SIMILAR PATTERNS OF AMINO ACIDS FOR 3QFX_A_CP6A602_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		7 VAL A   6
ALA A   8
ASP A  27
PHE A  31
THR A  47
ILE A 100
THR A 121
 None
None
None
None
SO4  A 200 (-3.7A)
None
None
 0.45A 3qfxA-1cz3A:
18.2		 3qfxA-1cz3A:
28.57
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.
1dci DIENOYL-COA
ISOMERASE

(Rattus
norvegicus) 		PF00378
(ECH_1) 		5 ALA A 190
MET A 112
PHE A 113
ILE A 178
THR A 187
 None
 1.19A 3qfxA-1dciA:
undetectable		 3qfxA-1dciA:
19.93
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
PHE A  34
THR A  56
SER A  59
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
NAP  A 191 ( 4.1A)
None
HBI  A 198 ( 4.5A)
 0.40A 3qfxA-1dr6A:
22.3		 3qfxA-1dr6A:
29.84
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.
1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 VAL A 298
ALA A 355
PHE A 294
THR A 396
SER A 394
 None
 1.16A 3qfxA-1e1cA:
undetectable		 3qfxA-1e1cA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		7 VAL A   5
ASP A  36
PHE A  40
THR A  55
SER A  58
LEU A  59
ILE A 127
 None
None
None
NDP  A 194 (-3.3A)
NDP  A 194 ( 3.9A)
None
None
 0.62A 3qfxA-1juvA:
14.7		 3qfxA-1juvA:
26.85
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.
1mio NITROGENASE
MOLYBDENUM IRON
PROTEIN (BETA CHAIN)

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 VAL B 434
ALA B 430
ILE B 268
LEU B 317
ILE B 437
 None
 1.19A 3qfxA-1mioB:
undetectable		 3qfxA-1mioB:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s4c PROTEIN HI0227

(Haemophilus
influenzae) 		PF04074
(DUF386) 		5 ALA A  62
ILE A 108
PHE A 124
THR A 113
ILE A  81
 None
 1.08A 3qfxA-1s4cA:
undetectable		 3qfxA-1s4cA:
18.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ALA A   9
PHE A  34
THR A  56
SER A  59
TYR A 121
THR A 136
 NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
NDP  A 188 ( 3.8A)
None
MTX  A 187 (-4.4A)
 0.66A 3qfxA-1u70A:
22.0		 3qfxA-1u70A:
31.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ALA A   9
PHE A  34
THR A  56
SER A  59
TYR A 121
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 (-3.8A)
None
MXA  A 187 (-4.3A)
 0.38A 3qfxA-1u71A:
22.0		 3qfxA-1u71A:
29.27
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.
1vcn CTP SYNTHETASE

(Thermus
thermophilus) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 VAL A 150
ALA A  47
ILE A  82
ILE A  50
THR A  46
 None
 1.10A 3qfxA-1vcnA:
3.9		 3qfxA-1vcnA:
20.45
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.
1ybd URIDYLATE KINASE

(Neisseria
meningitidis) 		PF00696
(AA_kinase) 		5 VAL A  51
ILE A 220
SER A  20
LEU A  21
ILE A  53
 None
 1.15A 3qfxA-1ybdA:
undetectable		 3qfxA-1ybdA:
25.00
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.
1yz6 PROBABLE TRANSLATION
INITIATION FACTOR 2
ALPHA SUBUNIT

(Pyrococcus
abyssi) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		5 ALA A 198
ILE A 251
PHE A 216
LEU A 260
ILE A 243
 None
 1.06A 3qfxA-1yz6A:
undetectable		 3qfxA-1yz6A:
24.24
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
None
None
 0.32A 3qfxA-1zdrA:
19.2		 3qfxA-1zdrA:
27.89
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.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 250
ILE A 201
PHE A 178
SER A 296
THR A 221
 None
 1.06A 3qfxA-1zklA:
undetectable		 3qfxA-1zklA:
23.35
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
ASP A  53
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 1.49A 3qfxA-2blbA:
20.2		 3qfxA-2blbA:
27.34
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
ASP A  53
MET A  54
SER A 120
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
NDP  A1239 (-3.6A)
None
CP7  A1240 (-4.1A)
 0.83A 3qfxA-2blbA:
20.2		 3qfxA-2blbA:
27.34
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
ASP A  53
PHE A  57
SER A 117
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
CP7  A1240 (-4.1A)
 0.99A 3qfxA-2blbA:
20.2		 3qfxA-2blbA:
27.34
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ALA A  15
ASP A  53
PHE A  57
SER A 120
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.35A 3qfxA-2blbA:
20.2		 3qfxA-2blbA:
27.34
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.
2few PTS SYSTEM
MANNITOL-SPECIFIC
EIICBA COMPONENT

(Escherichia
coli) 		PF00359
(PTS_EIIA_2) 		5 VAL A  79
ALA A 106
THR A  55
LEU A  57
THR A  77
 None
 1.15A 3qfxA-2fewA:
undetectable		 3qfxA-2fewA:
23.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ASP A  48
MET A  49
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
 1.49A 3qfxA-2h2qA:
33.0		 3qfxA-2h2qA:
58.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		11 VAL A  26
ALA A  28
ILE A  41
ASP A  48
MET A  49
PHE A  52
THR A  80
SER A  83
ILE A 154
TYR A 160
THR A 178
 None
NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
NAP  A 523 (-3.5A)
NAP  A 523 ( 4.4A)
None
None
None
 0.37A 3qfxA-2h2qA:
33.0		 3qfxA-2h2qA:
58.47
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.
2igt SAM DEPENDENT
METHYLTRANSFERASE

(Agrobacterium
fabrum) 		PF10672
(Methyltrans_SAM) 		5 ALA A 130
SER A 242
LEU A 241
ILE A 207
THR A 129
 None
 1.20A 3qfxA-2igtA:
2.5		 3qfxA-2igtA:
22.65
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.
2lyi PROTEIN (ENTITY)

(Nephila
antipodiana) 		PF12042
(RP1-2) 		5 VAL A  68
ALA A  63
ILE A  91
LEU A 110
ILE A  84
 None
 1.14A 3qfxA-2lyiA:
undetectable		 3qfxA-2lyiA:
21.94
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  11
ASP A  32
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 1.08A 3qfxA-2oipA:
22.2		 3qfxA-2oipA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 VAL A   9
ALA A  11
ASP A  32
PHE A  36
THR A  58
SER A  61
TYR A 119
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
NDP  A 606 ( 4.5A)
None
MTX  A 605 ( 4.2A)
 0.27A 3qfxA-2oipA:
22.2		 3qfxA-2oipA:
21.40
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) 		5 ALA A  11
ASP A  31
LEU A  61
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 4.7A)
 1.01A 3qfxA-2w3wA:
20.2		 3qfxA-2w3wA:
31.95
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) 		11 VAL A   9
ALA A  11
ILE A  24
ASP A  31
PHE A  35
THR A  50
SER A  53
LEU A  54
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
NDP  A1169 ( 3.9A)
None
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.53A 3qfxA-2w3wA:
20.2		 3qfxA-2w3wA:
31.95
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 1.18A 3qfxA-2w9sA:
19.6		 3qfxA-2w9sA:
27.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
SER A  49
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
None
TOP  A1160 ( 4.5A)
 0.69A 3qfxA-2w9sA:
19.6		 3qfxA-2w9sA:
27.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
THR A  46
TYR A  98
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
None
TOP  A1160 ( 4.5A)
 0.21A 3qfxA-2w9sA:
19.6		 3qfxA-2w9sA:
27.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xik SERINE/THREONINE
PROTEIN KINASE 25

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 157
THR A 204
LEU A 208
ILE A 124
THR A  79
 J60  A1294 ( 4.2A)
None
None
None
J60  A1294 ( 4.2A)
 1.17A 3qfxA-2xikA:
undetectable		 3qfxA-2xikA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yyy GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		5 VAL A   5
ALA A  82
ILE A  79
THR A  33
ILE A   7
 None
 1.15A 3qfxA-2yyyA:
undetectable		 3qfxA-2yyyA:
21.92
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.
3c8l FTSZ-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Nostoc
punctiforme) 		PF09585
(Lin0512_fam) 		5 VAL A  29
ALA A 113
ILE A   8
LEU A  38
ILE A  33
 None
None
None
IMD  A 125 (-4.6A)
IMD  A 125 (-3.7A)
 1.18A 3qfxA-3c8lA:
undetectable		 3qfxA-3c8lA:
19.05
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
ASP A  26
PHE A  30
THR A  45
SER A  48
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.46A 3qfxA-3dfrA:
19.7		 3qfxA-3dfrA:
24.67
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
ASP A  54
MET A  55
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 1.19A 3qfxA-3dg8A:
21.1		 3qfxA-3dg8A:
26.86
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ALA A  16
ASP A  54
MET A  55
PHE A  58
SER A 111
TYR A 170
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.8A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.42A 3qfxA-3dg8A:
21.1		 3qfxA-3dg8A:
26.86
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		5 VAL A 528
ILE A  98
ASP A 103
THR A 109
LEU A 189
 None
 1.08A 3qfxA-3djaA:
undetectable		 3qfxA-3djaA:
18.17
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.
3hgq HDA1 COMPLEX SUBUNIT
3

(Saccharomyces
cerevisiae) 		PF11496
(HDA2-3) 		5 ALA A  85
ILE A 244
LEU A 314
ILE A 241
THR A  86
 None
 1.10A 3qfxA-3hgqA:
undetectable		 3qfxA-3hgqA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
ASP X  27
THR X  46
SER X  49
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
N22  X 219 (-3.3A)
None
N22  X 219 (-4.4A)
 0.65A 3qfxA-3i8aX:
20.0		 3qfxA-3i8aX:
26.94
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ALA A   8
PHE A  32
THR A  47
SER A  50
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
NDP  A 163 ( 3.8A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.52A 3qfxA-3ia4A:
19.3		 3qfxA-3ia4A:
29.51
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.
3iib PEPTIDASE M28

(Shewanella
amazonensis) 		PF04389
(Peptidase_M28) 		5 ALA A 189
ILE A 219
SER A 121
LEU A 248
ILE A 193
 None
 1.20A 3qfxA-3iibA:
undetectable		 3qfxA-3iibA:
19.72
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		5 VAL A 289
ILE A 195
SER A 201
LEU A 202
ILE A 221
 None
 1.21A 3qfxA-3ipwA:
undetectable		 3qfxA-3ipwA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ASP A  37
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 1.07A 3qfxA-3kjrA:
21.6		 3qfxA-3kjrA:
19.58
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  16
ILE A  29
ASP A  37
THR A  69
SER A  72
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
NAP  A 512 (-3.6A)
NAP  A 512 ( 4.2A)
None
None
 0.42A 3qfxA-3kjrA:
21.6		 3qfxA-3kjrA:
19.58
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.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ILE A  20
PHE A  62
SER A 112
LEU A 109
ILE A  37
 None
 1.13A 3qfxA-3kzwA:
undetectable		 3qfxA-3kzwA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 VAL A 614
ALA A 253
ASP A 166
TYR A 594
THR A 252
 None
 1.16A 3qfxA-3pvcA:
undetectable		 3qfxA-3pvcA:
16.72
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.
3rag UNCHARACTERIZED
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00092
(VWA) 		5 VAL A  44
ALA A  49
SER A 141
ILE A  43
TYR A  54
 GOL  A 241 (-3.2A)
GOL  A 241 (-3.3A)
NA  A 240 (-2.6A)
None
None
 1.15A 3qfxA-3ragA:
undetectable		 3qfxA-3ragA:
26.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
LEU A  97
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
None
WRA  A 602 (-4.2A)
 1.08A 3qfxA-3rg9A:
38.9		 3qfxA-3rg9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		11 VAL A  32
ALA A  34
ILE A  47
ASP A  54
PHE A  58
THR A  86
SER A  89
LEU A  90
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
WRA  A 602 ( 4.2A)
WRA  A 602 (-4.8A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.29A 3qfxA-3rg9A:
38.9		 3qfxA-3rg9A:
100.00
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 ALA A   8
ASP A  28
PHE A  32
THR A  47
SER A  50
ILE A  96
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
NDP  A1001 ( 3.0A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.50A 3qfxA-3tq9A:
19.7		 3qfxA-3tq9A:
27.35
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.
3u4g NAMN:DMB
PHOSPHORIBOSYLTRANSF
ERASE

(Pyrococcus
horikoshii) 		no annotation 5 VAL A  11
ASP A 205
SER A 234
LEU A 237
THR A 142
 None
 1.13A 3qfxA-3u4gA:
undetectable		 3qfxA-3u4gA:
23.73
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.
3uai H/ACA
RIBONUCLEOPROTEIN
COMPLEX SUBUNIT 4

(Saccharomyces
cerevisiae) 		PF01472
(PUA)
PF01509
(TruB_N)
PF08068
(DKCLD)
PF16198
(TruB_C_2) 		5 VAL A 104
ALA A 109
LEU A 252
ILE A  62
THR A 110
 None
 1.03A 3qfxA-3uaiA:
undetectable		 3qfxA-3uaiA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ASP A  54
PHE A  58
THR A 108
SER A 111
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.40A 3qfxA-3um6A:
21.1		 3qfxA-3um6A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umg HALOACID
DEHALOGENASE

(Rhodococcus
jostii) 		PF00702
(Hydrolase) 		5 VAL A  26
ALA A 193
PHE A  20
LEU A 246
ILE A 239
 None
 1.18A 3qfxA-3umgA:
undetectable		 3qfxA-3umgA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umg HALOACID
DEHALOGENASE

(Rhodococcus
jostii) 		PF00702
(Hydrolase) 		5 VAL A  26
ALA A 194
PHE A  20
LEU A 246
ILE A 239
 None
 1.18A 3qfxA-3umgA:
undetectable		 3qfxA-3umgA:
21.07
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) 		9 VAL A   6
ALA A   8
ASP A  28
PHE A  32
THR A  53
SER A  56
ILE A 111
TYR A 117
THR A 133
 None
None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
 0.57A 3qfxA-3vcoA:
20.1		 3qfxA-3vcoA:
31.80
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.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		5 VAL A 164
ALA A 186
ILE A 214
LEU A 199
ILE A 168
 UD1  A 501 (-3.7A)
None
None
None
None
 1.10A 3qfxA-3vcyA:
undetectable		 3qfxA-3vcyA:
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.
3vf1 11R-LIPOXYGENASE

(Gersemia
fruticosa) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 VAL A 483
ILE A 491
MET A 640
PHE A 643
ILE A 484
 None
 1.03A 3qfxA-3vf1A:
undetectable		 3qfxA-3vf1A:
15.80
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.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA A 195
MET A 190
LEU A 110
ILE A 262
THR A 196
 None
 1.18A 3qfxA-3zduA:
undetectable		 3qfxA-3zduA:
22.63
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.
3zh4 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 VAL A 165
ALA A 187
ILE A 215
LEU A 200
ILE A 169
 PEG  A1420 (-3.3A)
None
None
None
None
 1.13A 3qfxA-3zh4A:
undetectable		 3qfxA-3zh4A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c4o CARBONYL REDUCTASE
CPCR2

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A  41
ALA A 146
ILE A 140
LEU A 137
ILE A  67
 None
 1.18A 3qfxA-4c4oA:
undetectable		 3qfxA-4c4oA:
23.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eay MANNONATE
DEHYDRATASE

(Escherichia
coli) 		PF03786
(UxuA) 		5 ILE A 241
PHE A 136
LEU A 197
ILE A 178
THR A 113
 None
 1.15A 3qfxA-4eayA:
undetectable		 3qfxA-4eayA:
20.10
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.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		5 VAL A 256
ALA A 141
ILE A 138
ILE A 225
THR A 145
 None
 1.07A 3qfxA-4ffcA:
undetectable		 3qfxA-4ffcA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
PHE X  36
SER X  64
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.61A 3qfxA-4g8zX:
22.5		 3qfxA-4g8zX:
28.97
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ALA X  12
PHE X  36
THR X  61
ILE X 123
TYR X 129
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.24A 3qfxA-4g8zX:
22.5		 3qfxA-4g8zX:
28.97
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.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		5 VAL A 117
ALA A  78
ASP A  79
PHE A 254
ILE A 121
 CAU  A 500 (-4.2A)
None
None
None
None
 1.18A 3qfxA-4gbrA:
undetectable		 3qfxA-4gbrA:
21.29
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 ALA A  11
PHE A  36
THR A  58
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.51A 3qfxA-4h96A:
19.1		 3qfxA-4h96A:
31.54
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 ALA A  11
PHE A  36
THR A  58
SER A  61
ILE A 112
TYR A 118
 14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.2A)
None
 0.59A 3qfxA-4h96A:
19.1		 3qfxA-4h96A:
31.54
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) 		5 ALA A  11
MET A  33
THR A  58
SER A  61
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-4.0A)
NDP  A 301 (-3.5A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
 1.18A 3qfxA-4h98A:
20.4		 3qfxA-4h98A:
31.73
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) 		7 ALA A  11
PHE A  36
THR A  58
SER A  61
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-2.6A)
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.53A 3qfxA-4h98A:
20.4		 3qfxA-4h98A:
31.73
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.
4lru GLYOXALASE III
(GLUTATHIONE-INDEPEN
DENT)

(Candida
albicans) 		PF01965
(DJ-1_PfpI) 		5 ALA A 122
ILE A 141
THR A 215
ILE A 213
THR A 123
 None
 1.18A 3qfxA-4lruA:
undetectable		 3qfxA-4lruA:
23.19
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) 		5 ALA A   7
ASP A  27
LEU A  57
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
TMQ  A 202 (-4.2A)
 1.06A 3qfxA-4m2xA:
19.3		 3qfxA-4m2xA:
32.93
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) 		10 ALA A   7
ILE A  20
ASP A  27
PHE A  31
THR A  46
SER A  49
LEU A  50
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
NDP  A 201 (-4.0A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
NDP  A 201 (-3.6A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.42A 3qfxA-4m2xA:
19.3		 3qfxA-4m2xA:
32.93
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
PHE A  31
THR A  46
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.4A)
 0.27A 3qfxA-4m7vA:
18.8		 3qfxA-4m7vA:
26.83
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.
4ncj DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		5 ALA A 135
ILE A 816
PHE A 132
LEU A   3
ILE A 820
 None
 1.15A 3qfxA-4ncjA:
undetectable		 3qfxA-4ncjA:
22.51
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.
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase) 		5 ALA B 161
THR B 208
LEU B 212
ILE B 128
THR B  83
 None
None
None
None
ADP  B 500 ( 4.9A)
 1.17A 3qfxA-4o27B:
undetectable		 3qfxA-4o27B:
22.74
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.
4o8m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Actinobacillus
succinogenes) 		PF03480
(DctP) 		5 ILE A 140
ASP A 134
SER A  90
LEU A  77
ILE A  98
 None
 1.20A 3qfxA-4o8mA:
undetectable		 3qfxA-4o8mA:
22.47
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		8 ALA A   7
ASP A  27
PHE A  31
THR A  46
SER A  49
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 ( 3.7A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.38A 3qfxA-4p68A:
19.8		 3qfxA-4p68A:
27.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qni UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		5 VAL A 243
ILE A 200
SER A 220
ILE A 242
THR A 238
 None
EDO  A 403 ( 4.1A)
None
None
EDO  A 403 (-3.4A)
 1.21A 3qfxA-4qniA:
undetectable		 3qfxA-4qniA:
21.63
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.
4r7f UNCHARACTERIZED
PROTEIN

(Parabacteroides
merdae) 		PF17116
(DUF5103) 		5 VAL A  30
ALA A 154
ILE A  62
ILE A  35
THR A  28
 None
 1.05A 3qfxA-4r7fA:
undetectable		 3qfxA-4r7fA:
18.31
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A 747
ALA A 762
ILE A 776
THR A 771
ILE A 769
 None
 1.19A 3qfxA-4rcnA:
undetectable		 3qfxA-4rcnA:
12.95
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.
4ypj BETA GALACTOSIDASE

(Bacillus
circulans) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 VAL A 619
ILE A 375
PHE A 596
ILE A 366
THR A 594
 None
 1.20A 3qfxA-4ypjA:
undetectable		 3qfxA-4ypjA:
14.00
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ALA A   7
PHE A  48
THR A  63
SER A  66
ILE A 111
TYR A 117
THR A 130
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.30A 3qfxA-5dxvA:
11.8		 3qfxA-5dxvA:
26.45
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
ILE A  20
PHE A  31
THR A  46
SER A  49
 5N1  A 202 ( 3.5A)
NAP  A 201 (-4.1A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 (-3.6A)
 0.89A 3qfxA-5ecxA:
19.5		 3qfxA-5ecxA:
24.69
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
ILE A  20
PHE A  31
THR A  46
TYR A 102
 5N1  A 202 ( 3.5A)
NAP  A 201 (-4.1A)
5N1  A 202 (-4.1A)
NAP  A 201 (-3.2A)
None
 0.26A 3qfxA-5ecxA:
19.5		 3qfxA-5ecxA:
24.69
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ALA A   8
THR A  47
SER A  50
TYR A 101
THR A 114
 None
 0.40A 3qfxA-5fdaA:
13.6		 3qfxA-5fdaA:
28.69
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.
5gzs GGDEF FAMILY PROTEIN

(Vibrio cholerae) 		PF00497
(SBP_bac_3) 		5 ALA A  54
PHE A  66
LEU A 223
ILE A 213
THR A  55
 None
 1.10A 3qfxA-5gzsA:
undetectable		 3qfxA-5gzsA:
20.86
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.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 VAL A 202
ALA A 200
SER A 226
LEU A 227
THR A 164
 None
 1.16A 3qfxA-5h2vA:
undetectable		 3qfxA-5h2vA:
12.24
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.
5i92 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		5 VAL A 232
ALA A 126
ILE A 123
ILE A 201
THR A 130
 None
 1.18A 3qfxA-5i92A:
undetectable		 3qfxA-5i92A:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		5 VAL A 599
ALA A 597
PHE A 376
LEU A 435
ILE A 358
 None
 1.20A 3qfxA-5iheA:
undetectable		 3qfxA-5iheA:
21.05
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 VAL A1807
ILE A1782
PHE A1773
SER A1744
ILE A1750
 None
 1.12A 3qfxA-5m5pA:
undetectable		 3qfxA-5m5pA:
8.01
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 ALA A  10
ASP A  31
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
None
None
73X  A 704 (-4.2A)
 1.03A 3qfxA-5t0lA:
24.5		 3qfxA-5t0lA:
19.97
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 VAL A   8
ALA A  10
ASP A  31
PHE A  35
THR A  83
SER A  86
TYR A 157
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
NDP  A 702 (-3.8A)
None
73X  A 704 (-4.2A)
 0.35A 3qfxA-5t0lA:
24.5		 3qfxA-5t0lA:
19.97
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.
5t7d PHOSPHINOTHRICIN
N-ACETYLTRANSFERASE

(Streptomyces
hygroscopicus) 		PF13420
(Acetyltransf_4) 		6 ALA A  13
ILE A  71
ASP A  17
LEU A 102
ILE A  10
THR A  14
 None
None
None
ACO  A 800 (-4.9A)
None
None
 1.24A 3qfxA-5t7dA:
undetectable		 3qfxA-5t7dA:
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.
5w4t CADHERIN 23

(Danio rerio) 		no annotation 5 VAL C  62
PHE C  53
THR C  21
LEU C  68
ILE C  27
 None
 1.10A 3qfxA-5w4tC:
undetectable		 3qfxA-5w4tC:
15.55
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.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		5 VAL A 642
ILE A 699
PHE A 636
THR A 591
SER A 594
 None
 1.14A 3qfxA-5x7sA:
undetectable		 3qfxA-5x7sA:
10.91
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.
6c08 SODIUM-COUPLED
NEUTRAL AMINO ACID
TRANSPORTER 9

(Danio rerio) 		no annotation 5 VAL C 310
ALA C 431
THR C 318
LEU C 398
ILE C 314
 None
 1.21A 3qfxA-6c08C:
undetectable		 3qfxA-6c08C:
17.73
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
ASP A  28
LEU A  58
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 1.28A 3qfxA-6cxmA:
19.1		 3qfxA-6cxmA:
16.88
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 10 ALA A   8
ILE A  21
ASP A  28
PHE A  32
THR A  47
SER A  50
LEU A  51
ILE A  92
TYR A  98
THR A 111
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.38A 3qfxA-6cxmA:
19.1		 3qfxA-6cxmA:
16.88
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.
6e4e -

(-) 		no annotation 5 ALA A   7
ASP A  27
THR A  46
SER A  49
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
MMV  A 202 (-4.3A)
 0.75A 3qfxA-6e4eA:
20.0		 3qfxA-6e4eA:
undetectable