SIMILAR PATTERNS OF AMINO ACIDS FOR 3QG2_B_CP6B709_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.
1bl0 PROTEIN (MULTIPLE
ANTIBIOTIC
RESISTANCE PROTEIN)

(Escherichia
coli) 		PF12833
(HTH_18) 		5 ILE A  13
PHE A  48
SER A  29
ILE A  60
LEU A  17
 None
 1.24A 3qg2B-1bl0A:
undetectable		 3qg2B-1bl0A:
12.34
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.
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
 0.58A 3qg2B-1cz3A:
17.7		 3qg2B-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)
 0.30A 3qg2B-1dr6A:
22.9		 3qg2B-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.
1e12 HALORHODOPSIN

(Halobacterium
salinarum) 		PF01036
(Bac_rhodopsin) 		5 ILE A 119
ALA A  65
PHE A 245
ILE A 195
LEU A 123
 None
 1.14A 3qg2B-1e12A:
undetectable		 3qg2B-1e12A:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 5 ILE B 631
ALA B 635
PHE B 630
SER B 805
ILE B 803
 None
 1.34A 3qg2B-1ej6B:
undetectable		 3qg2B-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.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Pagrus major) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 ILE A 580
ALA A 480
PHE A 488
LEU A 582
TYR A 169
 None
 1.30A 3qg2B-1g0dA:
undetectable		 3qg2B-1g0dA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hg8 ENDOPOLYGALACTURONAS
E

(Fusarium
verticillioides) 		PF00295
(Glyco_hydro_28) 		5 ILE A 238
ALA A 216
ASP A 213
SER A 257
ILE A 286
 None
 1.35A 3qg2B-1hg8A:
undetectable		 3qg2B-1hg8A:
20.75
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.
1jro XANTHINE
DEHYDROGENASE, CHAIN
A

(Rhodobacter
capsulatus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		5 ILE A 382
ALA A 395
ASP A 421
PHE A 397
LEU A 401
 None
 1.04A 3qg2B-1jroA:
undetectable		 3qg2B-1jroA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.34A 3qg2B-1u70A:
22.2		 3qg2B-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)
 0.55A 3qg2B-1u70A:
22.2		 3qg2B-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 3qg2B-1u71A:
22.8		 3qg2B-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.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ILE A 492
ALA A 508
PHE A 517
ILE A 523
LEU A 486
 None
 1.33A 3qg2B-1uokA:
undetectable		 3qg2B-1uokA:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z48 PROBABLE
NADH-DEPENDENT
FLAVIN
OXIDOREDUCTASE YQJM

(Bacillus
subtilis) 		PF00724
(Oxidored_FMN) 		5 ILE A  57
ASP A 247
PHE A 213
ILE A   9
LEU A  55
 None
 1.21A 3qg2B-1z48A:
undetectable		 3qg2B-1z48A:
19.34
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.
1zb7 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 ILE A  99
MET A  92
PHE A  96
ILE A 193
LEU A 232
 None
 1.34A 3qg2B-1zb7A:
undetectable		 3qg2B-1zb7A:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.31A 3qg2B-1zdrA:
20.4		 3qg2B-1zdrA:
12.83
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.
2an1 PUTATIVE KINASE

(Salmonella
enterica) 		PF01513
(NAD_kinase) 		5 ILE A 146
ASN A 268
ILE A  88
LEU A 267
THR A 144
 ILE  A 146 ( 0.7A)
ASN  A 268 ( 0.6A)
ILE  A  88 ( 0.7A)
LEU  A 267 ( 0.6A)
THR  A 144 ( 0.8A)
 1.17A 3qg2B-2an1A:
undetectable		 3qg2B-2an1A:
19.80
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.
2aye REGULATORY PROTEIN
E2

(Alphapapillomavirus
10) 		PF00511
(PPV_E2_C) 		5 ILE A 350
PHE A 299
SER A 314
ILE A 313
THR A 353
 None
 1.11A 3qg2B-2ayeA:
undetectable		 3qg2B-2ayeA:
9.87
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.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ILE A 404
ALA A 436
PHE A 446
ILE A 318
LEU A 398
 None
 1.26A 3qg2B-2bihA:
undetectable		 3qg2B-2bihA:
20.31
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.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ILE A 404
ALA A 436
PHE A 446
ILE A 318
LEU A 398
 None
GOL  A 701 ( 3.9A)
None
None
None
 1.29A 3qg2B-2biiA:
undetectable		 3qg2B-2biiA:
19.58
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)
 0.37A 3qg2B-2blbA:
30.6		 3qg2B-2blbA:
30.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 ILE A 126
PHE A  11
ILE A  99
LEU A 130
THR A  87
 None
None
None
None
NAP  A 799 ( 4.8A)
 1.23A 3qg2B-2dpgA:
2.6		 3qg2B-2dpgA:
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.
2fji EXOCYST COMPLEX
COMPONENT SEC6

(Saccharomyces
cerevisiae) 		PF06046
(Sec6) 		5 ILE 1 753
MET 1 717
PHE 1 720
ILE 1 615
LEU 1 668
 None
 1.19A 3qg2B-2fji1:
undetectable		 3qg2B-2fji1:
20.53
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.
2g0t CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF07755
(DUF1611)
PF17396
(DUF1611_N) 		5 ILE A 295
ALA A 243
PHE A 163
LEU A 257
THR A 165
 None
 1.33A 3qg2B-2g0tA:
2.4		 3qg2B-2g0tA:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g8y MALATE/L-LACTATE
DEHYDROGENASES

(Escherichia
coli) 		PF02615
(Ldh_2) 		5 ILE A  38
ALA A  40
SER A 334
ILE A 338
LEU A  12
 None
 1.32A 3qg2B-2g8yA:
undetectable		 3qg2B-2g8yA:
16.96
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) 		6 ALA A  28
ASP A  48
MET A  49
SER A  83
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 ( 4.4A)
None
None
 0.98A 3qg2B-2h2qA:
38.3		 3qg2B-2h2qA:
38.09
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
PHE A  52
SER A  83
ILE A  84
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 ( 4.4A)
None
None
None
 0.38A 3qg2B-2h2qA:
38.3		 3qg2B-2h2qA:
38.09
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.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii) 		PF13419
(HAD_2) 		5 ILE A  43
ASP A  11
PHE A  47
LEU A  25
THR A  17
 None
 1.25A 3qg2B-2hi0A:
3.7		 3qg2B-2hi0A:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ILE A 176
ALA A 172
ILE A 223
LEU A 167
TYR A 269
 None
 1.28A 3qg2B-2i3aA:
undetectable		 3qg2B-2i3aA:
18.89
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)
 0.43A 3qg2B-2oipA:
40.5		 3qg2B-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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		5 ALA A   8
ASN A  47
ILE A  51
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.2A)
None
MTX  A 200 ( 4.4A)
 0.68A 3qg2B-2qk8A:
20.2		 3qg2B-2qk8A:
12.60
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.
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)
 0.36A 3qg2B-2w3wA:
20.6		 3qg2B-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)
 0.72A 3qg2B-2w9sA:
20.6		 3qg2B-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.
2yy7 L-THREONINE
DEHYDROGENASE

(Flavobacterium
frigidimaris) 		PF01370
(Epimerase) 		5 ILE A   5
ALA A  33
MET A  75
ILE A 220
LEU A  22
 None
None
NAD  A3001 (-4.8A)
None
None
 1.31A 3qg2B-2yy7A:
2.6		 3qg2B-2yy7A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z0b PUTATIVE
GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE
5

(Homo sapiens) 		PF00686
(CBM_20) 		5 ILE A  27
ASP A 115
PHE A  13
SER A  68
LEU A  34
 None
 1.28A 3qg2B-2z0bA:
undetectable		 3qg2B-2z0bA:
10.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bdz P450CIN

(Citrobacter
braakii) 		PF00067
(p450) 		5 ILE A 148
ALA A 244
ILE A 394
LEU A 144
THR A 243
 None
None
None
None
HEM  A 450 (-4.3A)
 1.32A 3qg2B-3bdzA:
undetectable		 3qg2B-3bdzA:
19.48
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.
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)
 0.46A 3qg2B-3dfrA:
20.5		 3qg2B-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) 		9 ILE A  14
ALA A  16
ASP A  54
MET A  55
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 ( 3.4A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.64A 3qg2B-3dg8A:
34.2		 3qg2B-3dg8A:
100.00
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
PHE A  58
ASN A 108
SER A 111
ILE A 112
LEU A 164
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.4A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
RJ6  A 609 ( 4.1A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.33A 3qg2B-3dg8A:
34.2		 3qg2B-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.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		5 ILE X 373
ALA X   1
MET X 120
PHE X   3
SER X 313
 C8E  X 454 ( 4.0A)
None
None
C8E  X 454 ( 4.7A)
None
 1.19A 3qg2B-3dwoX:
undetectable		 3qg2B-3dwoX:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.71A 3qg2B-3i8aX:
20.3		 3qg2B-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)
 0.70A 3qg2B-3ia4A:
20.3		 3qg2B-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.
3ia7 CALG4

(Micromonospora
echinospora) 		PF00201
(UDPGT) 		5 ILE A  34
ALA A  49
PHE A   8
ILE A 189
LEU A  27
 None
 1.20A 3qg2B-3ia7A:
undetectable		 3qg2B-3ia7A:
17.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  16
ASP A  37
SER A  72
ILE A  73
LEU A 123
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
None
None
 0.52A 3qg2B-3kjrA:
41.7		 3qg2B-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.
3lgx D-ALANINE--POLY(PHOS
PHORIBITOL) LIGASE
SUBUNIT 1

(Streptococcus
pyogenes) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 319
ALA A 291
ASP A 267
SER A 326
LEU A 391
 ATP  A 600 ( 4.7A)
None
ATP  A 600 (-4.1A)
None
None
 1.34A 3qg2B-3lgxA:
undetectable		 3qg2B-3lgxA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n5l BINDING PROTEIN
COMPONENT OF ABC
PHOSPHONATE
TRANSPORTER

(Pseudomonas
aeruginosa) 		PF12974
(Phosphonate-bd) 		5 ALA A 163
SER A 118
ILE A 226
LEU A 155
THR A 291
 EDO  A 411 (-3.9A)
None
None
None
None
 1.24A 3qg2B-3n5lA:
undetectable		 3qg2B-3n5lA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3qg2B-3pvcA:
undetectable		 3qg2B-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.
3r8r TRANSALDOLASE

(Bacillus
subtilis) 		PF00923
(TAL_FSA) 		5 ILE A  21
ALA A  23
MET A   1
PHE A   3
ILE A 166
 None
 1.15A 3qg2B-3r8rA:
undetectable		 3qg2B-3r8rA:
15.93
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
ASP A  54
MET A  55
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 (-3.7A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
None
WRA  A 602 (-4.2A)
 0.79A 3qg2B-3rg9A:
21.1		 3qg2B-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.
3sl2 SENSOR HISTIDINE
KINASE YYCG

(Bacillus
subtilis) 		PF02518
(HATPase_c) 		5 ILE A 500
PHE A 596
ILE A 454
LEU A 497
THR A 593
 None
 1.15A 3qg2B-3sl2A:
undetectable		 3qg2B-3sl2A:
13.76
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.
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 3qg2B-3tq9A:
20.2		 3qg2B-3tq9A:
14.83
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.
3tzg HYPOTHETICAL PROTEIN
BVU_2266

(Bacteroides
vulgatus) 		no annotation 5 ASP A 152
PHE A 151
ASN A 191
ILE A 197
LEU A 215
 None
 1.14A 3qg2B-3tzgA:
undetectable		 3qg2B-3tzgA:
18.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
ASP A  54
MET A  55
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 ( 3.7A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
1CY  A 609 (-4.3A)
 0.40A 3qg2B-3um6A:
51.6		 3qg2B-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) 		8 ALA A   8
ASP A  28
MET A  29
PHE A  32
SER A  56
ILE A  57
TYR A 117
THR A 133
 None
 0.79A 3qg2B-3vcoA:
19.6		 3qg2B-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.
3wd8 TYPE III POLYKETIDE
SYNTHASE QUINOLONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 279
PHE A 371
SER A 241
ILE A 383
LEU A 283
 None
 1.15A 3qg2B-3wd8A:
undetectable		 3qg2B-3wd8A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a05 CELLOBIOHYDROLASE
FAMILY 6

(Chaetomium
thermophilum) 		PF01341
(Glyco_hydro_6) 		5 ILE A 233
ASP A 171
PHE A 174
ILE A 243
LEU A 237
 None
NAG  A 500 (-3.6A)
None
None
None
 1.12A 3qg2B-4a05A:
undetectable		 3qg2B-4a05A:
18.84
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.
4bwf UBIQUITIN-CONJUGATIN
G ENZYME E2-21 KDA

(Saccharomyces
cerevisiae) 		PF00179
(UQ_con) 		5 ILE A  29
ASP A 129
ASN A  41
ILE A  46
LEU A  33
 None
 1.30A 3qg2B-4bwfA:
undetectable		 3qg2B-4bwfA:
15.47
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.
4f52 GLOMULIN

(Homo sapiens) 		PF08568
(Kinetochor_Ybp2) 		5 ILE E 143
ALA E 146
SER E 215
ILE E 244
LEU E 208
 None
 1.32A 3qg2B-4f52E:
undetectable		 3qg2B-4f52E:
23.34
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.
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)
 0.54A 3qg2B-4g8zX:
21.9		 3qg2B-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.
4h5g AMINO ACID ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF00497
(SBP_bac_3) 		5 ILE A 110
ASN A 129
ILE A 131
TYR A 126
THR A  46
 ARG  A 310 (-4.7A)
None
None
None
None
 1.21A 3qg2B-4h5gA:
undetectable		 3qg2B-4h5gA:
16.50
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.
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)
 0.67A 3qg2B-4h96A:
19.8		 3qg2B-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) 		8 ILE A   9
ALA A  11
MET A  33
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 (-4.0A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
14Q  A 302 (-4.2A)
 0.48A 3qg2B-4h98A:
20.6		 3qg2B-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.
4hao PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Yersinia pestis) 		PF01513
(NAD_kinase) 		5 ILE A 146
ASN A 268
ILE A  88
LEU A 267
THR A 144
 None
 1.16A 3qg2B-4haoA:
undetectable		 3qg2B-4haoA:
19.70
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.
4iiw LMO1499 PROTEIN

(Listeria
monocytogenes) 		PF02618
(YceG) 		5 ILE A 249
ALA A 314
PHE A 253
SER A 305
ILE A 304
 None
 1.29A 3qg2B-4iiwA:
undetectable		 3qg2B-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.
4j4x NP PROTEIN

(Sandfly fever
Naples
phlebovirus) 		PF05733
(Tenui_N) 		5 ILE A 158
PHE A 155
ILE A 240
LEU A 224
THR A 120
 None
 1.20A 3qg2B-4j4xA:
undetectable		 3qg2B-4j4xA:
16.18
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.
4jn7 ENOLASE

(Agrobacterium
tumefaciens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 186
ALA A 147
PHE A 136
ILE A 333
LEU A 150
 None
 1.31A 3qg2B-4jn7A:
undetectable		 3qg2B-4jn7A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.36A 3qg2B-4m2xA:
19.3		 3qg2B-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)
 0.23A 3qg2B-4m7vA:
20.2		 3qg2B-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.
4nu2 ANTIFREEZE PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		5 ILE A 247
ALA A 228
ILE A 180
LEU A 231
THR A 245
 None
 1.15A 3qg2B-4nu2A:
undetectable		 3qg2B-4nu2A:
18.01
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.
4nu3 ICE-BINDING PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		5 ILE A 227
ALA A 208
ILE A 160
LEU A 211
THR A 225
 None
 1.17A 3qg2B-4nu3A:
undetectable		 3qg2B-4nu3A:
18.38
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.
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)
 0.38A 3qg2B-4p68A:
20.8		 3qg2B-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.
4ums CELLULOSOMAL
ANCHORING SCAFFOLDIN
B

(Pseudobacteroides
cellulosolvens) 		PF00963
(Cohesin) 		5 ILE A1179
ALA A1084
PHE A1138
ILE A1113
LEU A1151
 None
 1.19A 3qg2B-4umsA:
undetectable		 3qg2B-4umsA:
13.46
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.
4uzy FLAGELLAR ASSOCIATED
PROTEIN

(Chlamydomonas
reinhardtii) 		PF12895
(ANAPC3)
PF13174
(TPR_6) 		5 ILE A 585
PHE A 642
SER A 561
ILE A 559
LEU A 584
 None
 1.16A 3qg2B-4uzyA:
undetectable		 3qg2B-4uzyA:
22.70
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.
4w6q GLUCOSYLTRANSFERASE

(Streptococcus
agalactiae) 		no annotation 5 ILE A 183
PHE A 182
SER A 285
ILE A 284
LEU A 192
 None
 1.10A 3qg2B-4w6qA:
2.0		 3qg2B-4w6qA:
18.83
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.
4x9e DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE

(Escherichia
coli) 		PF01966
(HD) 		5 ILE A   4
ALA A  96
PHE A   6
ILE A  84
LEU A 356
 None
 1.30A 3qg2B-4x9eA:
undetectable		 3qg2B-4x9eA:
20.16
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.
4xhb SIALIDASE B

(Streptococcus
pneumoniae) 		PF02012
(BNR)
PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ILE A 208
PHE A  88
SER A 150
ILE A 177
LEU A 210
 None
 1.33A 3qg2B-4xhbA:
undetectable		 3qg2B-4xhbA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ILE A1071
ALA A1243
PHE A1136
LEU A1248
THR A1240
 None
 1.28A 3qg2B-4zxiA:
undetectable		 3qg2B-4zxiA:
17.59
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.
5a3y THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ILE A 164
ALA A 153
SER A 291
ILE A 266
LEU A 284
 None
 1.26A 3qg2B-5a3yA:
undetectable		 3qg2B-5a3yA:
21.68
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.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 ILE D 438
ASP D 430
PHE D 606
ASN D 434
LEU D 435
 None
 1.31A 3qg2B-5a6bD:
undetectable		 3qg2B-5a6bD:
21.17
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.
5czj DIHYDRODIPICOLINATE
SYNTHASE

(Sinorhizobium
meliloti) 		PF00701
(DHDPS) 		5 ILE A 134
ALA A 136
PHE A 163
ILE A 155
LEU A 169
 None
 1.32A 3qg2B-5czjA:
undetectable		 3qg2B-5czjA:
17.59
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  48
SER A  66
ILE A  67
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
CME  A 140 ( 4.5A)
 0.66A 3qg2B-5dxvA:
11.8		 3qg2B-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.
5e55 CONTACTIN-6

(Mus musculus) 		PF00041
(fn3) 		5 ILE A 633
ALA A 647
SER A 610
ILE A 609
LEU A 616
 None
 1.21A 3qg2B-5e55A:
undetectable		 3qg2B-5e55A:
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.
5ek0 CHIMERA OF BACTERIAL
ION TRANSPORT
PROTEIN AND HUMAN
SODIUM CHANNEL
PROTEIN TYPE 9
SUBUNIT ALPHA

(Arcobacter
butzleri;
Homo sapiens) 		PF00520
(Ion_trans) 		5 ALA A1615
PHE A1570
SER A1578
ILE A1577
LEU A1610
 None
 1.08A 3qg2B-5ek0A:
undetectable		 3qg2B-5ek0A:
18.95
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.
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
 0.47A 3qg2B-5fdaA:
14.8		 3qg2B-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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ILE A 164
ALA A 153
SER A 291
ILE A 266
LEU A 284
 None
 1.26A 3qg2B-5fxnA:
undetectable		 3qg2B-5fxnA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 ALA A 360
ASP A 357
PHE A 356
ILE A 288
LEU A 372
 None
 1.32A 3qg2B-5hqbA:
undetectable		 3qg2B-5hqbA:
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.
5hqb ALPHA-GLUCOSIDASE

(Pseudoalteromonas
sp. K8) 		PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C) 		5 ILE A 358
ALA A 360
PHE A 356
ILE A 288
LEU A 372
 None
 1.31A 3qg2B-5hqbA:
undetectable		 3qg2B-5hqbA:
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.
5j6z ANASTELLIN
FIBRONECTIN

(Homo sapiens) 		PF00041
(fn3)
no annotation 		5 ASP A  12
PHE B  99
SER B  87
ILE B  86
LEU B  47
 None
 1.33A 3qg2B-5j6zA:
undetectable		 3qg2B-5j6zA:
4.94
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 ILE A 571
MET A 606
PHE A 626
ILE A 179
LEU A 613
 None
 1.16A 3qg2B-5lq3A:
undetectable		 3qg2B-5lq3A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 5 ASP A 687
PHE A 689
ASN A 578
SER A 697
LEU A 554
 None
 1.32A 3qg2B-5m41A:
undetectable		 3qg2B-5m41A:
10.59
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 14
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17

(Schizosaccharomyces
pombe) 		PF08638
(Med14)
PF10156
(Med17) 		5 ILE A 165
ALA A 185
ILE W  41
LEU A 161
THR A 190
 None
 1.27A 3qg2B-5n9jA:
undetectable		 3qg2B-5n9jA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o0j ADP-DEPENDENT
GLUCOKINASE

(Pyrococcus
horikoshii) 		no annotation 5 ILE A 225
PHE A 222
SER A 235
ILE A 234
LEU A  29
 None
 1.26A 3qg2B-5o0jA:
undetectable		 3qg2B-5o0jA:
10.82
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.
5oqr CONDENSIN COMPLEX
SUBUNIT 3

(Schizosaccharomyces
pombe) 		no annotation 5 ILE A 707
PHE A 764
SER A 752
ILE A 749
LEU A 688
 None
 1.12A 3qg2B-5oqrA:
undetectable		 3qg2B-5oqrA:
23.51
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)
 0.38A 3qg2B-5t0lA:
42.3		 3qg2B-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.
5uxg ALDEHYDE
DEFORMYLATING
OXYGENASE

(Sulfurisphaera
tokodaii) 		no annotation 5 ILE A  16
ASP A   2
PHE A 134
ILE A 141
LEU A 122
 None
 1.24A 3qg2B-5uxgA:
undetectable		 3qg2B-5uxgA:
9.41
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.
5vcs ALPHA-1,6-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE

(Homo sapiens) 		no annotation 5 ILE A 395
PHE A 373
ASN A 402
ILE A 369
LEU A 399
 None
 1.26A 3qg2B-5vcsA:
undetectable		 3qg2B-5vcsA:
9.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 241
ALA A 235
PHE A 218
ILE A 366
LEU A 196
 None
 1.09A 3qg2B-6aonA:
undetectable		 3qg2B-6aonA:
19.87
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 5 ILE A 453
ALA A 423
ASP A 421
ILE A 483
LEU A 429
 None
 1.10A 3qg2B-6cczA:
undetectable		 3qg2B-6cczA:
11.58
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.
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 3qg2B-6cxmA:
5.1		 3qg2B-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)
 0.85A 3qg2B-6e4eA:
6.7		 3qg2B-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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE

(Paenibacillus
sp. YM1) 		no annotation 5 ILE A 236
ALA A 247
ASN A  73
ILE A 163
LEU A 242
 None
 1.17A 3qg2B-6gh2A:
undetectable		 3qg2B-6gh2A:
10.58