SIMILAR PATTERNS OF AMINO ACIDS FOR 3QG2_A_CP6A609_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) 		5 ALA A   8
ASP A  27
PHE A  31
ILE A  51
THR A 121
 None
 0.59A 3qg2A-1cz3A:
17.5		 3qg2A-1cz3A:
14.55
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 ( 4.1A)
None
None
HBI  A 198 ( 4.5A)
 0.33A 3qg2A-1dr6A:
23.0		 3qg2A-1dr6A:
14.29
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.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 5 ILE B 631
ALA B 635
PHE B 630
SER B 805
ILE B 803
 None
 1.37A 3qg2A-1ej6B:
undetectable		 3qg2A-1ej6B:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ex0 COAGULATION FACTOR
XIII A CHAIN

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 ILE A 330
ALA A 192
ASP A 191
PHE A 184
ILE A 153
 None
 1.38A 3qg2A-1ex0A:
undetectable		 3qg2A-1ex0A:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		5 ILE A 128
PHE A  33
SER A  74
ILE A 439
THR A 155
 None
 1.40A 3qg2A-1k7hA:
2.9		 3qg2A-1k7hA:
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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 ILE A 251
ALA A   4
ASN A 280
ILE A 322
TYR A 246
 None
 1.40A 3qg2A-1qhoA:
undetectable		 3qg2A-1qhoA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
PHE A  34
ILE A  60
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.2A)
None
MTX  A 187 (-4.4A)
 0.39A 3qg2A-1u70A:
22.4		 3qg2A-1u70A:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
PHE A  34
SER A  59
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 ( 3.8A)
None
MTX  A 187 (-4.4A)
 0.60A 3qg2A-1u70A:
22.4		 3qg2A-1u70A:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
PHE A  34
SER A  59
ILE A  60
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
MXA  A 187 (-4.3A)
 0.36A 3qg2A-1u71A:
23.1		 3qg2A-1u71A:
13.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdq BACTERIAL SULFITE
OXIDASE

(Escherichia
coli) 		PF00174
(Oxidored_molyb) 		5 ILE A 206
PHE A 135
SER A  73
ILE A  72
THR A 221
 None
 1.45A 3qg2A-1xdqA:
undetectable		 3qg2A-1xdqA:
18.60
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.
1xvy SFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		5 ASP A  37
ASN A 175
SER A 136
TYR A 195
THR A  58
 None
 1.44A 3qg2A-1xvyA:
undetectable		 3qg2A-1xvyA:
18.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yco BRANCHED-CHAIN
PHOSPHOTRANSACYLASE

(Enterococcus
faecalis) 		PF01515
(PTA_PTB) 		5 ILE A 209
ALA A 194
SER A 167
TYR A 205
THR A 195
 None
 1.43A 3qg2A-1ycoA:
undetectable		 3qg2A-1ycoA:
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
PHE A  31
ILE A  50
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
None
 0.35A 3qg2A-1zdrA:
20.4		 3qg2A-1zdrA:
12.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ASP A  53
PHE A  57
SER A 117
ILE A 121
THR A 194
 CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 ( 4.1A)
CP7  A1240 (-4.1A)
 1.39A 3qg2A-2blbA:
31.4		 3qg2A-2blbA:
30.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ILE A  13
ALA A  15
ASP A  53
MET A  54
PHE A  57
SER A 120
ILE A 121
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
None
CP7  A1240 (-4.1A)
 0.52A 3qg2A-2blbA:
31.4		 3qg2A-2blbA:
30.12
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) 		8 ALA A  28
ASP A  48
MET A  49
PHE A  52
SER A  83
ILE A  84
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
NAP  A 523 ( 4.4A)
None
None
None
 0.54A 3qg2A-2h2qA:
15.2		 3qg2A-2h2qA:
38.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
ASP A  32
PHE A  36
SER A  61
ILE A  62
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
None
MTX  A 605 ( 4.2A)
 0.44A 3qg2A-2oipA:
40.5		 3qg2A-2oipA:
40.26
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.
2qv6 GTP CYCLOHYDROLASE
III

(Methanocaldococcus
jannaschii) 		PF05165
(GCH_III) 		5 ILE A  64
ALA A  44
PHE A  42
SER A  75
ILE A  76
 None
 1.28A 3qg2A-2qv6A:
undetectable		 3qg2A-2qv6A:
17.97
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
ASP A  31
PHE A  35
SER A  53
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
None
VG9  A1168 ( 4.7A)
 0.39A 3qg2A-2w3wA:
20.7		 3qg2A-2w3wA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
SER A  49
ILE A  50
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
TOP  A1160 ( 4.5A)
 0.74A 3qg2A-2w9sA:
20.6		 3qg2A-2w9sA:
12.31
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.
3cpg UNCHARACTERIZED
PROTEIN

(Bifidobacterium
adolescentis) 		PF01168
(Ala_racemase_N) 		5 ILE A 267
ALA A  55
MET A  74
SER A 258
THR A  56
 None
 1.04A 3qg2A-3cpgA:
undetectable		 3qg2A-3cpgA:
17.25
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
PHE A  30
SER A  48
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.3A)
 0.51A 3qg2A-3dfrA:
20.9		 3qg2A-3dfrA:
13.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		10 ILE A  14
ALA A  16
ASP A  54
MET A  55
PHE A  58
ASN A 108
SER A 111
ILE A 112
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.4A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.40A 3qg2A-3dg8A:
36.7		 3qg2A-3dg8A:
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.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 ILE A  41
ALA A 358
PHE A 362
SER A 377
ILE A 374
 None
 1.42A 3qg2A-3foaA:
undetectable		 3qg2A-3foaA:
21.21
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.
3i3y CARBOHYDRATE KINASE

(Klebsiella
pneumoniae) 		PF00294
(PfkB) 		5 ILE A  46
ALA A 230
ASN A 161
SER A 163
THR A 264
 None
 1.37A 3qg2A-3i3yA:
2.1		 3qg2A-3i3yA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6v PERIPLASMIC
HIS/GLU/GLN/ARG/OPIN
E FAMILY-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00497
(SBP_bac_3) 		5 ILE A 258
ALA A 267
PHE A 262
SER A 119
TYR A 269
 None
None
None
LYS  A   1 (-2.8A)
None
 1.42A 3qg2A-3i6vA:
undetectable		 3qg2A-3i6vA:
15.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
ASP X  27
SER X  49
ILE X  50
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
N22  X 219 (-4.4A)
 0.75A 3qg2A-3i8aX:
20.3		 3qg2A-3i8aX:
14.19
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
PHE A  32
SER A  50
ILE A  51
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
None
MTX  A 164 (-4.3A)
 0.73A 3qg2A-3ia4A:
20.5		 3qg2A-3ia4A:
14.48
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 ILE U  41
ALA U 358
PHE U 362
SER U 377
ILE U 374
 None
 1.42A 3qg2A-3j2nU:
undetectable		 3qg2A-3j2nU:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
SER A  72
ILE A  73
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
None
 0.39A 3qg2A-3kjrA:
41.6		 3qg2A-3kjrA:
44.91
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.
3p02 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF14274
(DUF4361)
PF16343
(DUF4973) 		5 ASP A 227
SER A 201
ILE A 204
TYR A 310
THR A 301
 None
 1.30A 3qg2A-3p02A:
undetectable		 3qg2A-3p02A:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Yersinia pestis) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 ALA A 253
ASP A 166
ASN A 664
TYR A 594
THR A 252
 None
 1.10A 3qg2A-3pvcA:
2.2		 3qg2A-3pvcA:
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.
3r0z D-SERINE DEHYDRATASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A 335
ASN A 168
SER A 114
ILE A 115
THR A 333
 None
SO4  A 451 (-3.9A)
SO4  A 451 ( 4.1A)
None
None
 1.37A 3qg2A-3r0zA:
undetectable		 3qg2A-3r0zA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
ASP A  54
PHE A  58
SER A  89
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
None
WRA  A 602 (-4.2A)
 0.32A 3qg2A-3rg9A:
21.1		 3qg2A-3rg9A:
19.50
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.
3ss7 D-SERINE DEHYDRATASE

(Escherichia
coli) 		PF00291
(PALP) 		5 ALA X 337
ASN X 170
SER X 116
ILE X 117
THR X 335
 None
PLP  X 502 (-3.8A)
PLP  X 502 ( 4.7A)
PLP  X 502 ( 4.9A)
None
 1.47A 3qg2A-3ss7X:
undetectable		 3qg2A-3ss7X:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
ILE A  51
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 (-4.3A)
 0.62A 3qg2A-3tq9A:
20.3		 3qg2A-3tq9A:
14.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A  54
MET A  55
SER A 111
ILE A 112
THR A 185
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
1CY  A 609 (-4.3A)
 0.92A 3qg2A-3um6A:
53.3		 3qg2A-3um6A:
99.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 112
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.36A 3qg2A-3um6A:
53.3		 3qg2A-3um6A:
99.18
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		5 ALA A   8
ASP A  28
MET A  29
SER A  56
THR A 133
 None
 1.05A 3qg2A-3vcoA:
19.5		 3qg2A-3vcoA:
17.40
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
PHE A  32
SER A  56
ILE A  57
TYR A 117
THR A 133
 None
 0.68A 3qg2A-3vcoA:
19.5		 3qg2A-3vcoA:
17.40
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.
4eba MRNA
3'-END-PROCESSING
PROTEIN RNA14

(Kluyveromyces
lactis) 		PF05843
(Suf) 		5 ILE A 429
ALA A 434
MET A 423
SER A 465
ILE A 464
 None
 1.21A 3qg2A-4ebaA:
undetectable		 3qg2A-4ebaA:
22.58
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ILE X  10
ALA X  12
PHE X  36
SER X  64
ILE X  65
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
TOP  X 301 (-4.5A)
 0.56A 3qg2A-4g8zX:
21.9		 3qg2A-4g8zX:
15.90
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PHE A  36
SER A  61
ILE A  62
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
14Q  A 202 ( 4.6A)
 0.73A 3qg2A-4h96A:
19.4		 3qg2A-4h96A:
15.88
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		5 ALA A  11
MET A  33
SER A  61
ILE A  62
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 (-4.0A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
14Q  A 302 (-4.2A)
 0.97A 3qg2A-4h98A:
20.3		 3qg2A-4h98A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ILE A   9
ALA A  11
PHE A  36
SER A  61
ILE A  62
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
14Q  A 302 (-4.2A)
 0.49A 3qg2A-4h98A:
20.3		 3qg2A-4h98A:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iiw LMO1499 PROTEIN

(Listeria
monocytogenes) 		PF02618
(YceG) 		5 ILE A 249
ALA A 314
PHE A 253
SER A 305
ILE A 304
 None
 1.27A 3qg2A-4iiwA:
undetectable		 3qg2A-4iiwA:
20.26
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
PHE A  31
SER A  49
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
None
TMQ  A 202 (-4.2A)
 0.35A 3qg2A-4m2xA:
10.0		 3qg2A-4m2xA:
15.46
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.4A)
 0.24A 3qg2A-4m7vA:
20.5		 3qg2A-4m7vA:
13.88
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
PHE A  31
SER A  49
ILE A  50
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
None
MTX  A 201 ( 4.5A)
 0.44A 3qg2A-4p68A:
20.9		 3qg2A-4p68A:
13.05
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		5 ILE A 313
ALA A  19
PHE A 290
SER A  59
ILE A 283
 None
None
None
ASC  A 501 ( 4.9A)
None
 1.25A 3qg2A-4rp8A:
undetectable		 3qg2A-4rp8A:
19.10
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A  67
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
CME  A 140 ( 4.5A)
 0.63A 3qg2A-5dxvA:
12.0		 3qg2A-5dxvA:
11.74
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
PHE A  48
SER A  66
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.47A 3qg2A-5dxvA:
12.0		 3qg2A-5dxvA:
11.74
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
SER A  50
ILE A  51
TYR A 101
THR A 114
 None
 0.52A 3qg2A-5fdaA:
14.7		 3qg2A-5fdaA:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j1t TORSIN-1A

(Homo sapiens) 		PF06309
(Torsin) 		5 ASP A 173
MET A 172
ASN A 109
SER A 112
ILE A 168
 None
None
MG  A 402 ( 2.9A)
None
None
 1.17A 3qg2A-5j1tA:
undetectable		 3qg2A-5j1tA:
18.92
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.
5ld5 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Atopobium
vaginae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A  47
ALA A  21
MET A  36
SER A 137
ILE A  28
 None
None
None
NAD  A 401 (-3.0A)
NAD  A 401 (-4.4A)
 1.39A 3qg2A-5ld5A:
undetectable		 3qg2A-5ld5A:
19.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
ASP A  31
PHE A  35
SER A  86
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
None
73X  A 704 (-4.2A)
 0.36A 3qg2A-5t0lA:
42.0		 3qg2A-5t0lA:
41.47
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.
5w94 MAU2 CHROMATID
COHESION FACTOR
HOMOLOG
SISTER CHROMATID
COHESION PROTEIN 2

(Saccharomyces
cerevisiae) 		PF10345
(Cohesin_load)
no annotation 		5 ILE A 488
PHE A 492
ILE A 588
TYR B  25
THR A 439
 None
 1.47A 3qg2A-5w94A:
undetectable		 3qg2A-5w94A:
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 ILE A 247
ALA A 243
ASN A  91
SER A  61
THR A 241
 None
None
LLP  A  63 ( 3.7A)
LLP  A  63 ( 3.1A)
None
 1.30A 3qg2A-5ybwA:
undetectable		 3qg2A-5ybwA:
7.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 7 ILE A   6
ALA A   8
ASP A  28
PHE A  32
SER A  50
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
None
MMV  A 202 (-4.4A)
 0.33A 3qg2A-6cxmA:
18.8		 3qg2A-6cxmA:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 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
SER A  49
ILE A  50
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
MMV  A 202 (-4.3A)
 0.88A 3qg2A-6e4eA:
20.4		 3qg2A-6e4eA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 ILE A 201
ASP A 317
ASN A  39
SER A  42
ILE A  43
 None
None
None
SO4  A 507 (-4.2A)
None
 1.39A 3qg2A-6eu6A:
undetectable		 3qg2A-6eu6A:
8.87