SIMILAR PATTERNS OF AMINO ACIDS FOR 3IA4_B_MTXB164_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
ILE A  51
ARG A  53
LEU A  55
ARG A  58
 None
 0.90A 3ia4B-1cz3A:
20.3		 3ia4B-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 ILE A   7
ALA A   9
GLU A  30
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-3.0A)
NAP  A 191 ( 4.1A)
None
None
None
None
 0.90A 3ia4B-1dr6A:
21.1		 3ia4B-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.
1gyt CYTOSOL
AMINOPEPTIDASE

(Escherichia
coli) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 ILE A  31
GLU A  11
SER A  44
ILE A  43
LEU A  75
 None
 1.29A 3ia4B-1gytA:
undetectable		 3ia4B-1gytA:
16.27
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 3ia4B-1ljyA:
undetectable		 3ia4B-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.
1mje BREAST CANCER 2

(Mus musculus) 		PF09103
(BRCA-2_OB1)
PF09104
(BRCA-2_OB3)
PF09121
(Tower)
PF09169
(BRCA-2_helical) 		5 ILE A2614
LEU A2653
GLN A2652
ILE A2672
LEU A2642
 None
 1.32A 3ia4B-1mjeA:
undetectable		 3ia4B-1mjeA:
12.50
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.
1oi7 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Thermus
thermophilus) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 ILE A  95
ALA A  77
MET A 104
LEU A 118
ILE A 183
 None
 1.30A 3ia4B-1oi7A:
2.8		 3ia4B-1oi7A:
19.45
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA A  84
LEU A 246
SER A 353
ILE A 356
LEU A 414
 None
 1.10A 3ia4B-1tqyA:
undetectable		 3ia4B-1tqyA:
17.79
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 ILE A   7
ALA A   9
GLU A  30
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-3.0A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.76A 3ia4B-1u70A:
20.7		 3ia4B-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 ILE A   7
ALA A   9
GLU A  30
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-2.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
None
None
 0.79A 3ia4B-1u71A:
21.0		 3ia4B-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
 1.19A 3ia4B-1v0bA:
undetectable		 3ia4B-1v0bA:
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		5 ILE A 158
ALA A 100
SER A  72
ILE A  73
LEU A 153
 None
 1.13A 3ia4B-1xocA:
undetectable		 3ia4B-1xocA:
16.35
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 ILE A   5
ALA A   7
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.47A 3ia4B-1zdrA:
25.0		 3ia4B-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 ILE A   5
ALA A   7
LEU A  28
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.56A 3ia4B-1zdrA:
25.0		 3ia4B-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) 		7 ILE A  13
ALA A  15
SER A 120
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.91A 3ia4B-2blbA:
20.5		 3ia4B-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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 ILE A1263
ALA A1061
LEU A1064
ILE A1300
TYR A1309
 None
 1.01A 3ia4B-2boaA:
undetectable		 3ia4B-2boaA:
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.
2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT
C-PHYCOCYANIN BETA
SUBUNIT

(Gracilaria
chilensis) 		PF00502
(Phycobilisome) 		5 ILE A   9
ALA A  12
GLU A  23
LEU A  24
ILE B  44
 None
None
None
PEB  B1175 ( 4.6A)
None
 1.30A 3ia4B-2bv8A:
undetectable		 3ia4B-2bv8A:
21.47
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  28
SER A  83
ILE A  84
LEU A  91
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 ( 4.4A)
None
None
None
None
 0.98A 3ia4B-2h2qA:
19.5		 3ia4B-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.
2nps SYNTAXIN 13
SYNTAXIN-6
VESICLE-ASSOCIATED
MEMBRANE PROTEIN 4

(Homo sapiens;
Mus musculus;
Rattus
norvegicus) 		PF00957
(Synaptobrevin)
PF05739
(SNARE)
no annotation 		5 ILE B 195
ALA B 193
ILE A  54
ARG A  50
LEU D 173
 None
 1.11A 3ia4B-2npsB:
undetectable		 3ia4B-2npsB:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
LEU A  33
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)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.77A 3ia4B-2oipA:
21.3		 3ia4B-2oipA:
15.08
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
ILE A  51
ARG A  53
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 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.51A 3ia4B-2qk8A:
26.2		 3ia4B-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.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		5 ALA E 100
MET E 125
LEU E 166
ARG E 195
LEU E 201
 None
 1.21A 3ia4B-2vdvE:
undetectable		 3ia4B-2vdvE:
19.47
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) 		6 ALA A  11
LEU A  32
SER A  53
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-4.7A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.99A 3ia4B-2w3wA:
24.6		 3ia4B-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) 		8 ILE A   5
ALA A   7
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.58A 3ia4B-2w9sA:
25.9		 3ia4B-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.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ILE A 549
SER A 894
ILE A 895
ARG A 899
LEU A 393
 None
 1.15A 3ia4B-2x0sA:
undetectable		 3ia4B-2x0sA:
10.93
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.
2x24 ACETYL-COA
CARBOXYLASE

(Bos taurus) 		PF01039
(Carboxyl_trans) 		5 ILE A 147
SER A 254
ILE A 253
LEU A 335
ARG A 111
 None
 1.18A 3ia4B-2x24A:
undetectable		 3ia4B-2x24A:
12.55
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.
2ze0 ALPHA-GLUCOSIDASE

(Geobacillus sp.
HTA-462) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ILE A  96
ALA A  11
LEU A  93
ILE A  33
LEU A  84
 None
 1.17A 3ia4B-2ze0A:
undetectable		 3ia4B-2ze0A:
16.46
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.
3a5x FLAGELLIN

(Salmonella
enterica) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF08884
(Flagellin_D3) 		5 ALA A 413
LEU A  88
GLN A  89
ILE A 162
LEU A  81
 None
 1.26A 3ia4B-3a5xA:
undetectable		 3ia4B-3a5xA:
14.23
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) 		5 ALA A   6
LEU A  27
SER A  48
LEU A  54
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
 0.87A 3ia4B-3dfrA:
24.3		 3ia4B-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) 		7 ILE A  14
ALA A  16
SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-4.5A)
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)
 0.88A 3ia4B-3dg8A:
20.5		 3ia4B-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.
3emq ENDO-1,4-BETA-XYLANA
SE

(Paenibacillus
barcinonensis) 		PF00331
(Glyco_hydro_10) 		5 ILE A  67
ALA A  63
GLN A  28
ARG A  74
TYR A 122
 None
 1.30A 3ia4B-3emqA:
undetectable		 3ia4B-3emqA:
19.94
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.
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
 1.18A 3ia4B-3gcdA:
undetectable		 3ia4B-3gcdA:
17.94
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
 0.64A 3ia4B-3i8aX:
25.7		 3ia4B-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
 0.80A 3ia4B-3i8aX:
25.7		 3ia4B-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) 		5 ALA A  10
GLU A  30
LEU A  31
ARG A  56
LEU A  58
 MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
None
MTX  A 200 ( 4.0A)
 0.94A 3ia4B-3ix9A:
25.2		 3ia4B-3ix9A:
33.85
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) 		5 ILE A   8
ALA A  10
GLU A  30
LEU A  31
GLN A  32
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
None
 0.93A 3ia4B-3ix9A:
25.2		 3ia4B-3ix9A:
33.85
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) 		6 ILE A   8
ALA A  10
GLU A  30
LEU A  31
LEU A  58
ARG A  61
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-2.7A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
 0.27A 3ia4B-3ix9A:
25.2		 3ia4B-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.
3k31 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE

(Anaplasma
phagocytophilum) 		PF13561
(adh_short_C2) 		5 ILE A  14
ALA A  39
MET A  77
LEU A  88
ILE A 129
 None
 1.16A 3ia4B-3k31A:
undetectable		 3ia4B-3k31A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kh1 PREDICTED
METAL-DEPENDENT
PHOSPHOHYDROLASE

(Magnetospirillum
magnetotacticum) 		PF13023
(HD_3) 		5 ILE A  47
ALA A 138
LEU A 145
ILE A  86
TYR A 125
 None
 1.27A 3ia4B-3kh1A:
undetectable		 3ia4B-3kh1A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
SER A  72
ILE A  73
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 ( 4.2A)
None
None
None
None
 0.89A 3ia4B-3kjrA:
20.9		 3ia4B-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.
3n0l SERINE
HYDROXYMETHYLTRANSFE
RASE

(Campylobacter
jejuni) 		PF00464
(SHMT) 		5 ILE A  28
ALA A 361
SER A 376
ILE A 379
LEU A 330
 None
 1.22A 3ia4B-3n0lA:
undetectable		 3ia4B-3n0lA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.23A 3ia4B-3nizA:
undetectable		 3ia4B-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
 1.28A 3ia4B-3oxpA:
undetectable		 3ia4B-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.
3oz2 DIGERANYLGERANYLGLYC
EROPHOSPHOLIPID
REDUCTASE

(Thermoplasma
acidophilum) 		PF01494
(FAD_binding_3) 		5 ILE A  83
ALA A  72
ILE A 291
ARG A 341
LEU A 378
 None
GOL  A 515 ( 4.4A)
OZ2  A 502 (-4.8A)
None
None
 1.26A 3ia4B-3oz2A:
undetectable		 3ia4B-3oz2A:
19.17
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.
3qh4 ESTERASE LIPW

(Mycobacterium
marinum) 		PF07859
(Abhydrolase_3) 		5 ILE A 278
ALA A 282
LEU A 299
SER A 161
LEU A 247
 None
 1.32A 3ia4B-3qh4A:
undetectable		 3ia4B-3qh4A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
SER A  89
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
None
None
None
 0.80A 3ia4B-3rg9A:
19.4		 3ia4B-3rg9A:
29.22
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) 		5 ALA A   7
SER A  50
ILE A  51
LEU A  55
ARG A  58
 NDP  A1001 ( 4.1A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.85A 3ia4B-3tq9A:
26.1		 3ia4B-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 ILE A   6
ALA A   8
LEU A  29
SER A  50
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-3.9A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.38A 3ia4B-3tq9A:
26.1		 3ia4B-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 ILE A  14
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 ( 4.4A)
None
None
None
 0.68A 3ia4B-3um6A:
20.3		 3ia4B-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) 		6 ALA A   8
SER A  56
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
 0.87A 3ia4B-3vcoA:
18.4		 3ia4B-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
 1.21A 3ia4B-3vtaA:
undetectable		 3ia4B-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.
3wme ATP-BINDING
CASSETTE, SUB-FAMILY
B, MEMBER 1

(Cyanidioschyzon
merolae) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 ILE A 443
ALA A 512
LEU A 490
GLN A 489
ILE A 464
 None
 1.30A 3ia4B-3wmeA:
undetectable		 3ia4B-3wmeA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3ia4B-4b8bA:
undetectable		 3ia4B-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
 1.13A 3ia4B-4bedB:
undetectable		 3ia4B-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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 ALA A  97
GLU A 129
LEU A  55
GLN A 128
LEU A 115
 None
 1.27A 3ia4B-4bqiA:
undetectable		 3ia4B-4bqiA:
10.74
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.
4brz HALOALKANE
DEHALOGENASE

(Rhodobacteraceae) 		PF00561
(Abhydrolase_1) 		5 LEU A  42
SER A 176
ILE A 177
ARG A 179
LEU A 181
 None
 1.32A 3ia4B-4brzA:
undetectable		 3ia4B-4brzA:
20.58
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.
4buj ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ILE C 236
ALA C 189
SER C 212
ILE C 211
LEU C 248
 None
 1.24A 3ia4B-4bujC:
undetectable		 3ia4B-4bujC:
18.55
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ILE X  10
ALA X  12
GLU X  32
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.71A 3ia4B-4g8zX:
20.3		 3ia4B-4g8zX:
29.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7n ALDEHYDE
DEHYDROGENASE

(Trichormus
variabilis) 		PF00171
(Aldedh) 		5 ILE A 145
LEU A 137
ILE A  60
ARG A  64
LEU A  89
 None
 1.20A 3ia4B-4h7nA:
undetectable		 3ia4B-4h7nA:
17.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		9 ILE A   9
ALA A  11
MET A  25
GLU A  32
SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
NDP  A 201 (-3.9A)
14Q  A 202 (-2.8A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
None
 0.90A 3ia4B-4h96A:
18.1		 3ia4B-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 ILE A   9
ALA A  11
GLU A  32
SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-2.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
None
None
 0.67A 3ia4B-4h98A:
19.3		 3ia4B-4h98A:
32.65
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.
4hi0 UREASE ACCESSORY
PROTEIN UREH

(Helicobacter
pylori) 		PF01774
(UreD) 		5 ILE B 207
ALA B 254
LEU B 200
SER B 219
ILE B 216
 None
 1.20A 3ia4B-4hi0B:
undetectable		 3ia4B-4hi0B:
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.
4hxi KELCH-LIKE PROTEIN 3

(Homo sapiens) 		PF00651
(BTB)
PF07707
(BACK) 		5 ILE A  91
LEU A 130
SER A 102
ILE A 105
LEU A  68
 None
 1.26A 3ia4B-4hxiA:
undetectable		 3ia4B-4hxiA:
19.06
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.
4iao NAD-DEPENDENT
HISTONE DEACETYLASE
SIR2

(Saccharomyces
cerevisiae) 		PF02146
(SIR2)
PF04574
(DUF592) 		5 ILE A 248
ALA A 521
LEU A 332
ILE A 468
LEU A 466
 None
 1.28A 3ia4B-4iaoA:
undetectable		 3ia4B-4iaoA:
15.48
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 ILE A   5
ALA A   7
SER A  49
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
NDP  A 201 (-3.6A)
None
None
None
 0.63A 3ia4B-4m2xA:
23.0		 3ia4B-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
 1.27A 3ia4B-4m3nA:
undetectable		 3ia4B-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 ILE A   5
ALA A   7
LEU A  28
LEU A  55
ARG A  58
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.55A 3ia4B-4m7vA:
24.8		 3ia4B-4m7vA:
39.43
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) 		7 ILE A   5
ALA A   7
MET A  20
SER A  49
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 ( 3.6A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
None
 0.59A 3ia4B-4p68A:
28.0		 3ia4B-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.
4pfi TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Marinobacter
hydrocarbonoclasticus) 		PF03480
(DctP) 		5 ILE A 146
ALA A 148
LEU A 139
ILE A 255
ARG A 253
 None
 1.32A 3ia4B-4pfiA:
undetectable		 3ia4B-4pfiA:
19.64
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.
4qdv M7GPPPX
DIPHOSPHATASE

(Homo sapiens) 		PF05652
(DcpS)
PF11969
(DcpS_C) 		5 ILE A 219
GLU A 185
SER A 172
ILE A 173
ARG A 225
 30U  A 401 (-4.4A)
30U  A 401 (-2.3A)
None
None
None
 1.31A 3ia4B-4qdvA:
undetectable		 3ia4B-4qdvA:
16.52
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 ILE A  95
LEU A  57
SER A  33
ILE A  34
LEU A 101
 None
 1.23A 3ia4B-4r7uA:
undetectable		 3ia4B-4r7uA:
18.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u5a SPOROZOITE MICRONEME
PROTEIN ESSENTIAL
FOR CELL TRAVERSAL

(Plasmodium
berghei) 		no annotation 5 ILE A 163
LEU A 158
SER A 179
ILE A 180
LEU A 194
 None
 1.30A 3ia4B-4u5aA:
undetectable		 3ia4B-4u5aA:
20.47
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.
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
 1.10A 3ia4B-4ud8A:
undetectable		 3ia4B-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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 ILE A  58
ALA A  95
MET A 146
LEU A  76
ILE A 156
 None
 1.32A 3ia4B-4uozA:
undetectable		 3ia4B-4uozA:
12.45
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.
4wzw PUMILIO
DOMAIN-CONTAINING
PROTEIN KIAA0020

(Homo sapiens) 		PF08144
(CPL) 		5 ILE A 411
LEU A 404
SER A 423
ILE A 422
LEU A 445
 None
 1.23A 3ia4B-4wzwA:
undetectable		 3ia4B-4wzwA:
15.24
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.
4xr7 PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Saccharomyces
cerevisiae) 		no annotation 5 ILE G 851
LEU G 739
GLN G 620
ILE G 699
LEU G 673
 None
 1.30A 3ia4B-4xr7G:
undetectable		 3ia4B-4xr7G:
11.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xvx ACYL-[ACYL-CARRIER-P
ROTEIN]
DEHYDROGENASE MBTN

(Mycobacterium
tuberculosis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A  79
ALA A 200
GLN A  32
SER A 155
ILE A 157
 None
 1.31A 3ia4B-4xvxA:
undetectable		 3ia4B-4xvxA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z7y DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Sulfolobus
solfataricus) 		PF00288
(GHMP_kinases_N) 		5 ILE A 181
ALA A 276
MET A 238
ILE A  13
LEU A  39
 None
 1.15A 3ia4B-4z7yA:
undetectable		 3ia4B-4z7yA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxs VIRION EGRESS
PROTEIN UL31
VIRION EGRESS
PROTEIN UL34

(Human
alphaherpesvirus
1) 		PF02718
(Herpes_UL31)
PF04541
(Herpes_U34) 		5 ILE A 119
ALA A 165
LEU B 116
ILE B 231
LEU B  98
 None
None
None
NA  B 402 (-3.8A)
None
 1.30A 3ia4B-4zxsA:
undetectable		 3ia4B-4zxsA:
17.99
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) 		5 ALA A   6
SER A  66
ILE A  67
LEU A  71
ARG A  74
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
 0.95A 3ia4B-5dxvA:
16.2		 3ia4B-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 ILE A   5
ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 None
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
 0.72A 3ia4B-5dxvA:
16.2		 3ia4B-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) 		5 ILE A   5
LEU A  45
LEU A  71
ARG A  74
TYR A 117
 None
PEG  A 202 (-4.2A)
None
None
None
 0.93A 3ia4B-5dxvA:
16.2		 3ia4B-5dxvA:
42.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
SER A  50
ILE A  51
LEU A  55
TYR A 101
 None
 0.88A 3ia4B-5fdaA:
18.8		 3ia4B-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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 ALA A1426
GLU A1478
GLN A1477
ILE A1406
LEU A1469
 None
 1.14A 3ia4B-5jbeA:
undetectable		 3ia4B-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.
5ng6 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Francisella
tularensis) 		no annotation 5 MET A 352
LEU A 529
GLN A 532
SER A 503
ILE A 502
 None
 1.16A 3ia4B-5ng6A:
undetectable		 3ia4B-5ng6A:
7.67
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.
5nof ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Thermococcus
kodakarensis) 		no annotation 5 ILE A 171
ALA A  56
LEU A  21
ILE A  33
LEU A  37
 None
 1.32A 3ia4B-5nofA:
undetectable		 3ia4B-5nofA:
19.75
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.
5nug CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ALA A4188
LEU A4212
SER A4162
ILE A4164
ARG A4168
 None
 1.28A 3ia4B-5nugA:
undetectable		 3ia4B-5nugA:
3.00
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.
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)
 1.21A 3ia4B-5nxyA:
undetectable		 3ia4B-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.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 5 ILE A 294
ALA A 273
LEU A 284
ILE A 335
LEU A 340
 None
 1.05A 3ia4B-5ny0A:
undetectable		 3ia4B-5ny0A:
17.96
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.
5oge GDP-MANNOSE
TRANSPORTER 1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 265
SER A 102
ILE A  99
LEU A  55
TYR A 281
 None
 1.17A 3ia4B-5ogeA:
undetectable		 3ia4B-5ogeA:
16.32
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  10
SER A  86
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
NDP  A 702 (-3.8A)
None
None
None
 0.70A 3ia4B-5t0lA:
20.6		 3ia4B-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.
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
 1.10A 3ia4B-5wuqA:
undetectable		 3ia4B-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.
5xtb NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL

(Homo sapiens) 		PF00384
(Molybdopterin)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 ILE M 261
SER M 701
ILE M 700
ARG M 301
LEU M 297
 None
 1.17A 3ia4B-5xtbM:
undetectable		 3ia4B-5xtbM:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 5 ILE A 112
ALA A 459
LEU A 109
ILE A 477
LEU A 429
 None
 1.24A 3ia4B-6cczA:
undetectable		 3ia4B-6cczA:
18.87
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ILE A   6
ALA A   8
LEU A  29
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.94A 3ia4B-6cxmA:
21.7		 3ia4B-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 ILE A   6
ALA A   8
SER A  50
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.63A 3ia4B-6cxmA:
21.7		 3ia4B-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
 0.49A 3ia4B-6e4eA:
25.8		 3ia4B-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.
6e4e -

(-) 		no annotation 5 ALA A   7
SER A  49
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 ( 3.5A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.67A 3ia4B-6e4eA:
25.8		 3ia4B-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.
6er3 BNR/ASP-BOX REPEAT
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 ALA A 143
SER A 148
ILE A 150
ARG A  70
TYR A 127
 None
 1.28A 3ia4B-6er3A:
undetectable		 3ia4B-6er3A:
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.
6fa5 PUTATIVE MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		no annotation 5 ILE A 417
ALA A 347
LEU A 444
GLN A 314
SER A 406
 None
 1.26A 3ia4B-6fa5A:
undetectable		 3ia4B-6fa5A:
19.25