SIMILAR PATTERNS OF AMINO ACIDS FOR 1DHF_B_FOLB187

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 ALA A   8
PHE A  31
THR A  47
ILE A  51
LEU A  55
ARG A  58
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
None
 0.65A 1dhfB-1cz3A:
16.4		 1dhfB-1cz3A:
28.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		8 ALA A   9
PHE A  34
THR A  56
ILE A  60
ASN A  64
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.67A 1dhfB-1dr6A:
31.9		 1dhfB-1dr6A:
74.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		9 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
LEU A  67
ARG A  70
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.36A 1dhfB-1dr6A:
31.9		 1dhfB-1dr6A:
74.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		5 ILE M 185
PHE M 140
ILE M  50
ASN M  49
THR M 255
 None
None
GOL  M 933 ( 4.8A)
None
None
 1.13A 1dhfB-1dwaM:
undetectable		 1dhfB-1dwaM:
17.67
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.
1ekq HYDROXYETHYLTHIAZOLE
KINASE

(Bacillus
subtilis) 		PF02110
(HK) 		5 ILE A 127
ALA A 125
ILE A  66
ASN A  65
LEU A  93
 None
 1.18A 1dhfB-1ekqA:
undetectable		 1dhfB-1ekqA:
22.66
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.
1eyy ALDEHYDE
DEHYDROGENASE

(Vibrio harveyi) 		PF00171
(Aldedh) 		5 GLN A 418
THR A 260
ILE A 409
LEU A 422
THR A 300
 None
 1.13A 1dhfB-1eyyA:
undetectable		 1dhfB-1eyyA:
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.
1ouu HEMOGLOBIN I

(Oncorhynchus
mykiss) 		PF00042
(Globin) 		5 ILE B  11
ALA B  13
PHE B 118
ILE B  23
LEU B 110
 None
 1.09A 1dhfB-1ouuB:
undetectable		 1dhfB-1ouuB:
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.
1rq1 HYPOTHETICAL 65.0
KDA PROTEIN IN
COX14-COS3
INTERGENIC REGION
PRECURSOR

(Saccharomyces
cerevisiae) 		PF04137
(ERO1) 		5 ALA A 281
PHE A 403
ILE A  62
ASN A  63
LEU A  59
 None
 1.12A 1dhfB-1rq1A:
undetectable		 1dhfB-1rq1A:
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.
1te5 CONSERVED
HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF13230
(GATase_4) 		5 ILE A  16
PHE A  18
GLN A  66
ILE A  79
LEU A 208
 None
 1.20A 1dhfB-1te5A:
undetectable		 1dhfB-1te5A:
22.64
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) 		12 ILE A   7
ALA A   9
PHE A  31
PHE A  34
GLN A  35
THR A  56
ILE A  60
ASN A  64
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 (-4.3A)
MTX  A 187 (-3.7A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.2A)
MTX  A 187 (-3.6A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.35A 1dhfB-1u70A:
31.1		 1dhfB-1u70A:
89.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		10 ILE A   7
ALA A   9
PHE A  34
THR A  56
ILE A  60
ASN A  64
LEU A  67
ARG A  70
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
MXA  A 187 (-4.5A)
None
None
None
MXA  A 187 (-4.3A)
 0.32A 1dhfB-1u71A:
32.2		 1dhfB-1u71A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ILE A   7
PHE A  31
PHE A  34
THR A  56
ILE A  60
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-4.3A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
MXA  A 187 ( 4.7A)
None
 1.23A 1dhfB-1u71A:
32.2		 1dhfB-1u71A:
99.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x0m AMINOTRANSFERASE II
HOMOLOGUE

(Pyrococcus
horikoshii) 		PF00155
(Aminotran_1_2) 		5 ILE A 270
ALA A 272
PHE A 267
ILE A 125
LEU A 107
 None
 1.22A 1dhfB-1x0mA:
undetectable		 1dhfB-1x0mA:
20.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.57A 1dhfB-1zdrA:
20.7		 1dhfB-1zdrA:
33.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkh SPLICING FACTOR 3
SUBUNIT 1

(Homo sapiens) 		PF00240
(ubiquitin) 		5 ILE A  41
ALA A  44
GLN A   7
THR A  15
ASN A  10
 None
 1.14A 1dhfB-1zkhA:
undetectable		 1dhfB-1zkhA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ILE A 558
ALA A 432
ILE A 568
LEU A 575
THR A 469
 None
 1.18A 1dhfB-2b3xA:
undetectable		 1dhfB-2b3xA:
12.74
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
PHE A  57
ILE A 121
LEU A 128
ARG A 131
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
CP7  A1240 (-4.1A)
 0.54A 1dhfB-2blbA:
22.2		 1dhfB-2blbA:
29.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ejx STK_08120

(Sulfurisphaera
tokodaii) 		PF11485
(DUF3211) 		5 ILE A  20
PHE A  26
ILE A  31
ASN A 115
LEU A 119
 None
 1.09A 1dhfB-2ejxA:
undetectable		 1dhfB-2ejxA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gtr CHROMODOMAIN Y-LIKE
PROTEIN

(Homo sapiens) 		PF00378
(ECH_1) 		5 ILE A   7
GLN A  39
ILE A 104
LEU A  42
THR A  22
 None
 1.01A 1dhfB-2gtrA:
undetectable		 1dhfB-2gtrA:
22.31
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
PHE A  52
THR A  80
ILE A  84
LEU A  91
ARG A  94
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.31A 1dhfB-2h2qA:
22.1		 1dhfB-2h2qA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mb9 B-CELL
LYMPHOMA/LEUKEMIA 10

(Homo sapiens) 		PF00619
(CARD) 		5 ILE A  33
ALA A  43
THR A  52
ASN A  75
LEU A  72
 None
 1.17A 1dhfB-2mb9A:
undetectable		 1dhfB-2mb9A:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  67
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.68A 1dhfB-2oipA:
22.7		 1dhfB-2oipA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4g HYPOTHETICAL PROTEIN

(Corynebacterium
diphtheriae) 		PF01872
(RibD_C) 		5 ILE A  38
THR A  81
ARG A  69
TYR A 199
THR A 214
 EDO  A 278 (-4.7A)
EDO  A 284 ( 3.5A)
EDO  A 275 (-2.8A)
EDO  A 280 (-4.3A)
None
 1.07A 1dhfB-2p4gA:
13.8		 1dhfB-2p4gA:
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.
2phl PHASEOLIN

(Phaseolus
vulgaris) 		PF00190
(Cupin_1) 		5 ILE A 131
GLN A 110
THR A 319
ILE A 241
LEU A  75
 None
 1.07A 1dhfB-2phlA:
undetectable		 1dhfB-2phlA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qf7 PYRUVATE CARBOXYLASE
PROTEIN

(Rhizobium etli) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A 381
ALA A 376
GLN A 351
ILE A 442
LEU A 350
 None
 1.07A 1dhfB-2qf7A:
undetectable		 1dhfB-2qf7A:
10.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		6 ALA A   8
ILE A  51
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.76A 1dhfB-2qk8A:
20.8		 1dhfB-2qk8A:
33.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN

(Bacillus
thuringiensis) 		PF01338
(Bac_thur_toxin) 		5 ILE A 186
ALA A  57
THR A 180
ILE A 126
LEU A 122
 ILE  A 186 ( 0.7A)
ALA  A  57 ( 0.0A)
THR  A 180 ( 0.8A)
ILE  A 126 ( 0.6A)
LEU  A 122 ( 0.6A)
 1.16A 1dhfB-2rciA:
undetectable		 1dhfB-2rciA:
23.29
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) 		7 ALA A  11
PHE A  35
THR A  50
LEU A  61
ARG A  64
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
VG9  A1168 ( 4.7A)
 0.50A 1dhfB-2w3wA:
21.7		 1dhfB-2w3wA:
32.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
THR A  46
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.63A 1dhfB-2w9sA:
20.7		 1dhfB-2w9sA:
32.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 ILE A 593
ALA A 539
GLN A 417
ILE A 481
ASN A 495
 None
 1.02A 1dhfB-2wghA:
undetectable		 1dhfB-2wghA:
15.81
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.
2xpz LEUKOTRIENE A-4
HYDROLASE

(Saccharomyces
cerevisiae) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 ALA A 243
GLN A  92
ILE A 155
ASN A 154
LEU A 153
 None
 1.20A 1dhfB-2xpzA:
undetectable		 1dhfB-2xpzA:
13.67
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.
2zii VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 74

(Saccharomyces
cerevisiae) 		PF05719
(GPP34) 		5 ILE A 287
ALA A 254
PHE A 291
ILE A 318
LEU A 298
 None
 1.11A 1dhfB-2ziiA:
undetectable		 1dhfB-2ziiA:
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.
2zuc DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Sulfolobus
solfataricus) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 ALA A 297
GLN A 126
THR A 110
ILE A 252
LEU A 127
 None
 1.19A 1dhfB-2zucA:
undetectable		 1dhfB-2zucA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 357
THR A 336
ILE A 361
ASN A 409
LEU A 261
 None
None
NAD  A 550 (-4.4A)
NAD  A 550 (-3.0A)
None
 1.20A 1dhfB-3ce6A:
3.5		 1dhfB-3ce6A:
17.36
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.
3clo TRANSCRIPTIONAL
REGULATOR

(Bacteroides
thetaiotaomicron) 		PF00196
(GerE) 		5 ILE A  47
ALA A  45
PHE A  33
GLN A  29
THR A  58
 None
 1.17A 1dhfB-3cloA:
undetectable		 1dhfB-3cloA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
PHE A  30
THR A  45
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.61A 1dhfB-3dfrA:
21.4		 1dhfB-3dfrA:
31.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ALA A  16
PHE A  58
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.41A 1dhfB-3dg8A:
22.6		 1dhfB-3dg8A:
25.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwo PROBABLE OUTER
MEMBRANE PROTEIN

(Pseudomonas
aeruginosa) 		PF03349
(Toluene_X) 		5 ILE X 373
ALA X   1
PHE X   3
ASN X 238
LEU X 282
 C8E  X 454 ( 4.0A)
None
C8E  X 454 ( 4.7A)
None
C8E  X 454 ( 4.9A)
 1.14A 1dhfB-3dwoX:
undetectable		 1dhfB-3dwoX:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		5 ALA A 112
PHE A 204
THR A 200
ILE A  88
LEU A 139
 None
 1.03A 1dhfB-3emvA:
undetectable		 1dhfB-3emvA:
19.84
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.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 294
THR A 273
ILE A 298
ASN A 345
LEU A 198
 None
None
NAD  A 439 (-4.6A)
NAD  A 439 (-3.1A)
None
 1.14A 1dhfB-3g1uA:
undetectable		 1dhfB-3g1uA:
17.95
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 338
THR A 317
ILE A 342
ASN A 387
LEU A 242
 None
None
NAD  A 601 (-4.3A)
NAD  A 601 (-3.0A)
None
 1.16A 1dhfB-3glqA:
undetectable		 1dhfB-3glqA:
17.55
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.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 294
THR A 273
ILE A 298
ASN A 345
LEU A 198
 None
None
NAD  A 438 (-4.4A)
NAD  A 438 (-2.9A)
None
 1.14A 1dhfB-3h9uA:
undetectable		 1dhfB-3h9uA:
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
THR X  46
ILE X  50
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
NDP  X 207 (-3.2A)
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.76A 1dhfB-3i8aX:
20.3		 1dhfB-3i8aX:
29.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
PHE A  32
THR A  47
ILE A  51
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
MTX  A 164 (-4.3A)
 0.64A 1dhfB-3ia4A:
21.1		 1dhfB-3ia4A:
30.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		7 ILE A   8
ALA A  10
PHE A  34
THR A  49
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.73A 1dhfB-3ix9A:
20.9		 1dhfB-3ix9A:
32.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kao TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE

(Staphylococcus
aureus) 		PF01791
(DeoC) 		5 ALA A  57
PHE A  26
ILE A  49
LEU A  32
THR A  61
 None
 0.88A 1dhfB-3kaoA:
undetectable		 1dhfB-3kaoA:
23.25
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  16
THR A  69
ILE A  73
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-3.6A)
None
None
None
None
None
 0.72A 1dhfB-3kjrA:
23.0		 1dhfB-3kjrA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3orh GUANIDINOACETATE
N-METHYLTRANSFERASE

(Homo sapiens) 		no annotation 5 ILE A 132
ALA A  57
GLN A 148
ILE A 207
LEU A 197
 None
 1.19A 1dhfB-3orhA:
3.1		 1dhfB-3orhA:
20.85
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.
3oss TYPE 2 SECRETION
SYSTEM, SECRETIN
GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		5 ILE D  41
ALA D   7
ILE D  18
LEU D  60
THR D  43
 None
 1.12A 1dhfB-3ossD:
undetectable		 1dhfB-3ossD:
23.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p13 D-RIBOSE PYRANASE

(Staphylococcus
aureus) 		PF05025
(RbsD_FucU) 		5 ILE A  90
PHE A  53
GLN A  85
ILE A  75
ASN A  79
 None
 0.90A 1dhfB-3p13A:
undetectable		 1dhfB-3p13A:
21.97
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.
3p13 D-RIBOSE PYRANASE

(Staphylococcus
aureus) 		PF05025
(RbsD_FucU) 		5 ILE A  90
PHE A  53
ILE A  75
ASN A  79
LEU A  83
 None
 1.17A 1dhfB-3p13A:
undetectable		 1dhfB-3p13A:
21.97
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		7 ALA A  34
PHE A  58
THR A  86
LEU A  97
ARG A 100
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
None
None
WRA  A 602 (-4.2A)
 0.37A 1dhfB-3rg9A:
22.1		 1dhfB-3rg9A:
28.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tgw V-TYPE ATP SYNTHASE
BETA CHAIN

(Methanosarcina
mazei) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 ILE A 302
GLN A 325
ILE A 134
ASN A 138
LEU A 146
 None
 1.20A 1dhfB-3tgwA:
undetectable		 1dhfB-3tgwA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tp9 BETA-LACTAMASE AND
RHODANESE DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00581
(Rhodanese)
PF00753
(Lactamase_B) 		5 ILE A 347
ALA A 341
ILE A 439
ASN A 305
LEU A 304
 None
 1.21A 1dhfB-3tp9A:
undetectable		 1dhfB-3tp9A:
17.58
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		8 ILE A   6
ALA A   8
PHE A  32
THR A  47
ILE A  51
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.52A 1dhfB-3tq9A:
21.5		 1dhfB-3tq9A:
29.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
PHE A  58
THR A 108
ILE A 112
LEU A 119
ARG A 122
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
1CY  A 609 (-4.4A)
None
None
None
1CY  A 609 (-4.3A)
 0.52A 1dhfB-3um6A:
22.3		 1dhfB-3um6A:
13.98
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) 		8 ALA A   8
PHE A  32
THR A  53
ILE A  57
LEU A  64
ARG A  67
TYR A 117
THR A 133
 None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.66A 1dhfB-3vcoA:
23.6		 1dhfB-3vcoA:
36.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		5 ILE B1400
ALA B1402
PHE B1312
ILE B1319
TYR B1389
 None
 1.11A 1dhfB-3zefB:
undetectable		 1dhfB-3zefB:
8.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zxy SUBTILISIN-LIKE
PROTEIN

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		5 ALA A 150
THR A 124
LEU A 133
TYR A 190
THR A 221
 None
 1.11A 1dhfB-3zxyA:
undetectable		 1dhfB-3zxyA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 329
ALA A 379
PHE A 366
LEU A 389
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
PCG  A1423 (-3.0A)
 1.20A 1dhfB-4d7sA:
undetectable		 1dhfB-4d7sA:
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.
4eu2 PROTEASOME COMPONENT
C7-ALPHA

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ILE A  72
GLN A  56
ILE A 207
LEU A 223
THR A 142
 None
 1.20A 1dhfB-4eu2A:
undetectable		 1dhfB-4eu2A:
20.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		10 ILE X  10
ALA X  12
PHE X  36
THR X  61
ILE X  65
ASN X  69
LEU X  72
ARG X  75
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
TOP  X 301 ( 4.3A)
None
None
None
None
TOP  X 301 (-4.5A)
 0.43A 1dhfB-4g8zX:
24.7		 1dhfB-4g8zX:
37.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gul PIRIN

(Homo sapiens) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		5 ILE A 152
PHE A  42
ILE A 197
LEU A  68
THR A 169
 None
 0.93A 1dhfB-4gulA:
undetectable		 1dhfB-4gulA:
22.81
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.
4h6w N-TERMINAL
CYANOBACTIN PROTEASE

(Planktothrix
agardhii) 		PF00082
(Peptidase_S8) 		5 ALA A 153
THR A 127
LEU A 136
TYR A 193
THR A 224
 None
 1.12A 1dhfB-4h6wA:
undetectable		 1dhfB-4h6wA:
20.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
14Q  A 202 ( 4.8A)
None
None
None
14Q  A 202 ( 4.6A)
 0.65A 1dhfB-4h96A:
21.1		 1dhfB-4h96A:
33.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
PHE A  36
THR A  58
ILE A  62
LEU A  69
ARG A  72
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.2A)
None
None
None
14Q  A 302 (-4.2A)
 0.43A 1dhfB-4h98A:
22.0		 1dhfB-4h98A:
37.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j6c CYTOCHROME P450
MONOOXYGENASE

(Nocardia
farcinica) 		PF00067
(p450) 		5 ILE A 253
ALA A 256
PHE A 375
ILE A 406
LEU A 133
 None
 1.20A 1dhfB-4j6cA:
undetectable		 1dhfB-4j6cA:
15.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jhm MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Pseudovibrio
sp. JE062) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 107
ALA A  51
ILE A  71
LEU A  90
THR A 304
 None
 1.19A 1dhfB-4jhmA:
undetectable		 1dhfB-4jhmA:
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.
4jkg PRE-MRNA-PROCESSING-
SPLICING FACTOR 8

(Homo sapiens) 		PF12134
(PRP8_domainIV) 		5 ILE B1777
PHE B1893
PHE B1779
ILE B1937
LEU B1889
 None
 1.19A 1dhfB-4jkgB:
undetectable		 1dhfB-4jkgB:
24.89
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.
4k90 EXTRACELLULAR
METALLOPROTEINASE
MEP
EXTRACELLULAR
METALLOPROTEINASE
MEP

(Aspergillus
fumigatus;
Aspergillus
fumigatus) 		PF02128
(Peptidase_M36)
PF07504
(FTP) 		5 ALA B  48
ILE A 603
ASN A 599
LEU A 566
TYR B  45
 None
 1.13A 1dhfB-4k90B:
undetectable		 1dhfB-4k90B:
21.33
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT
ELECTRON TRANSFER
FLAVOPROTEIN
ALPHA/BETA-SUBUNIT

(Acidaminococcus
fermentans;
Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF)
PF01012
(ETF) 		5 ALA A 244
PHE A 280
PHE A 221
THR B 262
ILE B 260
 None
 1.21A 1dhfB-4kpuA:
2.2		 1dhfB-4kpuA:
17.82
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.
4lm8 EXTRACELLULAR IRON
OXIDE RESPIRATORY
SYSTEM SURFACE
DECAHEME CYTOCHROME
C COMPONENT MTRC

(Shewanella
oneidensis) 		PF14522
(Cytochrome_C7) 		5 ILE A 377
ALA A 537
THR A 337
ILE A 335
LEU A 374
 HEC  A 807 ( 4.4A)
None
None
None
None
 1.12A 1dhfB-4lm8A:
undetectable		 1dhfB-4lm8A:
13.75
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.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 336
THR A 315
ILE A 340
ASN A 385
LEU A 240
 None
None
NAD  A 503 (-4.3A)
NAD  A 503 (-3.1A)
None
 1.15A 1dhfB-4lvcA:
undetectable		 1dhfB-4lvcA:
17.40
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) 		8 ILE A   5
ALA A   7
PHE A  31
THR A  46
LEU A  57
ARG A  60
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
None
TMQ  A 202 (-4.2A)
 0.39A 1dhfB-4m2xA:
20.9		 1dhfB-4m2xA:
31.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
PHE A  31
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.72A 1dhfB-4m7vA:
20.1		 1dhfB-4m7vA:
31.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ILE A   5
ALA A   7
PHE A  31
THR A  46
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
NAP  A 201 (-3.0A)
RAR  A 200 (-4.4A)
 0.31A 1dhfB-4m7vA:
20.1		 1dhfB-4m7vA:
31.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mlc EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfitobacterium
hafniense) 		PF13458
(Peripla_BP_6) 		5 ILE A 200
ALA A 204
ILE A 126
LEU A 130
THR A 209
 None
 1.14A 1dhfB-4mlcA:
2.1		 1dhfB-4mlcA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nl4 PRIMOSOME ASSEMBLY
PROTEIN PRIA

(Klebsiella
pneumoniae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE H 690
GLN H 693
THR H 707
ILE H 703
LEU H 669
 None
 1.14A 1dhfB-4nl4H:
undetectable		 1dhfB-4nl4H:
13.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  31
THR A  46
ILE A  50
ARG A  57
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
MTX  A 201 ( 4.5A)
 0.39A 1dhfB-4p68A:
21.0		 1dhfB-4p68A:
31.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udn PERIPLASMIC SOLUTE
BINDING PROTEIN

(Candidatus
Liberibacter
asiaticus) 		PF01297
(ZnuA) 		5 ALA A 238
THR A 273
ILE A 270
LEU A 244
THR A 236
 None
 1.21A 1dhfB-4udnA:
undetectable		 1dhfB-4udnA:
20.74
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 ALA A   6
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
 1.28A 1dhfB-5dxvA:
12.3		 1dhfB-5dxvA:
27.84
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
PHE A  48
THR A  63
ILE A  67
LEU A  71
ARG A  74
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
CME  A 140 ( 4.5A)
 0.63A 1dhfB-5dxvA:
12.3		 1dhfB-5dxvA:
27.84
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.
5e31 PENICILLIN BINDING
PROTEIN 2 PRIME

(Enterococcus
faecium) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N) 		5 ILE A 548
ALA A 551
THR A 346
ILE A 347
LEU A 274
 None
 1.21A 1dhfB-5e31A:
undetectable		 1dhfB-5e31A:
14.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
THR A  47
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.49A 1dhfB-5fdaA:
14.4		 1dhfB-5fdaA:
31.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
THR A  47
LEU A  55
ARG A  58
TYR A 101
THR A 114
 None
 1.06A 1dhfB-5fdaA:
14.4		 1dhfB-5fdaA:
31.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gpl PUTATIVE NUCLEOSOME
ASSEMBLY PROTEIN
C36B7.08C

(Schizosaccharomyces
pombe) 		PF00956
(NAP) 		5 ALA A 200
PHE A  49
ILE A  79
ASN A  78
LEU A  76
 None
 1.21A 1dhfB-5gplA:
undetectable		 1dhfB-5gplA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hus TREHALOSE SYNTHASE
REGULATORY PROTEIN

(Candida
albicans) 		PF02358
(Trehalose_PPase) 		5 ILE A 200
ALA A 147
ILE A 111
LEU A 207
THR A 148
 None
 1.07A 1dhfB-5husA:
2.8		 1dhfB-5husA:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6e ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		5 ILE A1347
GLN A1354
ILE A1427
LEU A1357
TYR A1080
 None
 1.09A 1dhfB-5i6eA:
undetectable		 1dhfB-5i6eA:
12.48
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  10
PHE A  32
PHE A  35
THR A  83
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-4.7A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
None
None
73X  A 704 (-4.2A)
 0.33A 1dhfB-5t0lA:
24.2		 1dhfB-5t0lA:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u0s MEDIATOR COMPLEX
SUBUNIT 6
MEDIATOR COMPLEX
SUBUNIT 8

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF04934
(Med6)
PF10232
(Med8) 		5 ILE H  16
THR H  74
ILE H  76
LEU F 124
ARG F 128
 None
 1.02A 1dhfB-5u0sH:
undetectable		 1dhfB-5u0sH:
22.93
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.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 336
THR A 315
ILE A 340
ASN A 388
LEU A 240
 None
None
NAD  A 501 (-4.4A)
NAD  A 501 (-3.1A)
None
 1.18A 1dhfB-5v96A:
3.6		 1dhfB-5v96A:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 295
THR A 274
ILE A 299
ASN A 346
LEU A 199
 None
None
NAD  A 501 (-4.3A)
NAD  A 501 (-3.1A)
None
 1.15A 1dhfB-5w4bA:
3.8		 1dhfB-5w4bA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wch PROBABLE UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE FAF-X

(Homo sapiens) 		no annotation 5 ILE A1744
ALA A1948
PHE A1921
PHE A1816
GLN A1748
 None
 1.14A 1dhfB-5wchA:
undetectable		 1dhfB-5wchA:
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.
5wut ULAM111

(Flavobacterium
sp.) 		no annotation 5 ALA A  87
PHE A  13
THR A  74
ILE A  72
LEU A  18
 None
 1.05A 1dhfB-5wutA:
undetectable		 1dhfB-5wutA:
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.
6aon DIHYDROLIPOYL
DEHYDROGENASE

(Bordetella
pertussis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 241
ALA A 235
PHE A 218
THR A 362
ILE A 366
 None
 1.07A 1dhfB-6aonA:
undetectable		 1dhfB-6aonA:
16.81
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.
6bqw BACTERIAL ACTIN ALFA

(Bacillus
subtilis) 		no annotation 5 ILE A  86
PHE A 122
THR A  14
ILE A   7
LEU A  92
 None
 1.18A 1dhfB-6bqwA:
undetectable		 1dhfB-6bqwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
PHE A  32
THR A  47
LEU A  58
ARG A  61
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
MMV  A 202 (-4.4A)
 0.42A 1dhfB-6cxmA:
20.5		 1dhfB-6cxmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e29 -

(-) 		no annotation 5 ILE D 198
PHE D 241
THR D 191
ILE D 217
LEU D 220
 None
 1.14A 1dhfB-6e29D:
undetectable		 1dhfB-6e29D:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 6 ALA A   7
THR A  46
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 ( 3.3A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.78A 1dhfB-6e4eA:
20.4		 1dhfB-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.
6gbn -

(-) 		no annotation 5 ILE A 298
THR A 277
ILE A 302
ASN A 349
LEU A 202
 None
None
NAD  A 502 (-4.3A)
NAD  A 502 (-3.1A)
None
 1.14A 1dhfB-6gbnA:
undetectable		 1dhfB-6gbnA:
undetectable