
15.83
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.
3okf 3-DEHYDROQUINATE
SYNTHASE

(Vibrio cholerae) 		PF01761
(DHQ_synthase) 		5 ALA A 304
LEU A 204
THR A 276
ILE A 194
ARG A 296
 None
 1.04A 2oipA-3okfA:
undetectable		 2oipA-3okfA:
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.
3ouk PROBABLE CONSERVED
TRANSMEMBRANE
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A 164
ALA A 135
THR A 260
ILE A 232
LEU A 192
 None
 1.00A 2oipA-3oukA:
undetectable		 2oipA-3oukA:
20.21
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.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		5 LEU A  85
LEU A  62
THR A  53
ILE A  49
LEU A 253
 None
 1.06A 2oipA-3r89A:
undetectable		 2oipA-3r89A:
20.38
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		8 VAL A  32
ALA A  34
ASP A  54
PHE A  58
THR A  86
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
None
 0.60A 2oipA-3rg9A:
22.0		 2oipA-3rg9A:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rzu STAM-BINDING PROTEIN

(Homo sapiens) 		PF01398
(JAB) 		5 VAL A 411
LEU A 263
LEU A 285
SER A 362
THR A 374
 None
 1.14A 2oipA-3rzuA:
undetectable		 2oipA-3rzuA:
16.60
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ALA A   8
LEU A  21
ASP A  28
LEU A  29
PHE A  32
THR A  47
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.63A 2oipA-3tq9A:
21.7		 2oipA-3tq9A:
18.76
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.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		5 VAL A 107
ALA A  88
LEU A 122
ILE A 133
LEU A 129
 None
 0.93A 2oipA-3tr4A:
undetectable		 2oipA-3tr4A:
16.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 LEU A  46
ASP A  54
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.78A 2oipA-3um6A:
40.6		 2oipA-3um6A:
40.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 VAL A 213
LEU A 362
PHE A 571
ILE A 522
LEU A 369
 None
 1.08A 2oipA-3um6A:
40.6		 2oipA-3um6A:
40.39
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.
3v5r PROTEIN GAL3

(Saccharomyces
cerevisiae) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		5 ALA A 357
LEU A 382
THR A 274
ILE A 271
LEU A 370
 None
 1.08A 2oipA-3v5rA:
undetectable		 2oipA-3v5rA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 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) 		9 VAL A   6
ALA A   8
ASP A  28
PHE A  32
THR A  53
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.62A 2oipA-3vcoA:
19.7		 2oipA-3vcoA:
16.36
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 VAL A 986
ALA A 347
PHE A 982
SER A 979
LEU A 937
 None
 1.12A 2oipA-3w9hA:
undetectable		 2oipA-3w9hA:
19.14
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.
3wkm PUTATIVE ZINC
METALLOPROTEASE
AQ_1964

(Aquifex
aeolicus) 		PF00595
(PDZ)
PF13180
(PDZ_2) 		5 VAL A 154
LEU A 179
THR A 175
ILE A 190
LEU A 201
 None
 1.01A 2oipA-3wkmA:
undetectable		 2oipA-3wkmA:
14.69
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.
3zq6 PUTATIVE ARSENICAL
PUMP-DRIVING ATPASE

(Methanothermobacter
thermautotrophicus) 		PF02374
(ArsA_ATPase) 		5 VAL A 142
LEU A  56
THR A  50
ILE A  80
ARG A 132
 None
 1.09A 2oipA-3zq6A:
4.7		 2oipA-3zq6A:
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.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 LEU A 355
PHE A 192
SER A 191
ILE A 362
LEU A 219
 None
None
K  A 503 (-2.9A)
None
None
 1.15A 2oipA-4a69A:
undetectable		 2oipA-4a69A:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ckm SAS-6

(Leishmania
major) 		PF16531
(SAS-6_N) 		5 VAL A 173
LEU A 220
PHE A 212
ILE A 263
LEU A 205
 None
 1.15A 2oipA-4ckmA:
undetectable		 2oipA-4ckmA:
15.61
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ALA X  12
LEU X  25
PHE X  36
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.79A 2oipA-4g8zX:
21.9		 2oipA-4g8zX:
17.47
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ALA X  12
PHE X  36
SER X  37
THR X  61
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
None
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
 0.88A 2oipA-4g8zX:
21.9		 2oipA-4g8zX:
17.47
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.
4grc PUTATIVE MEMBRANE
PROTEIN

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		5 VAL A  92
LEU A 148
LEU A 415
SER A 413
ILE A 142
 None
 1.14A 2oipA-4grcA:
undetectable		 2oipA-4grcA:
20.48
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
None
 0.65A 2oipA-4h96A:
21.1		 2oipA-4h96A:
17.99
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ALA A  11
LEU A  25
PHE A  36
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
None
 0.63A 2oipA-4h98A:
22.3		 2oipA-4h98A:
21.26
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 ALA A 296
LEU A 149
THR A 272
ILE A 167
LEU A 126
 None
 1.02A 2oipA-4kpoA:
undetectable		 2oipA-4kpoA:
18.96
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.
4li2 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Xenopus
tropicalis) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 VAL A 123
LEU A 187
LEU A 176
PHE A 152
LEU A 158
 None
 1.15A 2oipA-4li2A:
undetectable		 2oipA-4li2A:
22.85
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
None
 0.67A 2oipA-4m2xA:
21.0		 2oipA-4m2xA:
17.22
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
PHE A  31
THR A  46
LEU A  55
ARG A  58
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.76A 2oipA-4m7vA:
21.1		 2oipA-4m7vA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		5 ALA A 111
LEU A 126
PHE A 119
SER A 121
ARG A  92
 None
 1.14A 2oipA-4mh1A:
undetectable		 2oipA-4mh1A:
21.62
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.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 VAL A 644
ALA A 646
LEU A 539
ILE A 592
LEU A 590
 None
 1.04A 2oipA-4n3nA:
undetectable		 2oipA-4n3nA:
22.46
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.
4p2b GLUTAMINE
AMINOACYL-TRNA
SYNTHETASE

(Toxoplasma
gondii) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 VAL A 339
LEU A 319
PHE A 322
THR A 279
LEU A 274
 None
 1.01A 2oipA-4p2bA:
undetectable		 2oipA-4p2bA:
21.72
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.50A 2oipA-4p68A:
21.5		 2oipA-4p68A:
16.46
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.
4q2n INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 VAL A 437
ALA A 441
LEU A 376
LEU A 447
ILE A 380
 None
 1.00A 2oipA-4q2nA:
undetectable		 2oipA-4q2nA:
12.53
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.
5csc CITRATE SYNTHASE

(Gallus gallus) 		PF00285
(Citrate_synt) 		5 LEU B 128
LEU B 120
ILE B 145
LEU B 178
TYR B 392
 None
 1.12A 2oipA-5cscB:
undetectable		 2oipA-5cscB:
21.47
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 0.54A 2oipA-5dxvA:
3.4		 2oipA-5dxvA:
13.63
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 1.02A 2oipA-5dxvA:
3.4		 2oipA-5dxvA:
13.63
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
ARG A  56
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
None
None
 0.82A 2oipA-5ecxA:
22.1		 2oipA-5ecxA:
23.51
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
THR A  46
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
 0.65A 2oipA-5ecxA:
22.1		 2oipA-5ecxA:
23.51
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ALA A   8
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 101
 None
 1.05A 2oipA-5fdaA:
14.8		 2oipA-5fdaA:
16.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g51 DWV-VP3-P-DOMAIN

(Deformed wing
virus) 		no annotation 5 ALA A 310
LEU A 312
THR A 345
ILE A 343
LEU A 364
 None
 1.07A 2oipA-5g51A:
undetectable		 2oipA-5g51A:
14.62
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.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ASP A 548
LEU A 547
PHE A 549
ILE A 508
LEU A 533
 NAG  A 902 (-3.9A)
None
None
None
None
 1.13A 2oipA-5gmhA:
undetectable		 2oipA-5gmhA:
20.79
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.
5htv PUTATIVE XYLULOSE
KINASE

(Arabidopsis
thaliana) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		6 ALA A 246
LEU A 287
SER A 266
THR A 254
ILE A 262
LEU A 375
 None
 1.47A 2oipA-5htvA:
undetectable		 2oipA-5htvA:
22.32
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.
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis) 		PF00701
(DHDPS) 		5 LEU A 246
LEU A 212
THR A  47
ILE A  12
LEU A  29
 None
None
KPI  A 164 ( 3.5A)
None
None
 1.06A 2oipA-5ktlA:
undetectable		 2oipA-5ktlA:
20.62
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 VAL A 162
LEU A 443
LEU A 174
PHE A 178
LEU A 404
 None
SO4  A 508 (-4.0A)
None
None
None
 1.03A 2oipA-5livA:
undetectable		 2oipA-5livA:
21.22
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.
5m2d ENDOGLUCANASE-LIKE
PROTEIN

(Acremonium
chrysogenum) 		no annotation 5 ALA A 104
LEU A 124
THR A  88
ILE A  86
LEU A 199
 None
 1.03A 2oipA-5m2dA:
undetectable		 2oipA-5m2dA:
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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 5 VAL A1004
LEU A1035
ILE A 900
LEU A 904
TYR A1076
 None
 1.15A 2oipA-5ng6A:
undetectable		 2oipA-5ng6A:
17.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		10 VAL A   8
ALA A  10
LEU A  23
ASP A  31
PHE A  35
SER A  36
THR A  83
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
None
NDP  A 702 (-3.2A)
None
None
None
 0.50A 2oipA-5t0lA:
44.5		 2oipA-5t0lA:
44.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uhu MYCINAMICIN IV
HYDROXYLASE/EPOXIDAS
E

(Micromonospora
griseorubida) 		PF00067
(p450) 		5 ALA A 208
LEU A 205
LEU A 224
LEU A  94
ARG A  93
 None
 1.16A 2oipA-5uhuA:
undetectable		 2oipA-5uhuA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xmi VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF04212
(MIT) 		6 VAL A 130
ALA A 187
LEU A 273
LEU A 145
ILE A 296
LEU A 138
 None
 1.45A 2oipA-5xmiA:
undetectable		 2oipA-5xmiA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xni MCYF

(Microcystis
aeruginosa) 		no annotation 5 LEU A 182
LEU A 126
SER A 195
ILE A 175
LEU A 166
 None
None
DGL  A 301 (-2.8A)
None
None
 1.15A 2oipA-5xniA:
undetectable		 2oipA-5xniA:
9.25
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.
5yt0 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		no annotation 5 ALA A 140
LEU A 172
LEU A 192
PHE A 193
THR A 160
 None
 0.97A 2oipA-5yt0A:
undetectable		 2oipA-5yt0A:
9.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b0t FASCIN

(Homo sapiens) 		no annotation 5 ALA A 242
LEU A 196
SER A 187
ILE A 144
LEU A 179
 None
 1.07A 2oipA-6b0tA:
undetectable		 2oipA-6b0tA:
10.28
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.
6bdc HCP1

(Flavobacterium
johnsoniae) 		no annotation 5 LEU A  83
PHE A  85
SER A  68
ILE A  44
LEU A   7
 None
 1.09A 2oipA-6bdcA:
undetectable		 2oipA-6bdcA:
11.62
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.60A 2oipA-6cxmA:
19.9		 2oipA-6cxmA:
9.86
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.
6e4e -

(-) 		no annotation 8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
THR A  46
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
 0.71A 2oipA-6e4eA:
21.6		 2oipA-6e4eA:
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.
6ej2 BETA-SECRETASE 1

(Homo sapiens) 		no annotation 5 LEU A 622
LEU A 645
PHE A 650
SER A 734
ILE A 657
 None
 1.12A 2oipA-6ej2A:
undetectable		 2oipA-6ej2A:
9.18
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.
6f85 CYTOCHROME P450
CYP260A1

(Sorangium
cellulosum) 		no annotation 5 VAL A 112
LEU A 393
LEU A 124
PHE A 128
LEU A 354
 None
 1.03A 2oipA-6f85A:
undetectable		 2oipA-6f85A:
10.54