SIMILAR PATTERNS OF AMINO ACIDS FOR 4KFJ_B_FOLB202

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) 		5 ALA A   8
PHE A  31
ILE A  51
LEU A  55
THR A 121
 None
 0.69A 4kfjB-1cz3A:
16.1		 4kfjB-1cz3A:
28.27
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) 		10 ILE A   7
ALA A   9
LEU A  22
PHE A  34
ILE A  60
PRO A  61
LEU A  67
VAL A 115
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
HBI  A 198 (-4.1A)
None
None
None
HBI  A 198 ( 4.3A)
None
HBI  A 198 ( 4.5A)
 0.45A 4kfjB-1dr6A:
32.7		 4kfjB-1dr6A:
74.73
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		6 ALA A 445
PHE A 419
ILE A 433
LEU A 141
VAL A 417
THR A 446
 None
 1.47A 4kfjB-1itzA:
undetectable		 4kfjB-1itzA:
15.45
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.
1p9b ADENYLOSUCCINATE
SYNTHETASE

(Plasmodium
falciparum) 		PF00709
(Adenylsucc_synt) 		5 ALA A 234
ILE A 320
LEU A 417
VAL A 274
THR A 252
 None
 1.08A 4kfjB-1p9bA:
2.2		 4kfjB-1p9bA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qzu HYPOTHETICAL PROTEIN
MDS018

(Homo sapiens) 		PF02441
(Flavoprotein) 		5 ILE A  65
PRO A  62
LEU A  33
VAL A  22
THR A 121
 None
 1.06A 4kfjB-1qzuA:
undetectable		 4kfjB-1qzuA:
20.19
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) 		10 ILE A   7
ALA A   9
PHE A  31
PHE A  34
ILE A  60
PRO A  61
LEU A  67
VAL A 115
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
MTX  A 187 ( 4.0A)
None
MTX  A 187 (-4.4A)
 0.32A 4kfjB-1u70A:
31.3		 4kfjB-1u70A:
89.25
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) 		7 ILE A   7
ALA A   9
ARG A  32
PHE A  34
VAL A 115
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
None
MXA  A 187 (-3.9A)
MXA  A 187 (-4.3A)
None
MXA  A 187 (-4.3A)
 1.06A 4kfjB-1u71A:
32.3		 4kfjB-1u71A:
99.46
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) 		9 ILE A   7
ALA A   9
PHE A  34
ILE A  60
PRO A  61
LEU A  67
VAL A 115
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
None
MXA  A 187 (-4.3A)
None
MXA  A 187 (-4.3A)
 0.29A 4kfjB-1u71A:
32.3		 4kfjB-1u71A:
99.46
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) 		7 ILE A   7
PHE A  31
ILE A  60
PRO A  61
VAL A 115
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-4.3A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.3A)
None
MXA  A 187 (-4.3A)
 1.39A 4kfjB-1u71A:
32.3		 4kfjB-1u71A:
99.46
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.
1uus STAT PROTEIN

(Dictyostelium
discoideum) 		PF00017
(SH2)
PF09267
(Dict-STAT-coil) 		6 ILE A 409
ALA A 475
LEU A 366
PHE A 457
LEU A 424
VAL A 453
 None
 1.42A 4kfjB-1uusA:
undetectable		 4kfjB-1uusA:
18.18
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) 		7 ILE A   5
ALA A   7
LEU A  20
PHE A  31
ILE A  50
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
None
 0.55A 4kfjB-1zdrA:
20.3		 4kfjB-1zdrA:
33.51
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.
2aqt SUPEROXIDE DISMUTASE
[CU-ZN]

(Neisseria
meningitidis) 		no annotation 5 ILE C 157
ALA C 181
LEU C  71
PHE C  78
VAL C  53
 None
 1.08A 4kfjB-2aqtC:
undetectable		 4kfjB-2aqtC:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ILE A  13
ALA A  15
LEU A  45
PHE A  57
ILE A 121
PRO A 122
LEU A 128
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
MES  A1241 (-4.5A)
None
CP7  A1240 (-4.1A)
 0.65A 4kfjB-2blbA:
22.1		 4kfjB-2blbA:
29.55
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.
2db3 ATP-DEPENDENT RNA
HELICASE VASA

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 455
LEU A 285
PHE A 431
ILE A 276
PRO A 302
 None
 0.94A 4kfjB-2db3A:
undetectable		 4kfjB-2db3A:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ILE A 303
LEU A 164
PHE A 285
PHE A 250
LEU A 351
 None
 1.06A 4kfjB-2f3oA:
undetectable		 4kfjB-2f3oA:
13.78
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
ILE A  84
PRO A  85
LEU A  91
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
 0.47A 4kfjB-2h2qA:
22.0		 4kfjB-2h2qA:
18.18
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.
2hoq PUTATIVE
HAD-HYDROLASE PH1655

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		5 ILE A 214
LEU A  13
ILE A   5
LEU A 224
VAL A 192
 None
 1.03A 4kfjB-2hoqA:
2.4		 4kfjB-2hoqA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hx5 HYPOTHETICAL PROTEIN

(Prochlorococcus
marinus) 		PF13279
(4HBT_2) 		5 ILE A 117
ILE A 136
PRO A 133
LEU A  41
VAL A 101
 None
None
None
ETX  A 152 ( 4.1A)
None
 1.07A 4kfjB-2hx5A:
undetectable		 4kfjB-2hx5A:
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 ALA A  43
LEU A 260
PHE A 185
ILE A 181
LEU A 174
 None
 1.01A 4kfjB-2nwhA:
2.0		 4kfjB-2nwhA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  25
PHE A  36
ILE A  62
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.1A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.56A 4kfjB-2oipA:
22.7		 4kfjB-2oipA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qik UPF0131 PROTEIN YKQA

(Bacillus
subtilis) 		PF06094
(GGACT)
PF13772
(AIG2_2) 		5 PHE A 143
ILE A 194
PRO A 195
LEU A 202
TYR A 259
 None
 0.96A 4kfjB-2qikA:
undetectable		 4kfjB-2qikA:
19.66
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) 		6 ALA A   8
LEU A  21
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.4A)
 0.93A 4kfjB-2qk8A:
21.2		 4kfjB-2qk8A:
33.87
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.
2veo LIPASE A

(Moesziomyces
antarcticus) 		PF03583
(LIP) 		5 ILE A 150
ALA A 148
ILE A 301
PRO A 300
LEU A 305
 PG4  A1443 ( 4.1A)
None
None
None
None
 1.07A 4kfjB-2veoA:
undetectable		 4kfjB-2veoA:
17.65
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.
2vsq SURFACTIN SYNTHETASE
SUBUNIT 3

(Bacillus
subtilis) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		6 ALA A 247
PHE A 355
ILE A 400
LEU A 390
VAL A 261
THR A 252
 None
 1.31A 4kfjB-2vsqA:
undetectable		 4kfjB-2vsqA:
10.23
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) 		6 ALA A  11
PHE A  35
PRO A  55
LEU A  61
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.7A)
 0.36A 4kfjB-2w3wA:
21.9		 4kfjB-2w3wA:
32.47
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) 		7 ILE A   5
ALA A   7
LEU A  20
ILE A  50
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.70A 4kfjB-2w9sA:
20.7		 4kfjB-2w9sA:
32.45
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.
3ahr ERO1-LIKE PROTEIN
ALPHA

(Homo sapiens) 		PF04137
(ERO1) 		5 ALA A 411
ARG A 449
PHE A 447
ILE A 347
LEU A  61
 None
 1.04A 4kfjB-3ahrA:
undetectable		 4kfjB-3ahrA:
16.16
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.
3bwt PROTEIN PUF4

(Saccharomyces
cerevisiae) 		PF00806
(PUF) 		5 ILE A 716
LEU A 694
PHE A 706
LEU A 745
THR A 677
 None
 0.89A 4kfjB-3bwtA:
undetectable		 4kfjB-3bwtA:
21.95
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.
3d7n FLAVODOXIN,
WRBA-LIKE PROTEIN

(Agrobacterium
fabrum) 		PF03358
(FMN_red) 		5 ILE A  38
LEU A 114
PHE A  76
ILE A  58
LEU A  52
 None
 1.07A 4kfjB-3d7nA:
undetectable		 4kfjB-3d7nA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dah RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Burkholderia
pseudomallei) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 ILE A  88
ILE A  92
PRO A  93
LEU A  73
VAL A 125
 None
 0.88A 4kfjB-3dahA:
undetectable		 4kfjB-3dahA:
22.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
PHE A  30
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.48A 4kfjB-3dfrA:
21.3		 4kfjB-3dfrA:
31.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  19
PHE A  30
PRO A  50
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.3A)
 0.51A 4kfjB-3dfrA:
21.3		 4kfjB-3dfrA:
31.22
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		9 ILE A  14
ALA A  16
LEU A  46
PHE A  58
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.51A 4kfjB-3dg8A:
22.6		 4kfjB-3dg8A:
25.45
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.
3dkp PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX52

(Homo sapiens) 		PF00270
(DEAD) 		5 ILE A 376
LEU A 205
PHE A 352
ILE A 196
PRO A 222
 None
 1.00A 4kfjB-3dkpA:
undetectable		 4kfjB-3dkpA:
22.18
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.
3gbz KINASE, CMGC CDK

(Giardia
intestinalis) 		PF00069
(Pkinase) 		5 ALA A 165
LEU A  66
ILE A 157
LEU A 137
TYR A  26
 None
 1.07A 4kfjB-3gbzA:
undetectable		 4kfjB-3gbzA:
22.59
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.
3giu PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Staphylococcus
aureus) 		PF01470
(Peptidase_C15) 		5 ILE A  35
LEU A 114
ILE A 164
PRO A  77
VAL A   5
 None
 1.08A 4kfjB-3giuA:
undetectable		 4kfjB-3giuA:
20.67
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB3
DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC5

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L)
PF01194
(RNA_pol_N) 		5 ILE J   2
LEU C  66
ARG C 141
ILE C 154
LEU C 148
 None
 1.07A 4kfjB-3h0gJ:
undetectable		 4kfjB-3h0gJ:
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
ILE X  50
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.88A 4kfjB-3i8aX:
20.4		 4kfjB-3i8aX:
29.19
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) 		7 ILE A   6
ALA A   8
PHE A  32
ILE A  51
LEU A  55
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-4.3A)
 0.66A 4kfjB-3ia4A:
20.8		 4kfjB-3ia4A:
30.65
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  23
PHE A  34
LEU A  58
VAL A 100
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.70A 4kfjB-3ix9A:
21.1		 4kfjB-3ix9A:
32.67
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ILE A  73
PRO A  74
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
None
 0.80A 4kfjB-3kjrA:
23.3		 4kfjB-3kjrA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nfi DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA49

(Saccharomyces
cerevisiae) 		PF06870
(RNA_pol_I_A49) 		5 ILE A 201
PHE A 364
ARG A 365
ILE A 343
VAL A 198
 None
 1.03A 4kfjB-3nfiA:
undetectable		 4kfjB-3nfiA:
23.27
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.
3oss TYPE 2 SECRETION
SYSTEM, SECRETIN
GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		6 ILE D  41
ALA D   7
ILE D  18
LEU D  60
VAL D  39
THR D  43
 None
 1.10A 4kfjB-3ossD:
undetectable		 4kfjB-3ossD:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfd ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		6 LEU A 115
ILE A 228
PRO A 229
LEU A 159
VAL A 177
THR A 243
 None
None
IOD  A 408 ( 3.9A)
None
None
None
 1.38A 4kfjB-3pfdA:
undetectable		 4kfjB-3pfdA:
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.
3rc3 ATP-DEPENDENT RNA
HELICASE SUPV3L1,
MITOCHONDRIAL

(Homo sapiens) 		PF00271
(Helicase_C)
PF12513
(SUV3_C) 		5 ALA A 577
PHE A 593
ILE A 655
LEU A 608
VAL A 634
 None
 0.84A 4kfjB-3rc3A:
undetectable		 4kfjB-3rc3A:
14.95
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
PRO A  91
LEU A  97
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
WRA  A 602 (-4.3A)
None
None
WRA  A 602 (-4.2A)
 0.55A 4kfjB-3rg9A:
22.1		 4kfjB-3rg9A:
28.98
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.
3sft CHEMOTAXIS RESPONSE
REGULATOR
PROTEIN-GLUTAMATE
METHYLESTERASE

(Thermotoga
maritima) 		PF01339
(CheB_methylest) 		5 ILE A 279
LEU A 283
ILE A 177
LEU A 180
VAL A 161
 None
 1.05A 4kfjB-3sftA:
undetectable		 4kfjB-3sftA:
20.40
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.
3sy8 ROCR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF00563
(EAL) 		5 ILE A 266
ALA A 293
ILE A 248
LEU A 244
VAL A 234
 None
 1.07A 4kfjB-3sy8A:
undetectable		 4kfjB-3sy8A:
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
LEU A  21
PHE A  32
ILE A  51
LEU A  55
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-4.3A)
 0.62A 4kfjB-3tq9A:
21.3		 4kfjB-3tq9A:
29.50
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
LEU A  46
PHE A  58
ILE A 112
PRO A 113
LEU A 119
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
NDP  A 610 (-4.4A)
1CY  A 609 (-3.5A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.63A 4kfjB-3um6A:
22.4		 4kfjB-3um6A:
13.98
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		6 ILE A 201
ALA A 229
PHE A 353
LEU A   5
VAL A 199
THR A 228
 None
 1.32A 4kfjB-3v7iA:
undetectable		 4kfjB-3v7iA:
19.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
PHE A  32
ILE A  57
PRO A  58
LEU A  64
TYR A 117
THR A 133
 None
 0.72A 4kfjB-3vcoA:
24.0		 4kfjB-3vcoA:
36.62
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.
3vsm OCCLUSION-DERIVED
VIRUS ENVELOPE
PROTEIN E66

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF04850
(Baculo_E66) 		5 ALA A 470
LEU A 492
ILE A 669
VAL A 646
THR A 469
 None
 1.04A 4kfjB-3vsmA:
undetectable		 4kfjB-3vsmA:
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.
4bev COPPER EFFLUX ATPASE

(Legionella
pneumophila) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ALA A 540
ARG A 530
ILE A 470
LEU A 438
THR A 545
 None
 1.08A 4kfjB-4bevA:
2.2		 4kfjB-4bevA:
17.89
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.
4fs7 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF13306
(LRR_5) 		5 LEU A 144
PHE A 156
ILE A 173
LEU A 200
VAL A 187
 None
 0.97A 4kfjB-4fs7A:
undetectable		 4kfjB-4fs7A:
19.69
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) 		9 ILE X  10
ALA X  12
LEU X  25
PHE X  36
ILE X  65
PRO X  66
LEU X  72
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.9A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
None
TOP  X 301 (-4.5A)
 0.53A 4kfjB-4g8zX:
25.4		 4kfjB-4g8zX:
37.38
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.
4gou EHRGS-RHOGEF

(Entamoeba
histolytica) 		PF00615
(RGS)
PF00621
(RhoGEF) 		5 ILE A 438
ALA A 411
LEU A 413
ILE A 497
VAL A 443
 None
 1.06A 4kfjB-4gouA:
undetectable		 4kfjB-4gouA:
17.93
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.
4gul PIRIN

(Homo sapiens) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		5 ILE A 152
PHE A  42
ILE A 197
LEU A  68
THR A 169
 None
 0.98A 4kfjB-4gulA:
undetectable		 4kfjB-4gulA:
22.81
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) 		6 ILE A   9
ALA A  11
ARG A  34
PHE A  36
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
None
14Q  A 202 (-4.0A)
None
14Q  A 202 ( 4.6A)
 0.88A 4kfjB-4h96A:
21.1		 4kfjB-4h96A:
33.85
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) 		8 ILE A   9
ALA A  11
PHE A  36
ILE A  62
PRO A  63
LEU A  69
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 ( 4.8A)
None
None
None
14Q  A 202 ( 4.6A)
 0.76A 4kfjB-4h96A:
21.1		 4kfjB-4h96A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
LEU A  25
PHE A  36
ILE A  62
PRO A  63
LEU A  69
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-3.8A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
None
14Q  A 302 (-4.2A)
 0.51A 4kfjB-4h98A:
21.9		 4kfjB-4h98A:
37.56
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		5 LEU A 327
PHE A 261
ILE A 385
LEU A 367
THR A 377
 None
 1.07A 4kfjB-4hz8A:
undetectable		 4kfjB-4hz8A:
18.74
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 537
ILE A 466
PRO A 462
LEU A 586
VAL A 498
 None
 0.96A 4kfjB-4iigA:
undetectable		 4kfjB-4iigA:
13.85
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.
4j16 NAD/NADP
TRANSHYDROGENASE
ALPHA SUBUNIT 1

(Thermus
thermophilus) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 ILE A  90
ILE A 120
PRO A 121
LEU A 333
VAL A  92
 None
 0.86A 4kfjB-4j16A:
2.1		 4kfjB-4j16A:
18.86
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.
4lhe THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Bacillus sp.
H-257) 		PF12146
(Hydrolase_4) 		6 ALA A 249
PHE A 244
ARG A 240
PHE A 245
PRO A 118
VAL A  23
 None
 1.47A 4kfjB-4lheA:
undetectable		 4kfjB-4lheA:
22.49
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.
4lub PUTATIVE PREPHENATE
DEHYDRATASE

(Streptococcus
mutans) 		PF00800
(PDT) 		5 ILE A 223
LEU A 201
PHE A 246
ILE A 270
VAL A 254
 None
 1.01A 4kfjB-4lubA:
undetectable		 4kfjB-4lubA:
22.76
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) 		7 ILE A   5
ALA A   7
PHE A  31
PRO A  51
LEU A  57
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
TMQ  A 202 (-4.2A)
None
None
TMQ  A 202 (-4.2A)
 0.49A 4kfjB-4m2xA:
21.0		 4kfjB-4m2xA:
31.94
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) 		6 ILE A   5
ALA A   7
LEU A  20
PHE A  31
LEU A  55
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.69A 4kfjB-4m7vA:
20.2		 4kfjB-4m7vA:
31.96
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.
4mlc EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfitobacterium
hafniense) 		PF13458
(Peripla_BP_6) 		5 ILE A 200
ALA A 204
ILE A 126
LEU A 130
THR A 209
 None
 1.08A 4kfjB-4mlcA:
undetectable		 4kfjB-4mlcA:
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		6 ILE A  36
LEU A 191
ARG A 231
PHE A 230
VAL A  38
THR A 200
 None
 1.39A 4kfjB-4ojxA:
undetectable		 4kfjB-4ojxA:
19.61
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) 		6 ILE A   5
ALA A   7
PHE A  31
ILE A  50
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.40A 4kfjB-4p68A:
20.8		 4kfjB-4p68A:
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.
4pav GLYOXALASE FAMILY
PROTEIN

(Staphylococcus
aureus) 		PF00903
(Glyoxalase) 		5 ALA A  18
LEU A  50
PHE A  26
ILE A  73
LEU A  75
 None
 1.00A 4kfjB-4pavA:
undetectable		 4kfjB-4pavA:
21.13
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.
4q2m MAJOR FACILITATOR
SUPERFAMILY MFS_1

(Escherichia
coli) 		no annotation 5 ILE A  14
PRO A  15
LEU A  24
VAL A  37
THR A  55
 None
 0.99A 4kfjB-4q2mA:
undetectable		 4kfjB-4q2mA:
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.
4q9z HUMAN PROTEIN KINASE
C THETA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 ILE A 408
PHE A 380
ILE A 705
LEU A 375
VAL A 457
 None
 1.04A 4kfjB-4q9zA:
undetectable		 4kfjB-4q9zA:
21.91
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.
4s2t PROTEIN APP-1

(Caenorhabditis
elegans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		5 ILE P 119
PRO P 145
LEU P 109
VAL P  65
THR P  36
 None
 0.90A 4kfjB-4s2tP:
undetectable		 4kfjB-4s2tP:
15.15
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.
4s2u RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Escherichia
coli) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		5 ILE A  85
ILE A  89
PRO A  90
LEU A  70
VAL A 122
 None
 0.90A 4kfjB-4s2uA:
undetectable		 4kfjB-4s2uA:
18.69
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.
4xij SHIKIMATE
5-DEHYDROGENASE

(Mycolicibacterium
fortuitum) 		PF08501
(Shikimate_dh_N) 		5 ALA A 117
LEU A 137
ILE A 124
LEU A 205
VAL A 211
 None
 1.03A 4kfjB-4xijA:
undetectable		 4kfjB-4xijA:
21.37
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.
4xn3 TAIL SPIKE PROTEIN

(Salmonella
virus HK620) 		no annotation 6 ILE A 310
ARG A 327
PHE A 301
ILE A 230
VAL A 286
THR A 342
 None
 1.12A 4kfjB-4xn3A:
undetectable		 4kfjB-4xn3A:
13.62
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ALA A 738
LEU A 696
PHE A 713
ILE A 667
TYR A 754
 None
 1.02A 4kfjB-4xriA:
undetectable		 4kfjB-4xriA:
12.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ce0 NATIVE CONSERPIN
WITH Z-VARIANT
(E342K)

(synthetic
construct) 		PF00079
(Serpin) 		5 LEU A 260
PHE A 340
PHE A 342
PRO A 361
TYR A 216
 None
 1.02A 4kfjB-5ce0A:
undetectable		 4kfjB-5ce0A:
18.16
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		6 ALA A 411
ILE A 403
PRO A 389
LEU A 253
TYR A 196
THR A 444
 None
 1.47A 4kfjB-5chcA:
undetectable		 4kfjB-5chcA:
15.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dem ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ILE A 125
ILE A 173
LEU A 149
VAL A 143
THR A 105
 None
 1.04A 4kfjB-5demA:
undetectable		 4kfjB-5demA:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 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 ILE A   5
ALA A   7
PHE A  48
ILE A  67
LEU A  71
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.66A 4kfjB-5dxvA:
12.6		 4kfjB-5dxvA:
27.84
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) 		6 ILE A   6
ALA A   8
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.49A 4kfjB-5fdaA:
14.4		 4kfjB-5fdaA:
31.44
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ALA A 538
ILE A 467
PRO A 463
LEU A 587
VAL A 499
 None
 0.91A 4kfjB-5fjjA:
undetectable		 4kfjB-5fjjA:
12.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gs6 NS1 OF ZIKA VIRUS
FROM 2015 BRAZIL
STRAIN

(Zika virus) 		PF00948
(Flavi_NS1) 		5 LEU A 321
PHE A 323
ILE A 243
PRO A 244
LEU A 217
 None
 1.06A 4kfjB-5gs6A:
undetectable		 4kfjB-5gs6A:
21.61
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.
5gvi UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 30

(Danio rerio) 		PF00443
(UCH) 		5 ILE A 270
LEU A 313
PHE A 244
ILE A 319
LEU A 249
 None
 1.06A 4kfjB-5gviA:
undetectable		 4kfjB-5gviA:
18.52
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.
5hus TREHALOSE SYNTHASE
REGULATORY PROTEIN

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		5 ILE A 200
ALA A 147
ILE A 111
LEU A 207
THR A 148
 None
 1.08A 4kfjB-5husA:
undetectable		 4kfjB-5husA:
22.15
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.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 ALA B 196
LEU B 226
ILE B 234
PRO B 231
LEU B 237
 None
 1.04A 4kfjB-5hz1B:
undetectable		 4kfjB-5hz1B:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6s ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 2

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 ILE A  97
ALA A 218
ARG A 205
PHE A 211
VAL A  99
 None
 1.08A 4kfjB-5j6sA:
undetectable		 4kfjB-5j6sA:
11.15
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.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 ILE A 404
LEU A 340
PHE A 370
ILE A 335
VAL A 354
 None
 0.96A 4kfjB-5jcfA:
undetectable		 4kfjB-5jcfA:
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.
5mlz DOLICHOL
MONOPHOSPHATE
MANNOSE SYNTHASE

(Pyrococcus
furiosus) 		PF00535
(Glycos_transf_2)
PF04138
(GtrA) 		6 ILE A   6
ALA A  72
PHE A  77
ILE A 183
LEU A 162
VAL A  87
 None
GDP  A 401 (-3.4A)
None
None
None
None
 1.37A 4kfjB-5mlzA:
undetectable		 4kfjB-5mlzA:
20.67
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.
5ohk UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE
30,UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE
30,UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 30

(Homo sapiens) 		PF00443
(UCH) 		5 ILE A 274
LEU A 317
PHE A 248
ILE A 323
LEU A 253
 None
 1.02A 4kfjB-5ohkA:
undetectable		 4kfjB-5ohkA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		9 ALA A  10
LEU A  23
PHE A  32
PHE A  35
PRO A  88
LEU A  94
VAL A 151
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
73X  A 704 (-4.0A)
None
73X  A 704 ( 3.8A)
None
73X  A 704 (-4.2A)
 0.46A 4kfjB-5t0lA:
24.3		 4kfjB-5t0lA:
16.02
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.
5tea INORGANIC
PYROPHOSPHATASE

(Neisseria
gonorrhoeae) 		PF00719
(Pyrophosphatase) 		5 ALA A 112
LEU A  87
ILE A  60
PRO A  61
VAL A  91
 None
 1.01A 4kfjB-5teaA:
undetectable		 4kfjB-5teaA:
23.72
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 ILE A 311
LEU A 241
ILE A 361
LEU A 367
VAL A 289
 None
SAH  A 703 (-4.0A)
None
None
None
 1.07A 4kfjB-5wp4A:
undetectable		 4kfjB-5wp4A:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 5 ILE A  39
ARG A  97
PHE A  95
LEU A 228
VAL A  43
 None
 1.04A 4kfjB-6bvdA:
undetectable		 4kfjB-6bvdA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
PHE A  32
PRO A  52
LEU A  58
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.4A)
 0.49A 4kfjB-6cxmA:
20.5		 4kfjB-6cxmA:
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.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  20
ILE A  50
LEU A  54
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 ( 4.9A)
None
MMV  A 202 (-4.3A)
 0.77A 4kfjB-6e4eA:
20.6		 4kfjB-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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 5 ILE L 404
ALA L 266
ILE L 186
LEU L 134
VAL L 260
 None
 1.07A 4kfjB-6ehsL:
undetectable		 4kfjB-6ehsL:
undetectable
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) 		4 GLU A  30
GLN A  35
ASN A  64
ARG A  70
 HBI  A 198 (-3.0A)
None
None
None
 1.49A 4kfjB-1dr6A:
32.7		 4kfjB-1dr6A:
74.73
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) 		4 GLU A  30
GLN A  35
ASN A  64
ARG A  70
 MTX  A 187 (-3.0A)
MTX  A 187 (-3.7A)
MTX  A 187 (-3.6A)
MTX  A 187 (-3.1A)
 0.26A 4kfjB-1u70A:
31.3		 4kfjB-1u70A:
89.25