SIMILAR PATTERNS OF AMINO ACIDS FOR 1DHI_B_MTXB361

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.
1ckm MRNA CAPPING ENZYME

(Paramecium
bursaria
Chlorella virus
1) 		PF01331
(mRNA_cap_enzyme)
PF03919
(mRNA_cap_C) 		5 ILE A 318
LEU A 324
ILE A 217
LEU A  72
ILE A  64
 None
 0.98A 1dhiB-1ckmA:
undetectable		 1dhiB-1ckmA:
20.25
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		7 ALA A   8
ILE A  51
ARG A  53
LEU A  55
ARG A  58
ILE A 100
THR A 121
 None
 0.74A 1dhiB-1cz3A:
20.1		 1dhiB-1cz3A:
28.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddg SULFITE REDUCTASE
(NADPH) FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1) 		5 ILE A 377
ALA A 375
LEU A 294
ILE A 360
LEU A 321
 None
 0.92A 1dhiB-1ddgA:
undetectable		 1dhiB-1ddgA:
19.73
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) 		7 ILE A   7
ALA A   9
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)
None
None
None
None
HBI  A 198 ( 4.5A)
 0.68A 1dhiB-1dr6A:
20.4		 1dhiB-1dr6A:
33.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eay CHEA

(Escherichia
coli) 		PF09078
(CheY-binding) 		5 ILE C 221
ALA C 210
LEU C 182
LEU C 175
ILE C 216
 None
 1.01A 1dhiB-1eayC:
undetectable		 1dhiB-1eayC:
20.89
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.
1fnn CELL DIVISION
CONTROL PROTEIN 6

(Pyrobaculum
aerophilum) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		5 ILE A  90
ALA A  88
LEU A 136
LEU A 128
ILE A  93
 None
 1.02A 1dhiB-1fnnA:
undetectable		 1dhiB-1fnnA:
18.09
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.
1pww LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		5 ILE A 225
ALA A 144
ILE A  81
LEU A  71
ILE A 151
 None
 1.08A 1dhiB-1pwwA:
undetectable		 1dhiB-1pwwA:
10.60
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.
1sc0 HYPOTHETICAL PROTEIN
HI1161

(Haemophilus
influenzae) 		PF03061
(4HBT) 		5 ILE A  28
ALA A  30
ILE A 118
LEU A  61
ILE A  65
 None
 1.07A 1dhiB-1sc0A:
undetectable		 1dhiB-1sc0A:
19.89
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) 		7 ILE A   7
ALA A   9
ILE A  60
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 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
MTX  A 187 (-4.4A)
 0.51A 1dhiB-1u70A:
20.1		 1dhiB-1u70A:
33.51
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) 		7 ILE A   7
ALA A   9
ILE A  60
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 ( 4.7A)
None
None
None
MXA  A 187 (-4.3A)
 0.51A 1dhiB-1u71A:
20.3		 1dhiB-1u71A:
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.
1v5l ACTININ ALPHA 2
ASSOCIATED LIM
PROTEIN
PDZ AND LIM DOMAIN 3

(Mus musculus) 		PF00595
(PDZ) 		5 ALA A  55
LEU A  80
ILE A  33
LEU A  47
ILE A  84
 None
 1.08A 1dhiB-1v5lA:
undetectable		 1dhiB-1v5lA:
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 ILE A 339
LEU A 222
ILE A 272
LEU A 317
ILE A 343
 None
 1.04A 1dhiB-1z05A:
undetectable		 1dhiB-1z05A:
16.16
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) 		9 ILE A   5
ALA A   7
LEU A  28
LYS A  32
ILE A  50
LEU A  54
ARG A  57
ILE A  96
THR A 115
 None
None
SO4  A3486 ( 4.8A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
None
 0.60A 1dhiB-1zdrA:
24.5		 1dhiB-1zdrA:
39.88
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.
1zgd CHALCONE REDUCTASE

(Medicago sativa) 		PF00248
(Aldo_ket_red) 		5 ILE A  42
ALA A  40
LEU A  64
LEU A  82
ILE A  45
 None
 1.08A 1dhiB-1zgdA:
undetectable		 1dhiB-1zgdA:
20.77
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 ALA A 243
ILE A 238
LEU A 153
ILE A 215
THR A 219
 None
 1.08A 1dhiB-2acvA:
undetectable		 1dhiB-2acvA:
16.59
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.
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
 1.06A 1dhiB-2b3xA:
undetectable		 1dhiB-2b3xA:
11.41
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
ILE A 121
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.66A 1dhiB-2blbA:
19.8		 1dhiB-2blbA:
23.77
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ALA A  15
LEU A 128
ARG A 131
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.40A 1dhiB-2blbA:
19.8		 1dhiB-2blbA:
23.77
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.
2bzu FIBER PROTEIN 2

(Human
mastadenovirus
F) 		PF00541
(Adeno_knob) 		5 ILE A 267
LYS A 365
ILE A 244
LEU A 284
ILE A 269
 None
 0.96A 1dhiB-2bzuA:
undetectable		 1dhiB-2bzuA:
17.46
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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		5 ILE A 749
LEU A 781
ILE A 802
LEU A 835
ILE A 746
 None
 0.99A 1dhiB-2ec5A:
2.2		 1dhiB-2ec5A:
11.85
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.
2eeg PDZ AND LIM DOMAIN
PROTEIN 4

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A  48
LEU A  83
ILE A  56
LEU A  24
ILE A  36
 None
 1.03A 1dhiB-2eegA:
undetectable		 1dhiB-2eegA:
21.85
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 LEU A  93
ILE A  87
ARG A 112
LEU A 111
ILE A  77
 None
 0.91A 1dhiB-2f3oA:
undetectable		 1dhiB-2f3oA:
12.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f4i HYPOTHETICAL PROTEIN
TM0957

(Thermotoga
maritima) 		PF10054
(DUF2291) 		5 ALA A 137
ILE A 204
LEU A 123
ILE A  96
THR A 138
 None
MLY  A 201 ( 4.6A)
None
None
None
 1.02A 1dhiB-2f4iA:
undetectable		 1dhiB-2f4iA:
19.29
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.
2fbm Y CHROMOSOME
CHROMODOMAIN PROTEIN
1, TELOMERIC ISOFORM
B

(Homo sapiens) 		PF00378
(ECH_1) 		5 ILE A 286
ALA A 336
ILE A 383
LEU A 321
ILE A 297
 None
 1.04A 1dhiB-2fbmA:
undetectable		 1dhiB-2fbmA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fw2 TESTIS-SPECIFIC
CHROMODOMAIN PROTEIN
Y 2

(Homo sapiens) 		PF00378
(ECH_1) 		5 ILE A   6
ALA A  56
ILE A 103
LEU A  41
ILE A  17
 None
 1.06A 1dhiB-2fw2A:
undetectable		 1dhiB-2fw2A:
19.08
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.
2g3b PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N)
PF13977
(TetR_C_6) 		5 ILE A  21
ALA A 106
LEU A 118
ILE A  58
ILE A  16
 None
 0.98A 1dhiB-2g3bA:
undetectable		 1dhiB-2g3bA:
24.19
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.
2gtr CHROMODOMAIN Y-LIKE
PROTEIN

(Homo sapiens) 		PF00378
(ECH_1) 		5 ILE A   7
ILE A 104
LEU A  42
ILE A  18
THR A  22
 None
 1.02A 1dhiB-2gtrA:
undetectable		 1dhiB-2gtrA:
16.29
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ILE A  84
LEU A  91
ARG A  94
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
 0.65A 1dhiB-2h2qA:
18.9		 1dhiB-2h2qA:
18.63
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.
2ijx DNA POLYMERASE
SLIDING CLAMP A

(Sulfolobus
solfataricus) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		5 ILE A  15
ALA A  25
LEU A  21
LEU A 207
ILE A  14
 None
 1.05A 1dhiB-2ijxA:
undetectable		 1dhiB-2ijxA:
22.86
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.
2lp4 CHEMOTAXIS PROTEIN
CHEA

(Escherichia
coli) 		PF01627
(Hpt)
PF09078
(CheY-binding) 		5 ILE A 221
ALA A 210
LEU A 182
LEU A 175
ILE A 216
 None
 1.01A 1dhiB-2lp4A:
undetectable		 1dhiB-2lp4A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  33
ILE A  62
LEU A  67
ARG A  70
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
MTX  A 605 ( 4.2A)
 0.66A 1dhiB-2oipA:
20.5		 1dhiB-2oipA:
16.46
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) 		9 ALA A   8
LEU A  29
LYS A  33
ILE A  51
ARG A  53
LEU A  55
ARG A  58
TYR A 102
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
MTX  A 200 ( 4.4A)
 0.61A 1dhiB-2qk8A:
24.6		 1dhiB-2qk8A:
40.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rfo NUCLEOPORIN NIC96

(Saccharomyces
cerevisiae) 		PF04097
(Nic96) 		5 ILE A 723
ILE A 767
LEU A 716
ILE A 720
THR A 778
 None
 1.01A 1dhiB-2rfoA:
undetectable		 1dhiB-2rfoA:
13.23
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.
2rjq ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.92A 1dhiB-2rjqA:
undetectable		 1dhiB-2rjqA:
16.15
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
LEU A  32
LEU A  61
ARG A  64
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.55A 1dhiB-2w3wA:
23.7		 1dhiB-2w3wA:
33.92
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
LEU A  28
ILE A  50
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-4.4A)
None
None
None
TOP  A1160 ( 4.5A)
 0.42A 1dhiB-2w9sA:
24.5		 1dhiB-2w9sA:
37.89
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
LEU A  28
LYS A  32
LEU A  54
ARG A  57
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
None
None
None
None
TOP  A1160 ( 4.5A)
 0.56A 1dhiB-2w9sA:
24.5		 1dhiB-2w9sA:
37.89
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.
2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ILE A 154
LEU A 160
LYS A 159
ILE A 270
THR A 307
 None
 1.03A 1dhiB-2xf8A:
undetectable		 1dhiB-2xf8A:
20.41
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.
2xwb COMPLEMENT FACTOR B

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin)
PF00092
(VWA) 		5 ALA F 307
ILE F 217
LEU F 213
ILE F 246
THR F 311
 None
 0.98A 1dhiB-2xwbF:
undetectable		 1dhiB-2xwbF:
11.76
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.
2yl2 ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ILE A 513
ALA A 490
LEU A 494
ILE A 399
ILE A 408
 None
 1.04A 1dhiB-2yl2A:
undetectable		 1dhiB-2yl2A:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a1w IRON(II) TRANSPORT
PROTEIN B

(Thermotoga
maritima) 		PF02421
(FeoB_N) 		5 ILE A  65
LEU A  21
ILE A 125
ILE A 172
THR A  37
 None
 1.05A 1dhiB-3a1wA:
2.0		 1dhiB-3a1wA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a1z HEMOLYMPH JUVENILE
HORMONE BINDING
PROTEIN

(Bombyx mori) 		PF06585
(JHBP) 		5 ILE A  60
ALA A  52
LEU A 185
LEU A 169
ILE A 103
 MPD  A 232 ( 4.4A)
None
None
None
None
 1.08A 1dhiB-3a1zA:
undetectable		 1dhiB-3a1zA:
22.75
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.
3ako VENUS

(Plant
transformation
vector
pSITEII-4C1) 		PF01353
(GFP) 		6 ALA A 110
LEU A  64
ILE A  14
LEU A  42
TYR A  92
THR A 108
 None
CR2  A  66 ( 4.4A)
None
None
None
None
 1.40A 1dhiB-3akoA:
undetectable		 1dhiB-3akoA:
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.
3awk CHALCONE
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Huperzia
serrata) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 121
ALA A 119
LEU A 154
ILE A 134
ILE A 124
 None
 1.07A 1dhiB-3awkA:
undetectable		 1dhiB-3awkA:
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.
3b5q PUTATIVE SULFATASE
YIDJ

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 ALA A  57
LEU A 334
ILE A 310
TYR A  34
THR A 328
 None
None
None
None
EDO  A 503 (-4.0A)
 1.07A 1dhiB-3b5qA:
undetectable		 1dhiB-3b5qA:
17.22
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.
3b8z PROTEIN ADAMTS-5

(Homo sapiens) 		PF01421
(Reprolysin) 		5 ALA A 298
LEU A 271
ILE A 387
LEU A 472
ILE A 311
 None
 0.86A 1dhiB-3b8zA:
undetectable		 1dhiB-3b8zA:
21.82
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.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 276
ILE A 286
LEU A 295
ILE A 279
THR A 241
 None
 1.01A 1dhiB-3dfhA:
undetectable		 1dhiB-3dfhA:
18.88
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
LEU A  27
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.68A 1dhiB-3dfrA:
23.2		 1dhiB-3dfrA:
28.66
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
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 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.61A 1dhiB-3dg8A:
20.0		 1dhiB-3dg8A:
23.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA X   7
LEU X  28
LYS X  32
ILE X  50
LEU X  54
ARG X  57
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
None
None
None
N22  X 219 (-4.4A)
 0.69A 1dhiB-3i8aX:
24.7		 1dhiB-3i8aX:
36.88
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) 		11 ILE A   6
ALA A   8
LEU A  29
LYS A  33
ILE A  51
ARG A  53
LEU A  55
ARG A  58
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
MTX  A 164 (-3.2A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.55A 1dhiB-3ia4A:
27.1		 1dhiB-3ia4A:
55.83
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.
3iwt 178AA LONG
HYPOTHETICAL
MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Sulfurisphaera
tokodaii) 		PF00994
(MoCF_biosynth) 		5 ILE A  21
LEU A  70
ILE A 142
LEU A  77
ILE A  85
 None
 1.05A 1dhiB-3iwtA:
undetectable		 1dhiB-3iwtA:
23.67
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
LEU A  31
LYS A  35
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.67A 1dhiB-3ix9A:
23.9		 1dhiB-3ix9A:
35.26
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
ILE A  73
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 0.71A 1dhiB-3kjrA:
20.5		 1dhiB-3kjrA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
LEU A  80
ARG A  83
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
None
None
None
 0.44A 1dhiB-3kjrA:
20.5		 1dhiB-3kjrA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lor THIOL-DISULFIDE
ISOMERASE AND
THIOREDOXINS

(Corynebacterium
glutamicum) 		PF00578
(AhpC-TSA) 		5 ILE A  60
LEU A 153
ILE A 124
LEU A 146
ILE A  56
 None
 0.84A 1dhiB-3lorA:
undetectable		 1dhiB-3lorA:
20.12
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.
3n7z ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ILE A 343
ALA A 345
LEU A 307
LEU A 291
ILE A 284
 None
 1.03A 1dhiB-3n7zA:
undetectable		 1dhiB-3n7zA:
17.22
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.
3nyi FAT ACID-BINDING
PROTEIN

(Eubacterium
ventriosum) 		PF02645
(DegV) 		5 ILE A 287
ALA A 129
ILE A 119
LEU A 152
THR A 265
 None
 1.02A 1dhiB-3nyiA:
undetectable		 1dhiB-3nyiA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		5 ILE A 239
ALA A 237
LEU A 250
LYS A 221
ILE A 204
 None
None
None
GKR  A 472 (-3.0A)
None
 1.02A 1dhiB-3p0wA:
undetectable		 1dhiB-3p0wA:
16.38
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
LEU A  97
ARG A 100
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
None
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.42A 1dhiB-3rg9A:
19.0		 1dhiB-3rg9A:
27.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rq1 AMINOTRANSFERASE
CLASS I AND II

(Veillonella
parvula) 		PF00155
(Aminotran_1_2) 		6 ILE A 360
ALA A 365
ILE A 377
LEU A 401
ILE A 388
THR A 362
 None
 1.42A 1dhiB-3rq1A:
2.5		 1dhiB-3rq1A:
16.87
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 ILE A  40
ALA A  59
LEU A 128
LEU A  34
ILE A  72
 None
 1.03A 1dhiB-3sutA:
undetectable		 1dhiB-3sutA:
15.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ILE A   6
ALA A   8
LEU A  29
LYS A  33
ILE A  51
LEU A  55
ARG A  58
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.35A 1dhiB-3tq9A:
24.4		 1dhiB-3tq9A:
43.37
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.
3u3g RIBONUCLEASE H

(uncultured
organism) 		no annotation 5 ILE D  25
LEU D  57
LEU D  67
ILE D   4
THR D   8
 None
 0.70A 1dhiB-3u3gD:
undetectable		 1dhiB-3u3gD:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.47A 1dhiB-3um6A:
20.0		 1dhiB-3um6A:
13.23
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A 112
LEU A 119
ARG A 122
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.4A)
None
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.80A 1dhiB-3um6A:
20.0		 1dhiB-3um6A:
13.23
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
LYS A  33
ILE A  57
LEU A  64
ARG A  67
ILE A 111
TYR A 117
THR A 133
 None
 0.83A 1dhiB-3vcoA:
18.9		 1dhiB-3vcoA:
28.86
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.
3wlx LOW SPECIFICITY
L-THREONINE ALDOLASE

(Escherichia
coli) 		no annotation 5 ILE B 170
LEU B 249
LEU B 242
ILE B 193
THR B 138
 None
 0.99A 1dhiB-3wlxB:
undetectable		 1dhiB-3wlxB:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bru ATP-DEPENDENT RNA
HELICASE DHH1

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ILE A 356
ALA A 286
ILE A 413
ILE A 384
THR A 336
 None
 0.95A 1dhiB-4bruA:
undetectable		 1dhiB-4bruA:
18.51
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.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 ALA A 204
LEU A 245
ILE A 263
LEU A 314
ILE A 219
 None
 0.89A 1dhiB-4c2fA:
undetectable		 1dhiB-4c2fA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 ILE A 313
ALA A 311
LEU A 304
LEU A 281
ILE A 316
 None
 0.96A 1dhiB-4cnkA:
undetectable		 1dhiB-4cnkA:
15.82
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.
4cuk D-LACTATE
DEHYDROGENASE

(Salmonella
enterica) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 147
LEU A 194
LEU A 215
ILE A 229
THR A 146
 None
 1.08A 1dhiB-4cukA:
undetectable		 1dhiB-4cukA:
18.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ILE X  10
ALA X  12
ILE X  65
LEU X  72
ARG X  75
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.57A 1dhiB-4g8zX:
19.6		 1dhiB-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
LYS A  37
ILE A  62
LEU A  69
ARG A  72
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
None
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.91A 1dhiB-4h96A:
17.6		 1dhiB-4h96A:
32.31
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
ILE A  62
LEU A  69
ARG A  72
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-4.2A)
None
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.52A 1dhiB-4h98A:
18.0		 1dhiB-4h98A:
27.23
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 237
ALA A  88
ILE A 146
ILE A 236
THR A   8
 None
 0.98A 1dhiB-4ls5A:
undetectable		 1dhiB-4ls5A:
16.29
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.
4ls9 DHH FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 145
LEU A 105
LEU A  59
ILE A 133
THR A 144
 None
 0.97A 1dhiB-4ls9A:
undetectable		 1dhiB-4ls9A:
20.12
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.
4lub PUTATIVE PREPHENATE
DEHYDRATASE

(Streptococcus
mutans) 		PF00800
(PDT) 		5 ILE A 270
LEU A 261
ILE A 223
ARG A 221
ILE A 197
 None
 0.94A 1dhiB-4lubA:
undetectable		 1dhiB-4lubA:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
LEU A  57
ARG A  60
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
None
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.36A 1dhiB-4m2xA:
22.0		 1dhiB-4m2xA:
34.91
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
LEU A  28
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)
 0.69A 1dhiB-4m7vA:
23.2		 1dhiB-4m7vA:
37.14
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
LYS A  32
ILE A  50
ARG A  57
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.9A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.43A 1dhiB-4p68A:
28.8		 1dhiB-4p68A:
96.86
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.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		5 ILE A1171
LEU A1259
ILE A1208
LEU A1252
ILE A1204
 None
 1.07A 1dhiB-4r04A:
undetectable		 1dhiB-4r04A:
6.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r7r PUTATIVE LIPOPROTEIN

(Clostridium
perfringens) 		PF16224
(DUF4883) 		5 ILE A  22
LEU A  47
ILE A  88
LEU A 113
ILE A  69
 None
GOL  A 201 (-3.9A)
None
None
None
 0.94A 1dhiB-4r7rA:
undetectable		 1dhiB-4r7rA:
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.
4wj0 CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Pyrococcus
horikoshii) 		PF01867
(Cas_Cas1) 		5 ILE A  61
ILE A  48
LEU A  14
ILE A  56
THR A 199
 None
 1.04A 1dhiB-4wj0A:
undetectable		 1dhiB-4wj0A:
22.12
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.
5cdh MAJOR ACID
PHOSPHATASE

(Legionella
pneumophila) 		PF00328
(His_Phos_2) 		5 ILE A 284
LEU A 291
ILE A 258
LEU A 254
ILE A  31
 None
 1.08A 1dhiB-5cdhA:
undetectable		 1dhiB-5cdhA:
17.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.46A 1dhiB-5dxvA:
17.2		 1dhiB-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
LEU A  45
ILE A  67
LEU A  71
ARG A  74
ILE A 111
TYR A 117
THR A 130
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
None
None
CME  A 140 ( 4.5A)
 0.64A 1dhiB-5dxvA:
17.2		 1dhiB-5dxvA:
69.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
ILE A  51
LEU A  55
TYR A 101
THR A 114
 None
 0.54A 1dhiB-5fdaA:
19.9		 1dhiB-5fdaA:
79.38
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 ILE A 359
LEU A 413
ILE A 406
LEU A 401
ILE A 357
 None
 1.08A 1dhiB-5hdhA:
undetectable		 1dhiB-5hdhA:
10.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzl LMO2445 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 ALA B  80
LEU B  72
ILE B  85
LEU B  93
ILE B 106
 None
 1.05A 1dhiB-5hzlB:
undetectable		 1dhiB-5hzlB:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jju UNCHARACTERIZED
PROTEIN RV2837C

(Mycobacterium
tuberculosis) 		PF01368
(DHH)
PF02272
(DHHA1) 		5 ALA A 141
LEU A 101
LEU A  55
ILE A 129
THR A 140
 None
 0.92A 1dhiB-5jjuA:
undetectable		 1dhiB-5jjuA:
20.41
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.
5nof ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 ILE A 171
ALA A  56
LEU A  21
ILE A  33
LEU A  37
 None
 1.06A 1dhiB-5nofA:
undetectable		 1dhiB-5nofA:
22.40
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
LEU A  94
ARG A  97
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
None
None
None
73X  A 704 (-4.2A)
 0.30A 1dhiB-5t0lA:
20.6		 1dhiB-5t0lA:
13.60
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.
5udf LIPOPROTEIN-RELEASIN
G SYSTEM
TRANSMEMBRANE
PROTEIN LOLE

(Acinetobacter
baumannii) 		PF12704
(MacB_PCD) 		5 ALA A 225
LEU A 184
ILE A 127
LEU A 118
ILE A 162
 None
 1.03A 1dhiB-5udfA:
undetectable		 1dhiB-5udfA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
LEU A  29
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.71A 1dhiB-6cxmA:
20.8		 1dhiB-6cxmA:
29.29
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ALA A   8
LYS A  33
LEU A  58
ARG A  61
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.51A 1dhiB-6cxmA:
20.8		 1dhiB-6cxmA:
29.29
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.
6dcq ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 ILE A 215
ALA A  55
LEU A  52
LEU A 483
ILE A 251
 None
 0.98A 1dhiB-6dcqA:
undetectable		 1dhiB-6dcqA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.55A 1dhiB-6e4eA:
24.7		 1dhiB-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.
6emv TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 ILE A 103
ALA A 140
LEU A 130
ILE A 254
ILE A 201
 None
None
None
None
SAH  A 301 ( 4.6A)
 1.04A 1dhiB-6emvA:
2.0		 1dhiB-6emvA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ft1 FLAVODOXIN

(Bacillus cereus) 		no annotation 5 ILE A  38
ALA A  57
ILE A  53
LEU A  47
ILE A   7
 None
 0.87A 1dhiB-6ft1A:
2.7		 1dhiB-6ft1A:
20.25