SIMILAR PATTERNS OF AMINO ACIDS FOR 3IA4_C_MTXC164_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
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