SIMILAR PATTERNS OF AMINO ACIDS FOR 3IA4_C_MTXC164

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ALA A   8
PHE A  31
ILE A  51
LEU A  55
ARG A  58
 None
 0.53A 3ia4C-1cz3A:
20.3		 3ia4C-1cz3A:
31.35
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
GLU A  30
PHE A  34
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
HBI  A 198 (-4.1A)
NAP  A 191 ( 4.1A)
None
None
None
None
 0.85A 3ia4C-1dr6A:
21.1		 3ia4C-1dr6A:
32.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iy9 SPERMIDINE SYNTHASE

(Bacillus
subtilis) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 MET A 154
LEU A  71
ILE A  91
LEU A  95
ARG A 131
 None
 1.28A 3ia4C-1iy9A:
undetectable		 3ia4C-1iy9A:
20.83
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 LEU A  37
PHE A  40
LYS A  41
SER A  58
LEU A  63
ARG A  66
 None
None
None
NDP  A 194 ( 3.9A)
None
None
 1.09A 3ia4C-1juvA:
18.3		 3ia4C-1juvA:
27.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ljy MGP-40

(Capra hircus) 		PF00704
(Glyco_hydro_18) 		5 ALA A 159
MET A 223
SER A 174
ILE A 173
LEU A 129
 None
 1.03A 3ia4C-1ljyA:
undetectable		 3ia4C-1ljyA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lw7 TRANSCRIPTIONAL
REGULATOR NADR

(Haemophilus
influenzae) 		PF01467
(CTP_transf_like)
PF13521
(AAA_28) 		5 GLU A  87
PHE A 165
LYS A 163
ILE A  91
LEU A 159
 None
 1.31A 3ia4C-1lw7A:
undetectable		 3ia4C-1lw7A:
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.
1r03 MITOCHONDRIAL
FERRITIN

(Homo sapiens) 		PF00210
(Ferritin) 		5 LEU A 133
PHE A 132
SER A  16
ILE A  20
LEU A  69
 None
 1.13A 3ia4C-1r03A:
undetectable		 3ia4C-1r03A:
22.33
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.
1sq4 GLYOXYLATE-INDUCED
PROTEIN

(Pseudomonas
aeruginosa) 		PF07883
(Cupin_2) 		5 ALA A 118
GLN A  70
PHE A  95
ILE A 195
LEU A 219
 None
 1.19A 3ia4C-1sq4A:
undetectable		 3ia4C-1sq4A:
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.
1sr4 CYTOLETHAL
DISTENDING TOXIN
PROTEIN B
CYTOLETHAL
DISTENDING TOXIN
PROTEIN C
CYTOLETHAL
DISTENDING TOXIN
SUBUNIT A

([Haemophilus]
ducreyi) 		PF03372
(Exo_endo_phos)
PF03498
(CDtoxinA) 		5 ALA A 219
LEU C  45
SER B 268
ILE C 166
LEU C  42
 None
 1.31A 3ia4C-1sr4A:
undetectable		 3ia4C-1sr4A:
21.23
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) 		8 ALA A   9
GLU A  30
PHE A  34
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
MTX  A 187 (-4.3A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.76A 3ia4C-1u70A:
20.8		 3ia4C-1u70A:
31.91
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) 		8 ALA A   9
GLU A  30
PHE A  34
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
None
None
 0.75A 3ia4C-1u71A:
20.9		 3ia4C-1u71A:
30.65
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.
1v0b CELL DIVISION
CONTROL PROTEIN 2
HOMOLOG

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		5 ALA A 278
MET A 264
ILE A 190
LEU A 131
TYR A 283
 None
 1.20A 3ia4C-1v0bA:
undetectable		 3ia4C-1v0bA:
21.05
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) 		5 ALA A   7
LEU A  28
PHE A  31
LEU A  54
ARG A  57
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.57A 3ia4C-1zdrA:
25.0		 3ia4C-1zdrA:
46.99
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) 		5 ALA A   7
LEU A  28
PHE A  31
LYS A  32
LEU A  54
 None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 (-4.2A)
 0.79A 3ia4C-1zdrA:
25.0		 3ia4C-1zdrA:
46.99
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) 		5 ALA A   7
PHE A  31
ILE A  50
LEU A  54
ARG A  57
 None
SO4  A3486 (-4.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.53A 3ia4C-1zdrA:
25.0		 3ia4C-1zdrA:
46.99
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) 		5 ALA A   7
PHE A  31
LYS A  32
ILE A  50
LEU A  54
 None
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
 0.77A 3ia4C-1zdrA:
25.0		 3ia4C-1zdrA:
46.99
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
PHE A  57
SER A 117
LEU A 128
ARG A 131
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
 1.03A 3ia4C-2blbA:
20.3		 3ia4C-2blbA:
24.29
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
PHE A  57
SER A 120
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.55A 3ia4C-2blbA:
20.3		 3ia4C-2blbA:
24.29
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
SER A 120
ILE A 121
LEU A 128
TYR A 179
 CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
None
 1.00A 3ia4C-2blbA:
20.3		 3ia4C-2blbA:
24.29
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
PHE A  52
SER A  83
ILE A  84
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
None
None
 0.89A 3ia4C-2h2qA:
19.6		 3ia4C-2h2qA:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iy8 PROTEIN PM0188

(Pasteurella
multocida) 		PF11477
(PM0188) 		5 ALA A 122
LEU A  91
ILE A 106
LEU A  32
TYR A 171
 None
 1.14A 3ia4C-2iy8A:
undetectable		 3ia4C-2iy8A:
18.59
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  11
LEU A  33
PHE A  36
SER A  61
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.71A 3ia4C-2oipA:
21.3		 3ia4C-2oipA:
15.08
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.
2qfz TBC1 DOMAIN FAMILY
MEMBER 22A

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		5 ALA A 418
LEU A 454
SER A 397
ILE A 399
LEU A 504
 None
 1.30A 3ia4C-2qfzA:
undetectable		 3ia4C-2qfzA:
18.32
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
GLU A  28
LEU A  29
GLN A  30
LYS A  33
ILE A  51
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.69A 3ia4C-2qk8A:
25.9		 3ia4C-2qk8A:
45.06
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.
2qym PHOSPHODIESTERASE 4C

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 315
LEU A 382
PHE A 317
ILE A 370
LEU A 363
 None
 1.28A 3ia4C-2qymA:
undetectable		 3ia4C-2qymA:
14.25
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
PHE A  35
SER A  53
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.86A 3ia4C-2w3wA:
24.5		 3ia4C-2w3wA:
35.50
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) 		7 ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.58A 3ia4C-2w9sA:
25.8		 3ia4C-2w9sA:
41.21
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		5 ALA A  24
GLU A  58
GLN A 202
ILE A  81
LEU A  37
 None
 1.27A 3ia4C-2ynkA:
undetectable		 3ia4C-2ynkA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbk TYPE II DNA
TOPOISOMERASE VI
SUBUNIT A

(Sulfolobus
shibatae) 		PF04406
(TP6A_N) 		5 ALA A 240
PHE A 244
SER A 171
ILE A 169
LEU A 167
 None
 1.21A 3ia4C-2zbkA:
undetectable		 3ia4C-2zbkA:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3v ARACHIN ARAH3
ISOFORM

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		5 GLN A  95
SER A 415
ILE A 416
LEU A  70
TYR A 437
 None
 1.10A 3ia4C-3c3vA:
undetectable		 3ia4C-3c3vA:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		5 ALA A 123
GLN A 117
PHE A 119
ILE A 101
LEU A 106
 None
 1.27A 3ia4C-3d2lA:
2.3		 3ia4C-3d2lA:
21.72
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
LEU A  27
PHE A  30
SER A  48
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 ( 4.0A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.75A 3ia4C-3dfrA:
24.1		 3ia4C-3dfrA:
37.65
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
PHE A  58
SER A 111
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.61A 3ia4C-3dg8A:
20.4		 3ia4C-3dg8A:
24.91
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.91A 3ia4C-3dg8A:
20.4		 3ia4C-3dg8A:
24.91
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.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 359
LEU A 426
PHE A 361
ILE A 414
LEU A 407
 None
 1.32A 3ia4C-3g4gA:
undetectable		 3ia4C-3g4gA:
17.69
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.
3gcd RTX TOXIN RTXA

(Vibrio cholerae) 		PF11713
(Peptidase_C80) 		5 ALA A  47
LEU A 175
SER A 136
ILE A 137
LEU A 142
 AZ0  A 213 (-3.8A)
AZ0  A 213 (-3.4A)
IHP  A 214 (-2.9A)
None
None
 1.19A 3ia4C-3gcdA:
undetectable		 3ia4C-3gcdA:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hv9 PROTEIN FIMX

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		5 LEU A 539
GLN A 577
SER A 595
ILE A 594
LEU A 610
 None
None
GOL  A 903 (-2.5A)
None
None
 1.11A 3ia4C-3hv9A:
undetectable		 3ia4C-3hv9A:
23.62
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) 		6 ALA X   7
LEU X  28
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-4.4A)
N22  X 219 (-4.6A)
None
None
None
 0.59A 3ia4C-3i8aX:
25.6		 3ia4C-3i8aX:
40.12
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) 		6 ALA X   7
LYS X  32
SER X  49
ILE X  50
LEU X  54
TYR X  98
 N22  X 219 ( 3.6A)
None
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
 1.01A 3ia4C-3i8aX:
25.6		 3ia4C-3i8aX:
40.12
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) 		6 ALA X   7
SER X  49
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
None
 0.79A 3ia4C-3i8aX:
25.6		 3ia4C-3i8aX:
40.12
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 ALA A  10
GLU A  30
LEU A  31
PHE A  34
LYS A  35
LEU A  58
ARG A  61
 MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
MTX  A 200 (-4.4A)
MTX  A 200 (-4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.53A 3ia4C-3ix9A:
25.1		 3ia4C-3ix9A:
33.85
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
SER A  72
ILE A  73
LEU A  80
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 ( 4.2A)
None
None
None
 0.85A 3ia4C-3kjrA:
21.0		 3ia4C-3kjrA:
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  16
SER A  72
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 ( 4.2A)
None
None
None
 0.58A 3ia4C-3kjrA:
21.0		 3ia4C-3kjrA:
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.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		5 ALA A  19
LEU B  37
PHE B  42
ILE A  94
LEU B 155
 None
 1.19A 3ia4C-3ml0A:
undetectable		 3ia4C-3ml0A:
19.51
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.
3naw SECRETED EFFECTOR
PROTEIN

(Escherichia
coli) 		PF00805
(Pentapeptide)
PF13979
(SopA_C)
PF13981
(SopA) 		5 LEU A 406
PHE A 410
SER A 363
ILE A 364
LEU A 386
 None
 1.18A 3ia4C-3nawA:
undetectable		 3ia4C-3nawA:
12.93
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.
3niz RHODANESE FAMILY
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		5 ALA A 298
MET A 284
ILE A 209
LEU A 150
TYR A 303
 None
 1.25A 3ia4C-3nizA:
undetectable		 3ia4C-3nizA:
18.59
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.
3oxp PHOSPHOTRANSFERASE
ENZYME II, A
COMPONENT

(Yersinia pestis) 		PF00359
(PTS_EIIA_2) 		5 ALA A  36
LEU A   5
SER A 110
LEU A 118
TYR A  41
 None
 1.25A 3ia4C-3oxpA:
undetectable		 3ia4C-3oxpA:
24.18
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ALA A  34
PHE A  58
SER A  89
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
None
None
None
 0.71A 3ia4C-3rg9A:
19.5		 3ia4C-3rg9A:
29.22
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.
3rhf PUTATIVE
POLYPHOSPHATE KINASE
2 FAMILY PROTEIN

(Paenarthrobacter
aurescens) 		PF03976
(PPK2) 		5 ALA A 237
LEU A 171
GLN A 174
SER A 138
LEU A 119
 None
 1.15A 3ia4C-3rhfA:
undetectable		 3ia4C-3rhfA:
20.48
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.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 ALA A 193
LEU A 260
PHE A 195
ILE A 248
LEU A 241
 ALA  A 193 ( 0.0A)
LEU  A 260 ( 0.6A)
PHE  A 195 ( 1.3A)
ILE  A 248 ( 0.7A)
LEU  A 241 ( 0.6A)
 1.31A 3ia4C-3sl5A:
undetectable		 3ia4C-3sl5A:
16.44
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) 		6 ALA A   7
PHE A  32
SER A  50
ILE A  51
LEU A  55
ARG A  58
 NDP  A1001 ( 4.1A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 1.01A 3ia4C-3tq9A:
25.9		 3ia4C-3tq9A:
43.09
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) 		7 ALA A   8
LEU A  29
PHE A  32
SER A  50
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.31A 3ia4C-3tq9A:
25.9		 3ia4C-3tq9A:
43.09
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 PHE A  58
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
None
None
 0.69A 3ia4C-3um6A:
20.3		 3ia4C-3um6A:
13.31
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ALA A   8
PHE A  32
LYS A  33
SER A  56
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
 0.80A 3ia4C-3vcoA:
18.4		 3ia4C-3vcoA:
27.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		5 ALA A 569
GLU A 570
SER A 729
ILE A 703
LEU A 675
 None
 1.23A 3ia4C-3vtaA:
undetectable		 3ia4C-3vtaA:
14.12
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.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N) 		5 ALA A 241
GLU A 207
LEU A 281
ILE A 291
LEU A 323
 None
 1.30A 3ia4C-4b8bA:
undetectable		 3ia4C-4b8bA:
14.51
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 ALA B1750
LEU B1674
SER B1879
ILE B1876
LEU B1770
 None
 1.12A 3ia4C-4bedB:
undetectable		 3ia4C-4bedB:
7.49
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.
4epp POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Tetrahymena
thermophila) 		PF05028
(PARG_cat) 		5 LEU A  78
GLN A  83
PHE A  86
ILE A 169
LEU A  71
 None
 1.11A 3ia4C-4eppA:
undetectable		 3ia4C-4eppA:
15.04
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.
4f21 CARBOXYLESTERASE/PHO
SPHOLIPASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF02230
(Abhydrolase_2) 		5 ALA A  12
GLU A   7
LEU A   5
ILE A  17
LEU A  96
 None
 1.25A 3ia4C-4f21A:
undetectable		 3ia4C-4f21A:
22.46
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ALA X  12
GLU X  32
PHE X  36
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.68A 3ia4C-4g8zX:
20.3		 3ia4C-4g8zX:
29.95
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) 		7 ALA A  11
MET A  25
GLU A  32
PHE A  36
LYS A  37
SER A  61
TYR A 118
 14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-2.8A)
14Q  A 202 (-4.0A)
None
14Q  A 202 (-3.9A)
None
 1.15A 3ia4C-4h96A:
18.1		 3ia4C-4h96A:
35.60
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 ALA A  11
MET A  25
GLU A  32
PHE A  36
SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-2.8A)
14Q  A 202 (-4.0A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
None
 0.88A 3ia4C-4h96A:
18.1		 3ia4C-4h96A:
35.60
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) 		8 ALA A  11
GLU A  32
PHE A  36
SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
None
None
 0.64A 3ia4C-4h98A:
19.3		 3ia4C-4h98A:
32.65
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) 		6 ALA A   7
PHE A  31
SER A  49
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 ( 3.5A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
None
None
None
 0.61A 3ia4C-4m2xA:
22.9		 3ia4C-4m2xA:
35.50
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.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		5 ALA A 109
SER A  70
ILE A  73
LEU A  85
TYR A 125
 None
 1.29A 3ia4C-4m3nA:
undetectable		 3ia4C-4m3nA:
21.92
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 ALA A   7
LEU A  28
PHE A  31
LEU A  55
ARG A  58
 RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.53A 3ia4C-4m7vA:
24.7		 3ia4C-4m7vA:
39.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mjz OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Toxoplasma
gondii) 		PF00215
(OMPdecase) 		5 ALA A 256
LEU A 274
SER A  38
ILE A  33
ARG A 222
 None
 0.97A 3ia4C-4mjzA:
undetectable		 3ia4C-4mjzA:
15.74
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.
4nmw PIMELYL-[ACYL-CARRIE
R PROTEIN] METHYL
ESTER ESTERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		5 ALA A 145
GLN A 131
PHE A 143
ILE A 120
LEU A 125
 None
 1.22A 3ia4C-4nmwA:
undetectable		 3ia4C-4nmwA:
21.46
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 ALA A   7
MET A  20
PHE A  31
LYS A  32
SER A  49
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-4.1A)
MTX  A 201 ( 3.9A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.66A 3ia4C-4p68A:
28.3		 3ia4C-4p68A:
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.
4ud8 FAD-BINDING AND BBE
DOMAIN-CONTAINING
PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLU A 279
LEU A 275
ILE A 309
LEU A 267
TYR A 463
 None
 1.12A 3ia4C-4ud8A:
undetectable		 3ia4C-4ud8A:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLU A 323
SER A 256
ILE A 356
LEU A 184
ARG A 187
 None
 1.17A 3ia4C-5bz4A:
undetectable		 3ia4C-5bz4A:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c2u NANOBODY
NUP54

(Camelus
dromedarius;
Xenopus laevis) 		PF07686
(V-set)
no annotation 		5 GLN A 233
PHE A 223
ILE A 270
LEU A 241
TYR B 104
 None
 1.19A 3ia4C-5c2uA:
undetectable		 3ia4C-5c2uA:
24.31
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.
5cad SM80.1 VICILIN

(Solanum
melongena) 		PF00190
(Cupin_1) 		5 LEU A 101
PHE A  73
SER A 107
ILE A 109
LEU A 111
 None
PCA  A 403 ( 4.8A)
None
None
None
 1.15A 3ia4C-5cadA:
undetectable		 3ia4C-5cadA:
17.22
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) 		6 ALA A   6
PHE A  48
SER A  66
ILE A  67
LEU A  71
ARG A  74
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
 1.17A 3ia4C-5dxvA:
16.3		 3ia4C-5dxvA:
42.31
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) 		7 ALA A   7
PHE A  48
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
 0.67A 3ia4C-5dxvA:
16.3		 3ia4C-5dxvA:
42.31
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) 		6 LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 0.88A 3ia4C-5dxvA:
16.3		 3ia4C-5dxvA:
42.31
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
PHE A  31
ARG A  56
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
None
None
 0.77A 3ia4C-5ecxA:
24.5		 3ia4C-5ecxA:
29.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
GLU A  27
PHE A  31
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-2.5A)
5N1  A 202 (-4.1A)
5N1  A 202 ( 4.7A)
None
 0.54A 3ia4C-5ecxA:
24.5		 3ia4C-5ecxA:
29.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
PHE A  31
SER A  49
LEU A  53
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-4.1A)
5N1  A 202 (-3.6A)
5N1  A 202 ( 4.7A)
None
 0.90A 3ia4C-5ecxA:
24.5		 3ia4C-5ecxA:
29.94
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) 		5 ALA A   8
SER A  50
ILE A  51
LEU A  55
TYR A 101
 None
 0.86A 3ia4C-5fdaA:
18.9		 3ia4C-5fdaA:
57.06
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.
5fyg CYTOCHROME P450

(Marinobacter
hydrocarbonoclasticus) 		PF00067
(p450) 		5 ALA A 253
MET A 232
PHE A 260
ILE A 309
LEU A 215
 None
 1.13A 3ia4C-5fygA:
undetectable		 3ia4C-5fygA:
15.63
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.
5hxg FLAGELLAR
TRANSCRIPTIONAL
REGULATOR FLHD
UNCHARACTERIZED
PROTEIN STM1697

(Salmonella
enterica) 		PF00563
(EAL)
PF05247
(FlhD) 		5 ALA B  61
LEU B  22
GLN B  25
ILE A 177
LEU A 136
 None
 1.25A 3ia4C-5hxgB:
undetectable		 3ia4C-5hxgB:
19.77
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 ALA A1426
GLU A1478
GLN A1477
ILE A1406
LEU A1469
 None
 1.18A 3ia4C-5jbeA:
undetectable		 3ia4C-5jbeA:
10.75
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.
5l3x NEGATIVE ELONGATION
FACTOR C/D

(Homo sapiens) 		PF04858
(TH1) 		5 ALA B 361
LEU B 341
PHE B 337
ILE B 310
LEU B 305
 None
 1.26A 3ia4C-5l3xB:
undetectable		 3ia4C-5l3xB:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		5 ALA A  64
PHE A 102
SER A  81
ILE A  80
LEU A 121
 None
 1.27A 3ia4C-5m60A:
undetectable		 3ia4C-5m60A:
11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mlc 50S RIBOSOMAL
PROTEIN L23,
CHLOROPLASTIC
50S RIBOSOMAL
PROTEIN L29,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00276
(Ribosomal_L23)
PF00831
(Ribosomal_L29) 		5 ALA V 174
LEU V 115
GLN V 113
ILE V 191
LEU Z  92
 None
 1.25A 3ia4C-5mlcV:
undetectable		 3ia4C-5mlcV:
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.
5ns8 -

(-) 		no annotation 5 ALA A  79
GLU A  20
PHE A  76
ILE A 103
TYR A 144
 None
 1.33A 3ia4C-5ns8A:
undetectable		 3ia4C-5ns8A:
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.
5nxy OSMOTICALLY
ACTIVATED
L-CARNITINE/CHOLINE
ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN OPUCC

(Bacillus
subtilis) 		no annotation 5 ALA A  60
GLN A  25
ILE A 241
LEU A 249
TYR A  63
 None
None
None
None
1Y8  A 301 ( 3.6A)
 1.23A 3ia4C-5nxyA:
undetectable		 3ia4C-5nxyA:
16.67
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
PHE A  35
SER A  86
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
None
None
None
 0.60A 3ia4C-5t0lA:
20.7		 3ia4C-5t0lA:
15.96
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.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 5 LEU A 101
PHE A  73
SER A 107
ILE A 109
LEU A 111
 None
 1.16A 3ia4C-5vf5A:
undetectable		 3ia4C-5vf5A:
14.81
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 5 ALA A 193
LEU A 260
PHE A 195
ILE A 248
LEU A 241
 None
 1.26A 3ia4C-5wh6A:
undetectable		 3ia4C-5wh6A:
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.
5wuq ECF RNA POLYMERASE
SIGMA FACTOR SIGW

(Bacillus
subtilis) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2) 		5 ALA A  52
LEU A  34
GLN A  33
ILE A 161
LEU A 153
 None
 1.14A 3ia4C-5wuqA:
undetectable		 3ia4C-5wuqA:
24.38
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.
5wuq ECF RNA POLYMERASE
SIGMA FACTOR SIGW

(Bacillus
subtilis) 		PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2) 		5 ALA A  52
LEU A  34
GLN A  33
LYS A  30
ILE A 161
 None
 1.21A 3ia4C-5wuqA:
undetectable		 3ia4C-5wuqA:
24.38
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.
6c2h CYSTATHIONINE
BETA-SYNTHASE

(Saccharomyces
cerevisiae) 		no annotation 5 LEU A 179
GLN A 178
PHE A 185
ILE A 215
LEU A 208
 None
 1.25A 3ia4C-6c2hA:
2.7		 3ia4C-6c2hA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
LEU A  29
PHE A  32
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.89A 3ia4C-6cxmA:
21.6		 3ia4C-6cxmA:
29.08
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA A   8
PHE A  32
LYS A  33
SER A  50
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
None
 0.85A 3ia4C-6cxmA:
21.6		 3ia4C-6cxmA:
29.08
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
PHE A  32
SER A  50
LEU A  58
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
MMV  A 202 (-3.7A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.64A 3ia4C-6cxmA:
21.6		 3ia4C-6cxmA:
29.08
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.
6e4e -

(-) 		no annotation 5 ALA A   7
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.45A 3ia4C-6e4eA:
25.6		 3ia4C-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.
1c9k ADENOSYLCOBINAMIDE
KINASE

(Salmonella
enterica) 		PF02283
(CobU) 		4 ILE A  29
ARG A 124
ILE A  77
THR A  31
 None
None
None
5GP  A 604 (-4.6A)
 1.30A 3ia4C-1c9kA:
2.3		 3ia4C-1c9kA:
21.11
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.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		4 ILE A 197
ARG A 184
ILE A 195
THR A 201
 None
 1.11A 3ia4C-1g7rA:
0.6		 3ia4C-1g7rA:
14.73
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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		4 ILE A 214
ARG A 340
ILE A 326
THR A 209
 None
 1.28A 3ia4C-1kehA:
undetectable		 3ia4C-1kehA:
12.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kqg FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
IRON-SULFUR SUBUNIT

(Escherichia
coli) 		PF09163
(Form-deh_trans)
PF12800
(Fer4_4)
PF13247
(Fer4_11) 		4 ILE B 184
ARG B  81
ILE B  34
THR B 178
 SF4  B 805 (-4.8A)
None
None
None
 1.08A 3ia4C-1kqgB:
undetectable		 3ia4C-1kqgB:
18.33
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.
1mvf IMMUNOGLOBULIN HEAVY
CHAIN VARIABLE
REGION

(Camelus
dromedarius) 		PF07686
(V-set) 		4 ILE A  53
ARG A  19
ILE A  51
THR A  28
 None
 0.99A 3ia4C-1mvfA:
undetectable		 3ia4C-1mvfA:
20.56
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.
1p9p TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Escherichia
coli) 		PF01746
(tRNA_m1G_MT) 		4 ILE A  33
ARG A 114
ILE A   5
THR A  22
 None
 1.09A 3ia4C-1p9pA:
0.9		 3ia4C-1p9pA:
19.46
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.
1q8k EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2
SUBUNIT 1

(Homo sapiens) 		PF00575
(S1)
PF07541
(EIF_2_alpha) 		4 ILE A 224
ARG A 233
ILE A 226
THR A 239
 None
 1.21A 3ia4C-1q8kA:
undetectable		 3ia4C-1q8kA:
18.75
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPG-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00117
(GATase) 		4 ILE B  80
ARG B  61
ILE B  51
THR B  78
 None
 1.27A 3ia4C-1qdlB:
0.9		 3ia4C-1qdlB:
24.04
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.
1rj6 CARBONIC ANHYDRASE
XIV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		4 ILE A 109
ARG A 193
ILE A  33
THR A 114
 None
 0.80A 3ia4C-1rj6A:
undetectable		 3ia4C-1rj6A:
20.93
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.
1szp DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 ILE A 218
ARG A 312
ILE A 277
THR A 220
 None
 1.28A 3ia4C-1szpA:
undetectable		 3ia4C-1szpA:
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 ILE B 358
ARG B 195
ILE B 320
THR B 169
 None
 1.19A 3ia4C-1t3qB:
undetectable		 3ia4C-1t3qB:
10.62
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.
1ver NEW ANTIGEN RECEPTOR
VARIABLE DOMAIN

(Orectolobus
maculatus) 		PF07686
(V-set) 		4 ILE A  51
ARG A  74
ILE A  49
THR A  58
 None
 1.30A 3ia4C-1verA:
undetectable		 3ia4C-1verA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zbd RABPHILIN-3A

(Rattus
norvegicus) 		PF00071
(Ras)
PF02318
(FYVE_2) 		4 ILE B  54
ARG A  93
ILE A  57
THR B  47
 None
 1.13A 3ia4C-1zbdB:
undetectable		 3ia4C-1zbdB:
19.65
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		4 ILE C  45
ARG C 171
ILE C 157
THR C  40
 None
 1.29A 3ia4C-2advC:
undetectable		 3ia4C-2advC:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cfb GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Synechococcus
elongatus) 		PF00202
(Aminotran_3) 		4 ILE A 397
ARG A 326
ILE A 401
THR A 388
 None
 0.98A 3ia4C-2cfbA:
undetectable		 3ia4C-2cfbA:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2coq NEW ANTIGEN RECEPTOR
VARIABLE DOMAIN

(Orectolobus
maculatus) 		PF07686
(V-set) 		4 ILE A  51
ARG A  74
ILE A  49
THR A  58
 None
 1.23A 3ia4C-2coqA:
undetectable		 3ia4C-2coqA:
22.29
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.
2eih ALCOHOL
DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ILE A 263
ARG A 282
ILE A 286
THR A 243
 None
 1.19A 3ia4C-2eihA:
2.3		 3ia4C-2eihA:
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.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 ILE A 238
ARG A 229
ILE A 235
THR A 249
 None
 1.10A 3ia4C-2f3oA:
undetectable		 3ia4C-2f3oA:
11.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fem CYTIDYLATE KINASE

(Escherichia
coli) 		PF02224
(Cytidylate_kin) 		4 ILE A  10
ARG A 221
ILE A   8
THR A  20
 None
 1.14A 3ia4C-2femA:
undetectable		 3ia4C-2femA:
23.11
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.
2nwi HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF01947
(DUF98) 		4 ILE A   4
ARG A 109
ILE A   7
THR A  23
 None
 1.29A 3ia4C-2nwiA:
undetectable		 3ia4C-2nwiA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ILE A 530
ARG A 414
ILE A 389
THR A 536
 None
 1.23A 3ia4C-2q27A:
undetectable		 3ia4C-2q27A:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qm3 PREDICTED
METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01861
(DUF43) 		4 ILE A 163
ARG A 182
ILE A 187
THR A 134
 None
 1.28A 3ia4C-2qm3A:
2.0		 3ia4C-2qm3A:
16.45
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.
2qz9 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 ILE A 151
ARG A 300
ILE A 145
THR A 222
 None
 1.06A 3ia4C-2qz9A:
undetectable		 3ia4C-2qz9A:
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.
2uuu ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE

(Dictyostelium
discoideum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		4 ILE A 168
ARG A 127
ILE A 180
THR A 303
 None
None
FAD  A1587 ( 4.9A)
None
 1.18A 3ia4C-2uuuA:
undetectable		 3ia4C-2uuuA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		4 ILE B  99
ARG A 135
ILE A 112
THR B  94
 None
 1.25A 3ia4C-2xdqB:
undetectable		 3ia4C-2xdqB:
15.78
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.
2xyq PUTATIVE 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		4 ILE A 128
ARG A 283
ILE A 127
THR A  82
 None
 1.15A 3ia4C-2xyqA:
undetectable		 3ia4C-2xyqA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y9x LECTIN-LIKE FOLD
PROTEIN
POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase)
no annotation 		4 ILE A 328
ARG E  52
ILE E  55
THR A 324
 None
 1.29A 3ia4C-2y9xA:
undetectable		 3ia4C-2y9xA:
18.59
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.
2ywy NEW ANTIGEN RECEPTOR
VARIABLE DOMAIN

(Orectolobus
maculatus) 		PF07686
(V-set) 		4 ILE A  51
ARG A  74
ILE A  49
THR A  58
 ILE  A  51 ( 0.6A)
ARG  A  74 ( 0.6A)
ILE  A  49 ( 0.7A)
THR  A  58 ( 0.8A)
 1.18A 3ia4C-2ywyA:
undetectable		 3ia4C-2ywyA:
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.
2yyy GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		4 ILE A 269
ARG A 151
ILE A 268
THR A 223
 None
 1.25A 3ia4C-2yyyA:
undetectable		 3ia4C-2yyyA:
19.41
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.
2zqp PREPROTEIN
TRANSLOCASE SECY
SUBUNIT

(Thermus
thermophilus) 		PF00344
(SecY) 		4 ILE Y  58
ARG Y  69
ILE Y  59
THR Y 307
 None
 0.89A 3ia4C-2zqpY:
undetectable		 3ia4C-2zqpY:
16.97
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.
3dgz THIOREDOXIN
REDUCTASE 2

(Mus musculus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A 153
ARG A 135
ILE A  12
THR A 316
 None
 0.79A 3ia4C-3dgzA:
undetectable		 3ia4C-3dgzA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fsc QDTC

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00132
(Hexapep) 		4 ILE A 191
ARG A 182
ILE A 179
THR A 211
 None
 1.17A 3ia4C-3fscA:
undetectable		 3ia4C-3fscA:
19.41
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.
3gqc DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		4 ILE A 419
ARG A 693
ILE A 614
THR A 577
 None
 1.16A 3ia4C-3gqcA:
undetectable		 3ia4C-3gqcA:
17.13
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.
3hzh CHEMOTAXIS RESPONSE
REGULATOR (CHEY-3)

(Borreliella
burgdorferi) 		PF00072
(Response_reg) 		4 ILE A 106
ARG A  16
ILE A 104
THR A  37
 None
 1.22A 3ia4C-3hzhA:
undetectable		 3ia4C-3hzhA:
19.78
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 15
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 9

(Thermus
thermophilus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF11497
(NADH_Oxid_Nqo15)
PF12838
(Fer4_7)
PF13510
(Fer2_4) 		4 ILE 7  41
ARG 3 241
ILE 9  54
THR 7  53
 None
None
SF4  9 184 (-4.5A)
None
 1.28A 3ia4C-3i9v7:
undetectable		 3ia4C-3i9v7:
21.74
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.
3jtw DIHYDROFOLATE
REDUCTASE

(Pediococcus
pentosaceus) 		PF01872
(RibD_C) 		4 ILE A 134
ARG A  74
ILE A   6
THR A 136
 None
None
None
UNL  A 178 ( 3.8A)
 1.05A 3ia4C-3jtwA:
15.7		 3ia4C-3jtwA:
26.56
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.
3kf8 PROTEIN TEN1

(Candida
tropicalis) 		PF12658
(Ten1) 		4 ILE B  42
ARG B  25
ILE B  60
THR B  78
 None
 1.04A 3ia4C-3kf8B:
undetectable		 3ia4C-3kf8B:
23.93
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.
3lda DNA REPAIR PROTEIN
RAD51

(Saccharomyces
cerevisiae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		4 ILE A 218
ARG A 312
ILE A 277
THR A 220
 None
 1.28A 3ia4C-3ldaA:
undetectable		 3ia4C-3ldaA:
17.30
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.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		4 ILE A 467
ARG A 334
ILE A 410
THR A 444
 None
 1.25A 3ia4C-3mosA:
undetectable		 3ia4C-3mosA:
12.99
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.
3n0a TYROSINE-PROTEIN
PHOSPHATASE AUXILIN

(Bos taurus) 		PF10409
(PTEN_C2) 		4 ILE A 283
ARG A 275
ILE A 281
THR A 263
 None
CL  A 402 (-3.0A)
None
None
 1.21A 3ia4C-3n0aA:
undetectable		 3ia4C-3n0aA:
18.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ndp ADENYLATE KINASE
ISOENZYME 4

(Homo sapiens) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 ILE A  44
ARG A  92
ILE A  58
THR A  48
 None
None
None
SO4  A 504 (-4.1A)
 1.25A 3ia4C-3ndpA:
2.3		 3ia4C-3ndpA:
19.67
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.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 4 ILE A  41
ARG A 148
ILE A 107
THR A  91
 None
None
None
SAH  A 300 (-3.9A)
 1.16A 3ia4C-3njrA:
undetectable		 3ia4C-3njrA:
20.38
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.
3oh8 NUCLEOSIDE-DIPHOSPHA
TE SUGAR EPIMERASE
(SULA FAMILY)

(Corynebacterium
glutamicum) 		PF01370
(Epimerase)
PF08338
(DUF1731) 		4 ILE A 105
ARG A 428
ILE A   9
THR A   5
 None
 1.07A 3ia4C-3oh8A:
undetectable		 3ia4C-3oh8A:
14.85
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.
3oo3 OXY PROTEIN

(Actinoplanes
teichomyceticus) 		PF00067
(p450) 		4 ILE A 200
ARG A  89
ILE A 203
THR A 184
 None
 1.20A 3ia4C-3oo3A:
undetectable		 3ia4C-3oo3A:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		4 ILE A 380
ARG A 618
ILE A 381
THR A 489
 None
SO4  A1001 (-3.7A)
None
None
 1.21A 3ia4C-3opyA:
undetectable		 3ia4C-3opyA:
11.21
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.
3q0g ENOYL-COA HYDRATASE
ECHA8

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		4 ILE A  17
ARG A 145
ILE A  54
THR A   5
 None
 1.13A 3ia4C-3q0gA:
undetectable		 3ia4C-3q0gA:
20.55
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.
3q6d PROLINE DIPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ILE A 333
ARG A 269
ILE A 255
THR A 344
 None
 1.09A 3ia4C-3q6dA:
undetectable		 3ia4C-3q6dA:
20.29
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.
3r24 2'-O-METHYL
TRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06460
(NSP13) 		4 ILE A 128
ARG A 283
ILE A 127
THR A  82
 None
 1.22A 3ia4C-3r24A:
undetectable		 3ia4C-3r24A:
20.29
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.
3rpl D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF03320
(FBPase_glpX) 		4 ILE A  92
ARG A  43
ILE A  94
THR A 289
 None
 1.06A 3ia4C-3rplA:
undetectable		 3ia4C-3rplA:
19.15
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ILE A 854
ARG A 813
ILE A 858
THR A 852
 None
 1.15A 3ia4C-3sunA:
undetectable		 3ia4C-3sunA:
11.49
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.
3ubg NEURAL-CADHERIN

(Drosophila
melanogaster) 		PF00028
(Cadherin) 		4 ILE A 673
ARG A 745
ILE A 671
THR A 728
 None
 1.09A 3ia4C-3ubgA:
undetectable		 3ia4C-3ubgA:
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.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 ILE A 571
ARG A  69
ILE A 555
THR A 319
 None
 1.23A 3ia4C-3vskA:
undetectable		 3ia4C-3vskA:
13.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsm OCCLUSION-DERIVED
VIRUS ENVELOPE
PROTEIN E66

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF04850
(Baculo_E66) 		4 ILE A 267
ARG A 251
ILE A 264
THR A 306
 None
 1.07A 3ia4C-3vsmA:
undetectable		 3ia4C-3vsmA:
12.59
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.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		4 ILE A 603
ARG A 510
ILE A 549
THR A 605
 None
 1.22A 3ia4C-3zdrA:
undetectable		 3ia4C-3zdrA:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a5a NUCLEOSIDE-TRIPHOSPH
ATASE 1

(Toxoplasma
gondii) 		PF01150
(GDA1_CD39) 		4 ILE A  95
ARG A 249
ILE A 100
THR A 612
 None
 1.08A 3ia4C-4a5aA:
undetectable		 3ia4C-4a5aA:
13.28
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.
4ap3 STEROID
MONOOXYGENASE

(Rhodococcus
rhodochrous) 		PF00743
(FMO-like) 		4 ILE A 207
ARG A 193
ILE A 210
THR A 199
 None
 0.96A 3ia4C-4ap3A:
undetectable		 3ia4C-4ap3A:
14.73
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.
4b67 L-ORNITHINE N5
MONOOXYGENASE

(Aspergillus
fumigatus) 		PF13434
(K_oxygenase) 		4 ILE A 210
ARG A 423
ILE A 208
THR A 213
 FAD  A1492 (-3.5A)
None
None
None
 1.15A 3ia4C-4b67A:
undetectable		 3ia4C-4b67A:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dn7 ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Methanosarcina
mazei) 		PF01458
(UPF0051) 		4 ILE A 163
ARG A  67
ILE A 132
THR A 220
 None
 1.02A 3ia4C-4dn7A:
undetectable		 3ia4C-4dn7A:
17.66
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.
4fs3 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH] FABI

(Staphylococcus
aureus) 		PF13561
(adh_short_C2) 		4 ILE A  20
ARG A 219
ILE A 193
THR A 146
 0WD  A 301 (-3.9A)
None
None
None
 1.24A 3ia4C-4fs3A:
undetectable		 3ia4C-4fs3A:
22.14
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		4 ILE A 217
ARG A 560
ILE A 257
THR A 215
 None
BES  A 702 (-4.0A)
None
None
 1.09A 3ia4C-4gaaA:
undetectable		 3ia4C-4gaaA:
14.23
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.
4gsn GLUTATHIONE
S-TRANSFERASE E2

(Anopheles
gambiae) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 ILE A 183
ARG A  16
ILE A 187
THR A 144
 None
 0.88A 3ia4C-4gsnA:
undetectable		 3ia4C-4gsnA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hl4 TBC1 DOMAIN FAMILY
MEMBER 20

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		4 ILE A 133
ARG A 109
ILE A 130
THR A 171
 None
 1.22A 3ia4C-4hl4A:
undetectable		 3ia4C-4hl4A:
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.
4iuy SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE

(Acinetobacter
baumannii) 		PF00106
(adh_short) 		4 ILE A  35
ARG A 137
ILE A  11
THR A  62
 None
 1.24A 3ia4C-4iuyA:
undetectable		 3ia4C-4iuyA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j9v POTASSIUM UPTAKE
PROTEIN TRKA

(Vibrio
parahaemolyticus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		4 ILE A   5
ARG A 364
ILE A   3
THR A  14
 None
 1.06A 3ia4C-4j9vA:
undetectable		 3ia4C-4j9vA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4joi CST COMPLEX SUBUNIT
STN1
CST COMPLEX SUBUNIT
TEN1

(Homo sapiens) 		PF01336
(tRNA_anti-codon)
PF09170
(STN1_2)
no annotation 		4 ILE A 138
ARG D 119
ILE A  54
THR A 140
 None
 1.27A 3ia4C-4joiA:
undetectable		 3ia4C-4joiA:
25.56
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.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 ILE A 459
ARG A 427
ILE A 486
THR A 463
 None
 1.22A 3ia4C-4lxrA:
undetectable		 3ia4C-4lxrA:
13.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nao PUTATIVE OXYGENASE

(Claviceps
purpurea) 		PF05721
(PhyH) 		4 ILE A  35
ARG A 112
ILE A  23
THR A 165
 None
 0.88A 3ia4C-4naoA:
undetectable		 3ia4C-4naoA:
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.
4non FERROUS IRON UPTAKE
TRANSPORTER PROTEIN
B

(Streptococcus
thermophilus) 		PF02421
(FeoB_N) 		4 ILE A 201
ARG A 175
ILE A 180
THR A  99
 ILE  A 201 ( 0.7A)
ARG  A 175 ( 0.6A)
ILE  A 180 ( 0.6A)
THR  A  99 ( 0.8A)
 1.01A 3ia4C-4nonA:
2.1		 3ia4C-4nonA:
25.78
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.
4pkv LETHAL FACTOR

(Bacillus
anthracis) 		PF07737
(ATLF)
PF09156
(Anthrax-tox_M) 		4 ILE A 463
ARG A 502
ILE A 543
THR A 461
 None
 1.23A 3ia4C-4pkvA:
undetectable		 3ia4C-4pkvA:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pmd ENDO-1,4-BETA-XYLANA
SE

(Caldicellulosiruptor
bescii) 		PF00331
(Glyco_hydro_10) 		4 ILE A 233
ARG A  85
ILE A 291
THR A 235
 None
 1.21A 3ia4C-4pmdA:
undetectable		 3ia4C-4pmdA:
19.02
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.
4utt PUTATIVE
N-ACETYLMANNOSAMINE-
6-PHOSPHATE
2-EPIMERASE

(Clostridium
perfringens) 		PF04131
(NanE) 		4 ILE A  61
ARG A 208
ILE A  42
THR A  89
 None
ACT  A1223 (-4.8A)
None
None
 0.99A 3ia4C-4uttA:
undetectable		 3ia4C-4uttA:
24.76
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.
4wfi CUTINASE

(Saccharomonospora
viridis) 		PF03403
(PAF-AH_p_II) 		4 ILE A 126
ARG A 156
ILE A  86
THR A  96
 None
 1.10A 3ia4C-4wfiA:
undetectable		 3ia4C-4wfiA:
21.98
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.
4z48 UNCHARACTERIZED
PROTEIN

(Desulfovibrio
piger) 		PF17131
(LolA_like) 		4 ILE A  88
ARG A 237
ILE A 147
THR A  99
 None
 1.29A 3ia4C-4z48A:
undetectable		 3ia4C-4z48A:
18.29
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.
4zju ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Acinetobacter
baumannii) 		PF13561
(adh_short_C2) 		4 ILE A  22
ARG A 221
ILE A 195
THR A 148
 NAD  A 300 (-3.9A)
None
NAD  A 300 (-4.5A)
None
 1.26A 3ia4C-4zjuA:
undetectable		 3ia4C-4zjuA:
18.91
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.
5a5l D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE

(Thermosynechococcus
elongatus) 		PF03320
(FBPase_glpX) 		4 ILE A  92
ARG A  43
ILE A  94
THR A 290
 None
 1.04A 3ia4C-5a5lA:
undetectable		 3ia4C-5a5lA:
19.67
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.
5aho 5' EXONUCLEASE
APOLLO

(Homo sapiens) 		PF07522
(DRMBL) 		4 ILE A 177
ARG A 207
ILE A 229
THR A 251
 None
None
None
EDO  A1314 (-3.4A)
 1.15A 3ia4C-5ahoA:
undetectable		 3ia4C-5ahoA:
19.23
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		4 ILE A 248
ARG A 309
ILE A 246
THR A 322
 None
 0.90A 3ia4C-5bn4A:
0.9		 3ia4C-5bn4A:
15.00
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.
5bov PUTATIVE EPOXIDE
HYDROLASE PROTEIN

(Klebsiella
pneumoniae) 		PF00561
(Abhydrolase_1) 		4 ILE A  55
ARG A  63
ILE A  48
THR A 105
 None
 1.07A 3ia4C-5bovA:
undetectable		 3ia4C-5bovA:
20.73
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ILE A 505
ARG A 759
ILE A 500
THR A 859
 None
 1.26A 3ia4C-5chcA:
undetectable		 3ia4C-5chcA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dhg SOLUBLE CYTOCHROME
B562,NOCICEPTIN
RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1) 		4 ILE A  76
ARG A 162
ILE A  88
THR A  80
 None
 1.18A 3ia4C-5dhgA:
undetectable		 3ia4C-5dhgA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ILE A  11
ARG A 497
ILE A  12
THR A 369
 None
 1.20A 3ia4C-5erbA:
undetectable		 3ia4C-5erbA:
14.46
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.
5ftp ANAPHASE-PROMOTING
COMPLEX SUBUNIT 8

(Schizosaccharomyces
pombe) 		PF04049
(ANAPC8) 		4 ILE A 235
ARG A 276
ILE A 239
THR A 233
 None
 1.21A 3ia4C-5ftpA:
undetectable		 3ia4C-5ftpA:
19.86
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.
5gn1 ATP-DEPENDENT
HELICASE FUN30

(Saccharomyces
cerevisiae) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		4 ILE A 817
ARG A 872
ILE A1074
THR A 815
 None
 1.29A 3ia4C-5gn1A:
undetectable		 3ia4C-5gn1A:
17.91
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.
5i6e ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		4 ILE A1292
ARG A1441
ILE A1341
THR A1288
 None
 1.15A 3ia4C-5i6eA:
undetectable		 3ia4C-5i6eA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6e ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF08326
(ACC_central) 		4 ILE A1342
ARG A1410
ILE A1387
THR A1344
 None
 1.23A 3ia4C-5i6eA:
undetectable		 3ia4C-5i6eA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iip GLYCINE
BETAINE/CARNITINE/CH
OLINE ABC
TRANSPORTER%2C
ATP-BINDING
PROTEIN%2C PUTATIVE

(Staphylococcus
aureus) 		PF00571
(CBS) 		4 ILE A 261
ARG A 278
ILE A 282
THR A 266
 None
 1.12A 3ia4C-5iipA:
undetectable		 3ia4C-5iipA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ik2 ATP SYNTHASE SUBUNIT
ALPHA

(Caldalkalibacillus
thermarum) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 ILE A 178
ARG A 383
ILE A 153
THR A 173
 None
None
None
ADP  A 600 (-4.4A)
 1.29A 3ia4C-5ik2A:
undetectable		 3ia4C-5ik2A:
17.61
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.
5jd8 PERIPLASMIC SERINE
PEPTIDASE DEGS

(Yersinia pestis) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 ILE A 258
ARG A 336
ILE A 260
THR A 348
 None
 1.10A 3ia4C-5jd8A:
undetectable		 3ia4C-5jd8A:
18.93
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.
5l75 LIPOPOLYSACCHARIDE
ABC TRANSPORTER,
ATP-BINDING PROTEIN
LPTB

(Klebsiella
pneumoniae) 		PF00005
(ABC_tran)
PF12399
(BCA_ABC_TP_C) 		4 ILE A 180
ARG A 143
ILE A 179
THR A 200
 None
 1.13A 3ia4C-5l75A:
2.0		 3ia4C-5l75A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 ILE A 661
ARG A 672
ILE A 662
THR A 558
 None
None
None
ACT  A2201 (-3.3A)
 0.97A 3ia4C-5m59A:
undetectable		 3ia4C-5m59A:
6.86
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.
5mp2 CAMELID NANOBODY
VHH04

(Lama glama) 		no annotation 4 ILE C  53
ARG C  19
ILE C  51
THR C  28
 None
 1.01A 3ia4C-5mp2C:
undetectable		 3ia4C-5mp2C:
18.29
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.
5nec TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 ILE A  78
ARG A  50
ILE A  95
THR A  74
 None
 1.19A 3ia4C-5necA:
undetectable		 3ia4C-5necA:
20.29
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.
5ver KYNURENINE--OXOGLUTA
RATE TRANSAMINASE 3

(Mus musculus) 		no annotation 4 ILE A 212
ARG A 168
ILE A 213
THR A 242
 None
 1.19A 3ia4C-5verA:
undetectable		 3ia4C-5verA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vfr 26S PROTEASOME
REGULATORY SUBUNIT
6B

(Homo sapiens) 		no annotation 4 ILE D 378
ARG D 338
ILE D 370
THR D 349
 None
 1.14A 3ia4C-5vfrD:
undetectable		 3ia4C-5vfrD:
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.
5w5y RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN6

(Saccharomyces
cerevisiae) 		PF10214
(Rrn6) 		4 ILE O 203
ARG O 273
ILE O 216
THR O 220
 None
 1.29A 3ia4C-5w5yO:
undetectable		 3ia4C-5w5yO:
10.87
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.
5wo6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6

(Rattus
norvegicus) 		PF00520
(Ion_trans)
PF12796
(Ank_2)
PF13637
(Ank_4) 		4 ILE A 295
ARG A 262
ILE A 306
THR A 297
 ILE  A 295 ( 0.7A)
ARG  A 262 ( 0.6A)
ILE  A 306 ( 0.7A)
THR  A 297 ( 0.8A)
 1.16A 3ia4C-5wo6A:
undetectable		 3ia4C-5wo6A:
13.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x6x MRNA CAPPING ENZYME
P5

(Rice dwarf
virus) 		no annotation 4 ILE C 304
ARG C 422
ILE C 283
THR C 323
 None
 1.15A 3ia4C-5x6xC:
undetectable		 3ia4C-5x6xC:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
ALDEHYDE OXIDASE
SMALL SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 4 ILE A  78
ARG A  93
ILE C  48
THR A  76
 None
 1.19A 3ia4C-5y6qA:
undetectable		 3ia4C-5y6qA:
24.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zh5 LYSINE--TRNA LIGASE

(Plasmodium
falciparum) 		no annotation 4 ILE A 403
ARG A 559
ILE A 468
THR A 489
 None
9CX  A 602 (-3.3A)
None
None
 1.03A 3ia4C-5zh5A:
undetectable		 3ia4C-5zh5A:
18.52