SIMILAR PATTERNS OF AMINO ACIDS FOR 2W3A_A_TOPA1190

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.
1b4j ANTIBODY

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ILE L 117
ALA L 193
PHE L 209
VAL L 132
THR L 206
 None
 1.27A 2w3aA-1b4jL:
undetectable		 2w3aA-1b4jL:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
PHE A  31
THR A  47
ILE A  51
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
 0.71A 2w3aA-1cz3A:
16.4		 2w3aA-1cz3A:
28.12
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
GLU A  30
PHE A  34
THR A  56
ILE A  60
PRO A  61
VAL A 115
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
HBI  A 198 ( 4.3A)
None
HBI  A 198 ( 4.5A)
 0.32A 2w3aA-1dr6A:
32.5		 2w3aA-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.
1hc7 PROLYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 ILE A 436
PHE A 473
THR A 200
PRO A 448
THR A 441
 None
 1.23A 2w3aA-1hc7A:
undetectable		 2w3aA-1hc7A:
17.61
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.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 PHE A 143
ILE A 203
PRO A 202
VAL A  94
TYR A 112
 None
 1.17A 2w3aA-1ig8A:
undetectable		 2w3aA-1ig8A:
19.63
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.
1ko7 HPR
KINASE/PHOSPHATASE

(Staphylococcus
xylosus) 		PF02603
(Hpr_kinase_N)
PF07475
(Hpr_kinase_C) 		5 ILE A 201
ALA A 161
ILE A 195
PRO A 192
THR A 160
 None
 1.23A 2w3aA-1ko7A:
undetectable		 2w3aA-1ko7A:
20.88
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.
1nd7 WW DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00632
(HECT) 		5 ILE A 674
ALA A 665
PHE A 659
PHE A 663
ILE A 569
 None
 1.20A 2w3aA-1nd7A:
undetectable		 2w3aA-1nd7A:
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.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A1181
PHE A1318
PHE A1321
ILE A1171
THR A1185
 None
 1.15A 2w3aA-1p0cA:
2.8		 2w3aA-1p0cA:
18.93
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
GLU A  30
PHE A  34
THR A  56
ILE A  60
PRO A  61
VAL A 115
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.0A)
None
MTX  A 187 (-4.4A)
 0.41A 2w3aA-1u70A:
30.9		 2w3aA-1u70A:
89.25
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) 		8 ILE A   7
PHE A  31
PHE A  34
THR A  56
ILE A  60
PRO A  61
VAL A 115
TYR A 121
 MTX  A 187 (-3.8A)
MTX  A 187 (-4.3A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.0A)
None
 1.28A 2w3aA-1u70A:
30.9		 2w3aA-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) 		11 ILE A   7
ALA A   9
GLU A  30
PHE A  31
PHE A  34
THR A  56
ILE A  60
PRO A  61
VAL A 115
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-4.3A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.4A)
MXA  A 187 (-4.3A)
None
MXA  A 187 (-4.3A)
 0.41A 2w3aA-1u71A:
32.2		 2w3aA-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.
1v4g GLUTAMATE--CYSTEINE
LIGASE

(Escherichia
coli) 		PF04262
(Glu_cys_ligase) 		5 ILE A 194
PHE A 353
ILE A   2
PRO A   3
VAL A 193
 None
 1.23A 2w3aA-1v4gA:
undetectable		 2w3aA-1v4gA:
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		5 ILE A 241
GLU A 210
PHE A 206
ILE A 153
VAL A 220
 None
 1.04A 2w3aA-1woqA:
undetectable		 2w3aA-1woqA:
22.56
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.
1xew SMC PROTEIN

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 ILE Y1099
PHE Y1124
PHE Y1096
VAL X 143
THR Y1128
 None
 1.10A 2w3aA-1xewY:
undetectable		 2w3aA-1xewY:
22.33
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) 		6 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
None
 0.31A 2w3aA-1zdrA:
20.3		 2w3aA-1zdrA:
33.86
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
PHE A  57
ILE A 121
PRO A 122
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
None
None
CP7  A1240 (-4.1A)
 0.54A 2w3aA-2blbA:
22.2		 2w3aA-2blbA:
29.96
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.
2fea 2-HYDROXY-3-KETO-5-M
ETHYLTHIOPENTENYL-1-
PHOSPHATE
PHOSPHATASE

(Bacillus
subtilis) 		PF12710
(HAD) 		5 ILE A 113
ALA A  86
PHE A 207
PHE A  81
VAL A 114
 None
 0.96A 2w3aA-2feaA:
undetectable		 2w3aA-2feaA:
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
PHE A  52
THR A  80
ILE A  84
PRO A  85
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.34A 2w3aA-2h2qA:
21.8		 2w3aA-2h2qA:
18.34
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.
2him L-ASPARAGINASE 1

(Escherichia
coli) 		PF00710
(Asparaginase) 		5 ILE A 113
ALA A  98
PHE A 151
ILE A  15
VAL A  86
 None
 1.16A 2w3aA-2himA:
undetectable		 2w3aA-2himA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jhq URACIL
DNA-GLYCOSYLASE

(Vibrio cholerae) 		PF03167
(UDG) 		5 ILE A  11
GLU A  52
PHE A  48
VAL A 148
THR A   6
 None
 1.20A 2w3aA-2jhqA:
undetectable		 2w3aA-2jhqA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 ALA A  11
PHE A  36
THR A  58
ILE A  62
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
None
MTX  A 605 ( 4.2A)
 0.49A 2w3aA-2oipA:
22.5		 2w3aA-2oipA:
17.50
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.
2pla GLYCEROL-3-PHOSPHATE
DEHYDROGENASE 1-LIKE
PROTEIN

(Homo sapiens) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 ILE A 208
ALA A 326
PHE A 321
PHE A 324
VAL A 209
 None
 1.20A 2w3aA-2plaA:
undetectable		 2w3aA-2plaA:
20.11
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
THR A  50
PRO A  55
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.6A)
None
VG9  A1168 ( 4.7A)
 0.50A 2w3aA-2w3wA:
21.7		 2w3aA-2w3wA:
31.63
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) 		6 ILE A   5
ALA A   7
THR A  46
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.58A 2w3aA-2w9sA:
20.5		 2w3aA-2w9sA:
32.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ycm 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE
, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01128
(IspD) 		5 ILE A 125
PHE A 114
PHE A 113
ILE A 136
VAL A 127
 None
 1.27A 2w3aA-2ycmA:
undetectable		 2w3aA-2ycmA:
23.08
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.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		5 ILE A 513
ALA A 437
PHE A 464
ILE A  10
VAL A 451
 None
 1.25A 2w3aA-2yjqA:
undetectable		 2w3aA-2yjqA:
15.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z95 GDP-D-MANNOSE
DEHYDRATASE

(Aquifex
aeolicus) 		PF16363
(GDP_Man_Dehyd) 		5 ILE A   8
ALA A   6
PHE A 122
THR A  70
ILE A  67
 None
 1.23A 2w3aA-2z95A:
undetectable		 2w3aA-2z95A:
19.25
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.
3aib GLUCOSYLTRANSFERASE-
SI

(Streptococcus
mutans) 		PF02324
(Glyco_hydro_70) 		5 ALA A 586
GLU A 858
PHE A 857
THR A 640
ILE A 680
 None
 1.21A 2w3aA-3aibA:
undetectable		 2w3aA-3aibA:
12.26
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.
3cky 2-HYDROXYMETHYL
GLUTARATE
DEHYDROGENASE

(Eubacterium
barkeri) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 ILE A   7
ALA A  20
PHE A  65
ILE A 138
VAL A 153
 None
 1.05A 2w3aA-3ckyA:
undetectable		 2w3aA-3ckyA:
19.59
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.
3cne PUTATIVE PROTEASE I

(Bacteroides
thetaiotaomicron) 		PF01965
(DJ-1_PfpI) 		5 ILE A 138
ALA A 129
PHE A 154
ILE A  97
THR A 144
 None
 1.16A 2w3aA-3cneA:
undetectable		 2w3aA-3cneA:
24.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d3l ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Homo sapiens) 		PF00305
(Lipoxygenase) 		5 ILE A 470
ALA A 472
PHE A 627
THR A 537
PRO A 391
 None
 1.23A 2w3aA-3d3lA:
undetectable		 2w3aA-3d3lA:
16.08
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
PHE A  30
THR A  45
PRO A  50
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.6A)
MTX  A 164 ( 4.3A)
 0.55A 2w3aA-3dfrA:
20.9		 2w3aA-3dfrA:
31.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
PHE A  58
ILE A 112
PRO A 113
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.39A 2w3aA-3dg8A:
22.7		 2w3aA-3dg8A:
25.81
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.
3dms ISOCITRATE
DEHYDROGENASE [NADP]

(Burkholderia
pseudomallei) 		PF00180
(Iso_dh) 		5 ILE A 178
ALA A 169
ILE A 200
VAL A 177
THR A 195
 None
 1.25A 2w3aA-3dmsA:
undetectable		 2w3aA-3dmsA:
17.56
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.
3fnr ARGINYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00750
(tRNA-synt_1d)
PF05746
(DALR_1) 		5 ILE A 421
ALA A 417
PHE A 487
PHE A 506
VAL A 424
 None
 1.22A 2w3aA-3fnrA:
undetectable		 2w3aA-3fnrA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbv PUTATIVE LACI-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Bacteroides
fragilis) 		PF13407
(Peripla_BP_4) 		5 ILE A 123
PHE A 143
THR A 105
PRO A  73
VAL A 122
 None
 1.09A 2w3aA-3gbvA:
3.2		 2w3aA-3gbvA:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hrr AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF14765
(PS-DH) 		5 ILE A1545
ALA A1549
PHE A1617
THR A1354
THR A1590
 None
 1.24A 2w3aA-3hrrA:
undetectable		 2w3aA-3hrrA:
22.22
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
THR X  46
ILE X  50
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
N22  X 219 (-4.4A)
 0.53A 2w3aA-3i8aX:
20.2		 2w3aA-3i8aX:
29.03
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) 		8 ILE A   6
ALA A   8
GLU A  28
PHE A  32
THR A  47
ILE A  51
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
None
MTX  A 164 (-4.3A)
 0.62A 2w3aA-3ia4A:
20.7		 2w3aA-3ia4A:
31.55
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
GLU A  30
PHE A  34
THR A  49
VAL A 100
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.45A 2w3aA-3ix9A:
21.0		 2w3aA-3ix9A:
31.16
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.
3j26 MINOR VIRION PROTEIN

(Mimivirus-dependent
virus Sputnik) 		no annotation 5 ALA N 317
PHE N 299
THR N 360
ILE N  60
THR N 318
 None
 1.14A 2w3aA-3j26N:
undetectable		 2w3aA-3j26N:
19.31
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.
3ke3 PUTATIVE
SERINE-PYRUVATE
AMINOTRANSFERASE

(Psychrobacter
arcticus) 		PF00266
(Aminotran_5) 		5 ALA A 332
PHE A 368
PHE A 324
THR A 313
ILE A 295
 None
 1.22A 2w3aA-3ke3A:
undetectable		 2w3aA-3ke3A:
19.11
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
PHE A  38
THR A  69
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
 0.71A 2w3aA-3kjrA:
23.2		 2w3aA-3kjrA:
23.54
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
THR A  69
ILE A  73
PRO A  74
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
 0.48A 2w3aA-3kjrA:
23.2		 2w3aA-3kjrA:
23.54
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.
3l5h INTERLEUKIN-6
RECEPTOR SUBUNIT
BETA

(Homo sapiens) 		PF00041
(fn3)
PF06328
(Lep_receptor_Ig)
PF09240
(IL6Ra-bind) 		5 ALA A  73
PHE A  69
THR A  47
ILE A  52
PRO A  53
 None
 1.05A 2w3aA-3l5hA:
undetectable		 2w3aA-3l5hA:
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.
3m6c 60 KDA CHAPERONIN 1

(Mycobacterium
tuberculosis) 		PF00118
(Cpn60_TCP1) 		5 ILE A 247
ALA A 271
THR A 328
ILE A 330
VAL A 248
 None
 1.27A 2w3aA-3m6cA:
undetectable		 2w3aA-3m6cA:
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.
3mc1 PREDICTED
PHOSPHATASE, HAD
FAMILY

(Clostridium
acetobutylicum) 		PF13419
(HAD_2) 		5 ILE A 130
ALA A 106
PHE A 127
THR A  14
ILE A  89
 None
 1.16A 2w3aA-3mc1A:
undetectable		 2w3aA-3mc1A:
24.17
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 ILE D  41
ALA D   7
ILE D  18
VAL D  39
THR D  43
 None
 1.13A 2w3aA-3ossD:
undetectable		 2w3aA-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.
3pf2 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF16569
(GramPos_pilinBB)
PF16570
(GramPos_pilinD3) 		5 ILE A 292
PHE A 294
ILE A 236
PRO A 237
THR A 249
 None
 1.26A 2w3aA-3pf2A:
undetectable		 2w3aA-3pf2A:
20.06
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
THR A  86
PRO A  91
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
WRA  A 602 (-4.3A)
None
WRA  A 602 (-4.2A)
 0.57A 2w3aA-3rg9A:
21.7		 2w3aA-3rg9A:
29.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
PHE A  32
THR A  47
ILE A  51
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
 0.54A 2w3aA-3tq9A:
21.0		 2w3aA-3tq9A:
30.35
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
PHE A  58
THR A 108
ILE A 112
PRO A 113
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.52A 2w3aA-3um6A:
22.5		 2w3aA-3um6A:
14.14
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.
3v0a NTNH

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		5 ILE B 968
ALA B 987
PHE B 941
ILE B 994
VAL B 970
 None
 1.00A 2w3aA-3v0aB:
undetectable		 2w3aA-3v0aB:
9.79
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		5 ILE A 201
ALA A 229
PHE A 353
VAL A 199
THR A 228
 None
 1.25A 2w3aA-3v7iA:
undetectable		 2w3aA-3v7iA:
19.32
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) 		6 ALA A   8
PHE A  32
THR A  53
ILE A  57
PRO A  58
TYR A 117
 None
None
SO4  A 201 (-3.7A)
None
None
None
 0.62A 2w3aA-3vcoA:
23.7		 2w3aA-3vcoA:
37.56
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) 		6 ALA A   8
PHE A  32
THR A  53
ILE A  57
TYR A 117
THR A 133
 None
None
SO4  A 201 (-3.7A)
None
None
None
 0.74A 2w3aA-3vcoA:
23.7		 2w3aA-3vcoA:
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.
4a4z ANTIVIRAL HELICASE
SKI2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF08148
(DSHCT)
PF13234
(rRNA_proc-arch) 		5 ILE A 499
ALA A 351
ILE A 442
VAL A 347
THR A 501
 None
 1.17A 2w3aA-4a4zA:
undetectable		 2w3aA-4a4zA:
11.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4czx PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		no annotation 5 ILE A 124
PHE A  84
ILE A 100
PRO A  99
VAL A 138
 None
 1.16A 2w3aA-4czxA:
undetectable		 2w3aA-4czxA:
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.
4d1y PUTATIVE PROTEASE I

(Bacteroides
thetaiotaomicron) 		PF01965
(DJ-1_PfpI) 		5 ILE A 138
ALA A 129
PHE A 154
ILE A  97
THR A 144
 None
 1.17A 2w3aA-4d1yA:
undetectable		 2w3aA-4d1yA:
22.48
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.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		5 ILE B 159
ALA B 166
PHE B 139
PHE B 142
VAL B 156
 None
 1.17A 2w3aA-4dhiB:
undetectable		 2w3aA-4dhiB:
22.11
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.
4dhz UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans;
Homo sapiens) 		PF10275
(Peptidase_C65) 		5 ILE A 159
ALA A 166
PHE A 139
PHE A 142
VAL A 156
 None
 1.17A 2w3aA-4dhzA:
undetectable		 2w3aA-4dhzA:
22.48
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.
4dm4 CELL DIVISION
CONTROL PROTEIN 73

(Saccharomyces
cerevisiae) 		PF05179
(CDC73_C) 		5 GLU A 127
PHE A 110
PHE A 146
ILE A   9
PRO A  10
 None
 1.27A 2w3aA-4dm4A:
undetectable		 2w3aA-4dm4A:
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.
4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Tetrahymena
thermophila) 		PF05028
(PARG_cat) 		5 ILE A 324
ALA A 326
GLU A 344
ILE A 395
VAL A 236
 None
APR  A 501 ( 4.6A)
None
None
None
 1.12A 2w3aA-4eppA:
undetectable		 2w3aA-4eppA:
17.26
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
GLU X  32
PHE X  36
THR X  61
ILE X  65
PRO X  66
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.8A)
None
TOP  X 301 (-4.5A)
 0.44A 2w3aA-4g8zX:
25.5		 2w3aA-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.
4gij PSEUDOURIDINE-5'-PHO
SPHATE GLYCOSIDASE

(Escherichia
coli) 		PF04227
(Indigoidine_A) 		5 ILE A  55
ALA A  63
PHE A 128
ILE A  34
VAL A  51
 None
 1.12A 2w3aA-4gijA:
undetectable		 2w3aA-4gijA:
20.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
GLU A  32
PHE A  36
THR A  58
ILE A  62
PRO A  63
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-2.8A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.6A)
 0.57A 2w3aA-4h96A:
21.6		 2w3aA-4h96A:
34.52
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
GLU A  32
PHE A  36
THR A  58
ILE A  62
PRO A  63
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.4A)
None
14Q  A 302 (-4.2A)
 0.43A 2w3aA-4h98A:
22.0		 2w3aA-4h98A:
38.22
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.
4i3f SERINE HYDROLASE
CCSP0084

(Cycloclasticus
sp. P1) 		PF12697
(Abhydrolase_6) 		5 ILE A  26
PHE A 276
THR A 110
VAL A 101
THR A  24
 None
 1.23A 2w3aA-4i3fA:
undetectable		 2w3aA-4i3fA:
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.
4i99 CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 ILE A1099
PHE A1124
PHE A1096
VAL A 143
THR A1128
 None
 1.13A 2w3aA-4i99A:
undetectable		 2w3aA-4i99A:
20.83
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.
4j34 KYNURENINE
3-MONOOXYGENASE

(Saccharomyces
cerevisiae) 		PF01494
(FAD_binding_3) 		5 ILE A 196
THR A 242
ILE A 200
PRO A 201
THR A 288
 None
 1.22A 2w3aA-4j34A:
undetectable		 2w3aA-4j34A:
19.65
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.
4jq0 FIBROBLAST GROWTH
FACTOR 12

(Homo sapiens) 		PF00167
(FGF) 		5 ILE A  61
PHE A 141
ILE A 126
VAL A  70
THR A  18
 None
 1.11A 2w3aA-4jq0A:
undetectable		 2w3aA-4jq0A:
23.70
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.
4kva SEPTIN

(Schistosoma
mansoni) 		PF00735
(Septin) 		5 ILE A  44
PHE A  40
PHE A  42
THR A 289
VAL A 149
 None
 1.11A 2w3aA-4kvaA:
undetectable		 2w3aA-4kvaA:
19.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
PRO A  51
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
TMQ  A 202 (-4.2A)
None
TMQ  A 202 (-4.2A)
 0.59A 2w3aA-4m2xA:
20.6		 2w3aA-4m2xA:
32.98
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) 		5 ILE A   5
ALA A   7
PHE A  31
THR A  46
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.4A)
 0.28A 2w3aA-4m7vA:
20.0		 2w3aA-4m7vA:
32.47
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.
4nar PUTATIVE URONATE
ISOMERASE

(Thermotoga
maritima) 		PF09861
(DUF2088) 		5 ILE A 306
ALA A 271
PHE A 373
ILE A 188
PRO A 189
 None
 1.15A 2w3aA-4narA:
undetectable		 2w3aA-4narA:
17.27
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.
4oye 425AA LONG
HYPOTHETICAL PROTON
GLUTAMATE SYMPORT
PROTEIN

(Pyrococcus
horikoshii) 		PF00375
(SDF) 		5 ILE A  61
ALA A 191
GLU A 296
THR A 154
ILE A 155
 None
 1.19A 2w3aA-4oyeA:
undetectable		 2w3aA-4oyeA:
17.79
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) 		7 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.35A 2w3aA-4p68A:
20.7		 2w3aA-4p68A:
32.28
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.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 ALA A 221
GLU A 209
THR A   8
ILE A   9
THR A 218
 None
 1.27A 2w3aA-4twiA:
undetectable		 2w3aA-4twiA:
21.84
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.
4xkm XYLOSE ISOMERASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ALA A 156
GLU A 194
PHE A 189
ILE A 176
THR A 158
 None
 1.18A 2w3aA-4xkmA:
undetectable		 2w3aA-4xkmA:
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.65A 2w3aA-5dxvA:
12.6		 2w3aA-5dxvA:
28.35
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
PHE A  31
THR A  46
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
None
 0.24A 2w3aA-5ecxA:
20.2		 2w3aA-5ecxA:
27.96
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.
5f5r HEAT SHOCK PROTEIN
75 KDA,
MITOCHONDRIAL

(Homo sapiens) 		PF13589
(HATPase_c_3) 		5 ILE A  75
GLU A  79
THR A 153
ILE A 255
THR A  78
 None
 1.23A 2w3aA-5f5rA:
undetectable		 2w3aA-5f5rA:
20.58
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
THR A  47
ILE A  51
TYR A 101
THR A 114
 None
 0.49A 2w3aA-5fdaA:
14.4		 2w3aA-5fdaA:
32.46
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.
5flj QUERCETINASE QUED

(Streptomyces
sp. FLA) 		PF07883
(Cupin_2) 		5 ALA A  33
PHE A 140
PHE A 141
ILE A  66
PRO A  67
 None
QUE  A 301 (-4.3A)
QUE  A 301 (-4.8A)
QUE  A 301 ( 4.0A)
None
 1.17A 2w3aA-5fljA:
undetectable		 2w3aA-5fljA:
21.78
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.
5g0a TRANSAMINASE

(Bacillus
megaterium) 		PF00202
(Aminotran_3) 		5 ILE A 235
THR A 259
PRO A 253
VAL A 234
THR A 295
 None
 1.26A 2w3aA-5g0aA:
undetectable		 2w3aA-5g0aA:
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.
5g4q DNA POLYMERASE III
SUBUNIT BETA

(Helicobacter
pylori) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 ILE A 157
ALA A 142
PHE A 138
PRO A 132
VAL A 170
 None
 1.23A 2w3aA-5g4qA:
undetectable		 2w3aA-5g4qA:
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.
5hk8 PROBABLE
PHEOPHORBIDASE

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 ILE A 206
ALA A 112
PHE A  15
ILE A  82
VAL A 204
 None
 1.15A 2w3aA-5hk8A:
undetectable		 2w3aA-5hk8A:
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.
5jrl DIPEPTIDYL
AMINOPEPTIDASES/ACYL
AMINOACYL-PEPTIDASES
-LIKE PROTEIN

(Sphingopyxis
alaskensis) 		PF00326
(Peptidase_S9) 		5 ILE A 555
ALA A 577
PHE A 575
ILE A 548
VAL A 458
 None
 1.20A 2w3aA-5jrlA:
undetectable		 2w3aA-5jrlA:
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.
5jwr CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Thermosynechococcus
elongatus) 		PF06745
(ATPase) 		5 ILE A 207
ALA A 193
THR A  43
ILE A 180
VAL A 206
 None
 1.25A 2w3aA-5jwrA:
2.1		 2w3aA-5jwrA:
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.
5nhb XYLOSE ISOMERASE

(Piromyces sp.
E2) 		no annotation 5 ALA A 155
GLU A 193
PHE A 188
ILE A 175
THR A 157
 None
 1.21A 2w3aA-5nhbA:
undetectable		 2w3aA-5nhbA:
18.24
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  10
PHE A  35
THR A  83
PRO A  88
VAL A 151
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
73X  A 704 (-4.0A)
73X  A 704 ( 3.8A)
None
73X  A 704 (-4.2A)
 0.41A 2w3aA-5t0lA:
24.2		 2w3aA-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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A  32
PHE A  35
THR A  83
PRO A  88
VAL A 151
TYR A 157
 73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
73X  A 704 (-4.0A)
73X  A 704 ( 3.8A)
None
 1.25A 2w3aA-5t0lA:
24.2		 2w3aA-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.
5tum TETRACYCLINE
DESTRUCTASE TET(56)

(Legionella
longbeachae) 		PF01494
(FAD_binding_3) 		5 ILE A  55
ALA A 309
PHE A 306
THR A 115
ILE A 111
 None
 1.25A 2w3aA-5tumA:
undetectable		 2w3aA-5tumA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vad BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 ALA A1476
THR A1211
ILE A1481
PRO A1482
THR A1461
 None
 1.06A 2w3aA-5vadA:
undetectable		 2w3aA-5vadA:
16.31
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.
5xei CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
yayanosii) 		PF02463
(SMC_N) 		5 ILE A1099
PHE A1124
PHE A1096
VAL A 143
THR A1128
 None
 1.02A 2w3aA-5xeiA:
undetectable		 2w3aA-5xeiA:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xns CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 ILE A1099
PHE A1124
PHE A1096
VAL A 143
THR A1128
 None
None
None
None
CIT  A1202 (-3.9A)
 1.09A 2w3aA-5xnsA:
undetectable		 2w3aA-5xnsA:
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 241
ALA A 235
PHE A 218
THR A 362
ILE A 366
 None
 1.06A 2w3aA-6aonA:
undetectable		 2w3aA-6aonA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b6m CYANATE HYDRATASE

(Serratia
proteamaculans) 		no annotation 5 ALA A  57
THR A   2
ILE A  78
PRO A  79
THR A  36
 None
 1.20A 2w3aA-6b6mA:
undetectable		 2w3aA-6b6mA:
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.
6b9s METHYLPHOSPHONATE
SYNTHASE

(Nitrosopumilus
maritimus) 		no annotation 5 ILE A 312
ALA A 340
THR A 188
VAL A 311
THR A 339
 None
 1.23A 2w3aA-6b9sA:
undetectable		 2w3aA-6b9sA:
16.04
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
PHE A  32
THR A  47
PRO A  52
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
None
MMV  A 202 (-4.4A)
 0.54A 2w3aA-6cxmA:
20.3		 2w3aA-6cxmA:
21.47