SIMILAR PATTERNS OF AMINO ACIDS FOR 1RH3_A_MTXA161_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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ao3 VON WILLEBRAND
FACTOR

(Homo sapiens) 		PF00092
(VWA) 		5 ILE A 140
LEU A  10
SER A  83
ILE A  85
LEU A 154
 None
 1.09A 1rh3A-1ao3A:
undetectable		 1rh3A-1ao3A:
26.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cfr RESTRICTION
ENDONUCLEASE

(Citrobacter
freundii) 		PF07832
(Bse634I) 		5 ILE A 164
LEU A  42
PHE A  21
ILE A  30
LEU A  73
 None
 1.22A 1rh3A-1cfrA:
undetectable		 1rh3A-1cfrA:
19.66
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.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		5 LEU A  43
SER A  66
ILE A  59
LEU A  86
ARG A  89
 None
 1.33A 1rh3A-1cg4A:
2.5		 1rh3A-1cg4A:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 ASP A  27
PHE A  31
ILE A  51
LEU A  55
ARG A  58
 None
 0.50A 1rh3A-1cz3A:
19.7		 1rh3A-1cz3A:
29.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ILE A   7
PHE A  34
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 (-4.1A)
NAP  A 191 ( 4.1A)
None
None
None
None
 0.70A 1rh3A-1dr6A:
20.7		 1rh3A-1dr6A:
33.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eyw PHOSPHOTRIESTERASE

(Brevundimonas
diminuta) 		PF02126
(PTE) 		5 ILE A 106
ASP A 100
LEU A 113
ARG A  76
LEU A  66
 TEN  A 403 ( 4.6A)
None
None
None
None
 1.32A 1rh3A-1eywA:
undetectable		 1rh3A-1eywA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 MET A 153
SER A 178
ILE A 179
ARG A 183
LEU A 275
 None
 1.10A 1rh3A-1h39A:
undetectable		 1rh3A-1h39A:
13.47
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		7 ASP A  36
LEU A  37
PHE A  40
LYS A  41
SER A  58
LEU A  63
ARG A  66
 None
None
None
None
NDP  A 194 ( 3.9A)
None
None
 1.19A 1rh3A-1juvA:
17.8		 1rh3A-1juvA:
27.22
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.
1mg5 ALCOHOL
DEHYDROGENASE

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 LEU A 189
PHE A 193
SER A 153
ILE A 146
LEU A 207
 NAI  A 850 (-3.3A)
None
None
None
None
 1.26A 1rh3A-1mg5A:
undetectable		 1rh3A-1mg5A:
20.80
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.
1nyt SHIKIMATE
5-DEHYDROGENASE

(Escherichia
coli) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ILE A 125
ASP A 212
LEU A 223
PHE A 222
ILE A 208
 None
 1.35A 1rh3A-1nytA:
undetectable		 1rh3A-1nytA:
20.30
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.
1rhi HUMAN RHINOVIRUS 3
COAT PROTEIN

(Rhinovirus B) 		PF00073
(Rhv) 		5 ILE 3  87
PHE 3  92
SER 3 114
ILE 3 113
LEU 3 187
 None
 1.22A 1rh3A-1rhi3:
undetectable		 1rh3A-1rhi3:
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.
1t0a 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Shewanella
oneidensis) 		PF02542
(YgbB) 		5 ILE A 100
ASP A  40
LEU A  43
ILE A 129
LEU A  96
 None
 1.31A 1rh3A-1t0aA:
undetectable		 1rh3A-1t0aA:
21.67
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.
1tvz 3-HYDROXY-3-METHYLGL
UTARYL-COA SYNTHASE

(Staphylococcus
aureus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ILE A 286
LEU A 281
SER A 229
ILE A 300
LEU A 169
 None
 1.07A 1rh3A-1tvzA:
undetectable		 1rh3A-1tvzA:
19.23
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) 		7 ILE A   7
PHE A  34
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MTX  A 187 (-3.8A)
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
 0.69A 1rh3A-1u70A:
20.4		 1rh3A-1u70A:
33.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ILE A   7
PHE A  34
SER A  59
ILE A  60
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.9A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
None
None
 0.64A 1rh3A-1u71A:
20.4		 1rh3A-1u71A:
32.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v93 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Thermus
thermophilus) 		PF02219
(MTHFR) 		5 ASP A 162
LEU A 163
PHE A 166
LYS A 167
ILE A 204
 FAD  A 300 ( 4.9A)
DIO  A 304 ( 4.5A)
None
DIO  A 304 ( 4.6A)
None
 1.25A 1rh3A-1v93A:
undetectable		 1rh3A-1v93A:
18.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		8 ILE A   5
ASP A  27
LEU A  28
PHE A  31
LYS A  32
ILE A  50
LEU A  54
ARG A  57
 None
None
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.1A)
SO4  A3484 (-3.1A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
 0.64A 1rh3A-1zdrA:
25.1		 1rh3A-1zdrA:
40.49
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.
2aj3 FAB M18, HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU B  18
ILE B  48
ARG B  38
LEU B  63
ARG B  66
 None
 1.26A 1rh3A-2aj3B:
undetectable		 1rh3A-2aj3B:
17.90
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ASP A  53
PHE A  57
SER A 117
LEU A 128
ARG A 131
 CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
 0.87A 1rh3A-2blbA:
20.2		 1rh3A-2blbA:
25.00
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ASP A  53
PHE A  57
SER A 120
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.43A 1rh3A-2blbA:
20.2		 1rh3A-2blbA:
25.00
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ILE A  13
ASP A  53
SER A 120
ILE A 121
LEU A 128
ARG A 131
TYR A 179
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
None
 0.76A 1rh3A-2blbA:
20.2		 1rh3A-2blbA:
25.00
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  48
PHE A  52
SER A  83
LEU A  91
ARG A  94
TYR A 160
 None
None
NAP  A 523 ( 4.4A)
None
None
None
 0.57A 1rh3A-2h2qA:
19.7		 1rh3A-2h2qA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 PHE A  52
SER A  83
ILE A  84
LEU A  91
ARG A  94
TYR A 160
 None
NAP  A 523 ( 4.4A)
None
None
None
None
 0.72A 1rh3A-2h2qA:
19.7		 1rh3A-2h2qA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hv2 HYPOTHETICAL PROTEIN

(Enterococcus
faecalis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ILE A 285
LEU A 386
PHE A 357
ILE A 323
LEU A 307
 None
 1.22A 1rh3A-2hv2A:
undetectable		 1rh3A-2hv2A:
17.85
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ASP A  32
LEU A  33
PHE A  36
SER A  61
ILE A  62
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.0A)
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
 0.60A 1rh3A-2oipA:
21.3		 1rh3A-2oipA:
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.
2py6 METHYLTRANSFERASE
FKBM

(Methylobacillus
flagellatus) 		PF05050
(Methyltransf_21) 		5 ASP A 377
LEU A 376
ILE A 166
LEU A 193
TYR A 157
 None
 1.14A 1rh3A-2py6A:
undetectable		 1rh3A-2py6A:
17.40
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) 		7 LEU A  29
LYS A  33
ILE A  51
ARG A  53
LEU A  55
ARG A  58
TYR A 102
 MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 3.5A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
None
 0.60A 1rh3A-2qk8A:
25.1		 1rh3A-2qk8A:
40.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r51 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 26B

(Mus musculus) 		PF03643
(Vps26) 		5 ILE A  14
LEU A  93
SER A 135
ILE A 134
LEU A  52
 None
 1.32A 1rh3A-2r51A:
undetectable		 1rh3A-2r51A:
18.92
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.
2vob TRYPANOTHIONE
SYNTHETASE

(Leishmania
major) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		5 ILE A 515
SER A 317
ILE A 314
ARG A 315
LEU A 301
 None
 1.32A 1rh3A-2vobA:
undetectable		 1rh3A-2vobA:
13.65
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 ASP A  31
LEU A  32
PHE A  35
SER A  53
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 (-3.9A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 0.69A 1rh3A-2w3wA:
24.2		 1rh3A-2w3wA:
34.50
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 PHE A  35
LYS A  36
SER A  53
LEU A  61
ARG A  64
TYR A 108
 VG9  A1168 (-3.9A)
VG9  A1168 ( 4.9A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
None
 1.18A 1rh3A-2w3wA:
24.2		 1rh3A-2w3wA:
34.50
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) 		6 ILE A   5
ASP A  27
LEU A  28
LYS A  32
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
None
None
 0.71A 1rh3A-2w9sA:
25.6		 1rh3A-2w9sA:
38.51
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
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
TYR A  98
 TOP  A1160 (-4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
None
 0.60A 1rh3A-2w9sA:
25.6		 1rh3A-2w9sA:
38.51
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.
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
 1.25A 1rh3A-2x0sA:
undetectable		 1rh3A-2x0sA:
9.78
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.
2z66 VARIABLE LYMPHOCYTE
RECEPTOR B,
TOLL-LIKE RECEPTOR 4

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 ILE A 491
LEU A 473
PHE A 467
SER A 455
ILE A 454
 None
 1.34A 1rh3A-2z66A:
undetectable		 1rh3A-2z66A:
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.
3b2d CD180 ANTIGEN

(Homo sapiens) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 ILE A 238
PHE A 239
SER A 264
ILE A 263
LEU A 281
 None
 1.31A 1rh3A-3b2dA:
undetectable		 1rh3A-3b2dA:
11.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cx6 GUANINE
NUCLEOTIDE-BINDING
PROTEIN ALPHA-13
SUBUNIT

(Mus musculus) 		PF00503
(G-alpha) 		5 ILE A 355
LEU A 246
PHE A  64
SER A 242
ILE A  51
 None
 1.26A 1rh3A-3cx6A:
undetectable		 1rh3A-3cx6A:
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ASP A  26
LEU A  27
PHE A  30
SER A  48
LEU A  54
ARG A  57
 MTX  A 164 ( 2.9A)
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)
 0.67A 1rh3A-3dfrA:
24.1		 1rh3A-3dfrA:
29.27
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ILE A  14
ASP A  54
PHE A  58
SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.68A 1rh3A-3dg8A:
20.5		 1rh3A-3dg8A:
22.70
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.
3e1k GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Kluyveromyces
lactis) 		PF01408
(GFO_IDH_MocA) 		5 ILE A 230
PHE A 227
SER A 176
ILE A 177
LEU A 219
 None
 1.03A 1rh3A-3e1kA:
undetectable		 1rh3A-3e1kA:
15.80
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.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		5 ILE A 100
ASP A  40
LEU A  43
ILE A 129
LEU A  96
 None
 1.22A 1rh3A-3f6mA:
undetectable		 1rh3A-3f6mA:
21.13
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		5 ILE A 310
ASP A 306
LEU A  38
PHE A 305
LEU A 320
 None
 1.25A 1rh3A-3fdgA:
undetectable		 1rh3A-3fdgA:
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.
3fk5 3-OXOACYL-SYNTHASE
III

(Xanthomonas
oryzae) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A  54
SER A  22
ILE A  25
ARG A  28
LEU A 161
 None
 1.14A 1rh3A-3fk5A:
undetectable		 1rh3A-3fk5A:
18.69
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.
3hpd HYDROXYETHYLTHIAZOLE
KINASE

(Pyrococcus
horikoshii) 		PF02110
(HK) 		5 ILE A  64
LEU A 107
SER A 125
ILE A 124
LEU A 117
 None
 0.88A 1rh3A-3hpdA:
undetectable		 1rh3A-3hpdA:
21.45
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) 		7 ASP X  27
LEU X  28
LYS X  32
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.6A)
None
None
None
 0.76A 1rh3A-3i8aX:
25.7		 1rh3A-3i8aX:
37.50
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 LYS X  32
SER X  49
ILE X  50
LEU X  54
ARG X  57
TYR X  98
 None
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
None
 0.86A 1rh3A-3i8aX:
25.7		 1rh3A-3i8aX:
37.50
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) 		5 PHE X  92
SER X  49
ILE X  50
LEU X  54
ARG X  57
 N22  X 219 ( 3.7A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
 1.19A 1rh3A-3i8aX:
25.7		 1rh3A-3i8aX:
37.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		11 ILE A   6
MET A  21
LEU A  29
PHE A  32
LYS A  33
SER A  50
ILE A  51
ARG A  53
LEU A  55
ARG A  58
TYR A 102
 MTX  A 164 (-4.0A)
MTX  A 164 (-3.3A)
MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.2A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 (-3.8A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
None
 0.57A 1rh3A-3ia4A:
28.0		 1rh3A-3ia4A:
55.83
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
LEU A  31
PHE A  34
LYS A  35
LEU A  58
ARG A  61
 MTX  A 200 (-4.1A)
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)
 0.58A 1rh3A-3ix9A:
24.9		 1rh3A-3ix9A:
35.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jaf GLYCINE RECEPTOR
SUBUNIT ALPHAZ1

(Danio rerio) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		5 ILE A 169
LEU A 211
ILE A  59
LEU A 172
TYR A  74
 None
 1.31A 1rh3A-3jafA:
undetectable		 1rh3A-3jafA:
15.91
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  37
SER A  72
ILE A  73
LEU A  80
ARG A  83
TYR A 129
 None
NAP  A 512 ( 4.2A)
None
None
None
None
 0.77A 1rh3A-3kjrA:
21.0		 1rh3A-3kjrA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lke ENOYL-COA HYDRATASE

(Bacillus
halodurans) 		PF00378
(ECH_1) 		5 ASP A  80
LEU A  83
SER A 144
ILE A 143
LEU A 251
 None
 1.01A 1rh3A-3lkeA:
undetectable		 1rh3A-3lkeA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.17A 1rh3A-3nawA:
undetectable		 1rh3A-3nawA:
13.52
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 ILE B 541
MET B 412
LEU B 572
PHE B 542
ILE B 405
 None
 1.22A 1rh3A-3p8cB:
undetectable		 1rh3A-3p8cB:
9.16
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 ASP A  54
PHE A  58
SER A  89
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 4.2A)
None
None
None
 0.55A 1rh3A-3rg9A:
19.5		 1rh3A-3rg9A:
27.92
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.
3rj9 ALCOHOL
DEHYDROGENASE

(Scaptodrosophila
lebanonensis) 		PF00106
(adh_short) 		5 LEU A 188
PHE A 192
SER A 152
ILE A 145
LEU A 206
 NAD  A 850 (-3.4A)
None
None
None
None
 1.27A 1rh3A-3rj9A:
undetectable		 1rh3A-3rj9A:
22.76
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.
3rva ORGANOPHOSPHORUS
ACID ANHYDROLASE

(Alteromonas
macleodii) 		PF00557
(Peptidase_M24) 		5 ILE A 328
LEU A 387
PHE A 332
ILE A 411
LEU A 394
 None
 1.15A 1rh3A-3rvaA:
undetectable		 1rh3A-3rvaA:
19.24
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		5 LEU A 108
PHE A 107
SER A  52
ILE A  80
LEU A  69
 None
 1.31A 1rh3A-3thcA:
undetectable		 1rh3A-3thcA:
13.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ILE A   6
ASP A  28
LEU A  29
PHE A  32
LYS A  33
SER A  50
ILE A  51
LEU A  55
ARG A  58
 MTX  A2001 (-4.0A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
MTX  A2001 (-4.3A)
None
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 0.51A 1rh3A-3tq9A:
25.2		 1rh3A-3tq9A:
43.98
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 ILE A  94
LYS A  33
ILE A  51
LEU A  55
ARG A  58
 None
None
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
 1.17A 1rh3A-3tq9A:
25.2		 1rh3A-3tq9A:
43.98
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.
3u4y UNCHARACTERIZED
PROTEIN

(Desulfotomaculum
acetoxidans) 		PF10282
(Lactonase) 		5 ILE A 142
ASP A 163
LYS A 154
ILE A 208
LEU A 139
 None
 1.30A 1rh3A-3u4yA:
undetectable		 1rh3A-3u4yA:
17.18
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ILE A  14
ASP A  54
PHE A  58
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
1CY  A 609 ( 4.4A)
None
None
None
 0.55A 1rh3A-3um6A:
20.6		 1rh3A-3um6A:
13.05
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 SER A 111
ILE A 112
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
None
 0.86A 1rh3A-3um6A:
20.6		 1rh3A-3um6A:
13.05
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 ASP A  28
PHE A  32
LYS A  33
SER A  56
ILE A  57
LEU A  64
ARG A  67
TYR A 117
 None
 0.76A 1rh3A-3vcoA:
18.4		 1rh3A-3vcoA:
29.35
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.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		5 ILE A 296
LEU A 301
PHE A 302
ILE A 400
LEU A 392
 None
 1.22A 1rh3A-4d7sA:
undetectable		 1rh3A-4d7sA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fs7 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF13306
(LRR_5) 		5 ILE A 164
MET A 193
LEU A 200
ILE A 210
LEU A 207
 None
 1.20A 1rh3A-4fs7A:
undetectable		 1rh3A-4fs7A:
16.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ILE X  10
PHE X  36
SER X  64
ILE X  65
LEU X  72
ARG X  75
TYR X 129
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
None
 0.74A 1rh3A-4g8zX:
20.3		 1rh3A-4g8zX:
30.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
MET A  25
PHE A  36
LYS A  37
SER A  61
ILE A  62
LEU A  69
TYR A 118
 14Q  A 202 (-4.3A)
NDP  A 201 (-3.9A)
14Q  A 202 (-4.0A)
None
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
 0.79A 1rh3A-4h96A:
18.1		 1rh3A-4h96A:
32.31
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) 		8 ILE A   9
MET A  25
PHE A  36
SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 118
 14Q  A 202 (-4.3A)
NDP  A 201 (-3.9A)
14Q  A 202 (-4.0A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
None
 0.62A 1rh3A-4h96A:
18.1		 1rh3A-4h96A:
32.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ILE A   9
PHE A  36
SER A  61
ILE A  62
LEU A  69
ARG A  72
TYR A 127
 14Q  A 302 (-4.1A)
14Q  A 302 (-3.8A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
None
None
 0.55A 1rh3A-4h98A:
18.9		 1rh3A-4h98A:
27.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hei RIBOSOME HIBERNATION
PROTEIN YHBH

(Vibrio cholerae) 		PF02482
(Ribosomal_S30AE) 		5 ILE A   3
LEU A  27
PHE A  24
LYS A  23
LEU A  77
 None
 1.04A 1rh3A-4heiA:
undetectable		 1rh3A-4heiA:
19.38
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.
4hfv UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		PF16848
(SoDot-IcmSS) 		5 ILE A  87
PHE A 101
SER A  14
ILE A  15
LEU A  55
 None
 1.31A 1rh3A-4hfvA:
undetectable		 1rh3A-4hfvA:
20.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
ASP A  27
PHE A  31
SER A  49
LEU A  57
ARG A  60
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.6A)
None
None
None
 0.46A 1rh3A-4m2xA:
22.7		 1rh3A-4m2xA:
35.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ASP A  27
LEU A  28
PHE A  31
LEU A  55
ARG A  58
 RAR  A 200 (-4.0A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
 0.65A 1rh3A-4m7vA:
24.2		 1rh3A-4m7vA:
37.71
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.
4mdv ANNEXIN

(Schistosoma
mansoni) 		PF00191
(Annexin) 		5 MET A 121
LEU A 166
ILE A 134
LEU A 138
TYR A 178
 None
 1.22A 1rh3A-4mdvA:
undetectable		 1rh3A-4mdvA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4noi DNA-DIRECTED RNA
POLYMERASE SUBUNIT
ALPHA

(Campylobacter
jejuni) 		PF01000
(RNA_pol_A_bac)
PF01193
(RNA_pol_L) 		5 ILE A  59
MET A  74
PHE A 141
ILE A 111
LEU A 116
 None
 1.27A 1rh3A-4noiA:
undetectable		 1rh3A-4noiA:
17.36
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) 		9 ILE A   5
MET A  20
ASP A  27
PHE A  31
LYS A  32
SER A  49
ILE A  50
ARG A  57
TYR A 100
 MTX  A 201 (-4.1A)
MTX  A 201 ( 3.6A)
MTX  A 201 (-3.0A)
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
 0.48A 1rh3A-4p68A:
29.8		 1rh3A-4p68A:
97.48
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.
4pzl ADENYLATE KINASE

(Francisella
tularensis) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 ILE A  26
LEU A   5
SER A 208
ILE A 211
LEU A 215
 None
 1.34A 1rh3A-4pzlA:
undetectable		 1rh3A-4pzlA:
21.69
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.
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
 1.33A 1rh3A-4r7uA:
undetectable		 1rh3A-4r7uA:
16.95
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.
4uqw PROTEIN CLPV1

(Pseudomonas
aeruginosa) 		PF02861
(Clp_N) 		5 ILE A  45
LEU A 131
SER A  60
ILE A  62
LEU A  67
 None
 1.24A 1rh3A-4uqwA:
undetectable		 1rh3A-4uqwA:
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.
5a7y TRNA
(ADENINE(9)-N1)-METH
YLTRANSFERASE

(Sulfolobus
acidocaldarius) 		no annotation 5 ILE A  82
LEU A  42
SER A  17
ILE A  58
LEU A  28
 None
 1.23A 1rh3A-5a7yA:
undetectable		 1rh3A-5a7yA:
18.15
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.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ILE A1357
LEU A1464
PHE A1473
ILE A1362
LEU A1381
 None
 1.34A 1rh3A-5dotA:
2.5		 1rh3A-5dotA:
8.25
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
LEU A  45
PHE A  48
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 None
PEG  A 202 (-4.2A)
PEG  A 202 ( 3.7A)
PEG  A 202 ( 4.9A)
None
None
None
 0.84A 1rh3A-5dxvA:
17.0		 1rh3A-5dxvA:
69.66
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
PHE A  48
SER A  66
ILE A  67
LEU A  71
ARG A  74
TYR A 117
 None
PEG  A 202 ( 3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
None
 0.48A 1rh3A-5dxvA:
17.0		 1rh3A-5dxvA:
69.66
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 ILE A   6
SER A  50
ILE A  51
LEU A  55
TYR A 101
 None
 0.68A 1rh3A-5fdaA:
19.6		 1rh3A-5fdaA:
80.00
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 ILE A   6
SER A  50
LEU A  55
ARG A  58
TYR A 101
 None
 1.26A 1rh3A-5fdaA:
19.6		 1rh3A-5fdaA:
80.00
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 ILE A 359
LEU A 413
PHE A 387
ILE A 406
LEU A 401
 None
 1.18A 1rh3A-5hdhA:
undetectable		 1rh3A-5hdhA:
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 ILE A1664
PHE A1627
LYS A1626
SER A1560
ILE A1557
 None
 1.28A 1rh3A-5i6hA:
undetectable		 1rh3A-5i6hA:
7.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jr4 TYPE 1 FIMBIRAL
ADHESIN FIMH

(Escherichia
coli) 		PF00419
(Fimbrial)
PF09160
(FimH_man-bind) 		5 ILE A 231
ASP A 203
SER A 270
ILE A 272
LEU A 197
 None
 1.24A 1rh3A-5jr4A:
undetectable		 1rh3A-5jr4A:
18.02
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.
5kc8 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ILE A 204
LEU A 232
PHE A 242
ILE A 169
LEU A 227
 None
 1.29A 1rh3A-5kc8A:
2.5		 1rh3A-5kc8A:
16.62
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 5 LEU A  17
LYS A  15
ILE A 779
LEU A 877
TYR A 595
 None
G  B   0 ( 2.8A)
None
None
None
 1.32A 1rh3A-5kk5A:
undetectable		 1rh3A-5kk5A:
7.66
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.
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
 1.20A 1rh3A-5ogeA:
undetectable		 1rh3A-5ogeA:
17.35
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ASP A  31
PHE A  35
SER A  86
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.8A)
None
None
None
 0.53A 1rh3A-5t0lA:
20.9		 1rh3A-5t0lA:
13.77
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.
5t67 SUGAR 3-C-METHYL
TRANSFERASE

(Actinomadura
kijaniata) 		PF08421
(Methyltransf_13)
PF08484
(Methyltransf_14)
PF13489
(Methyltransf_23) 		5 MET A 179
LEU A 262
PHE A 243
ILE A 173
LEU A 196
 None
 1.16A 1rh3A-5t67A:
2.5		 1rh3A-5t67A:
18.45
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.
5ufs ANCESTRAL
GLUCOCORTICOID
RECEPTOR2

(unidentified) 		PF00104
(Hormone_recep) 		5 ILE A 158
LEU A 149
PHE A 155
SER A  68
LEU A 241
 None
 1.16A 1rh3A-5ufsA:
undetectable		 1rh3A-5ufsA:
21.77
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM

(Bacillus
subtilis) 		no annotation 5 ILE A  58
MET A  43
ILE A  70
LEU A 103
ARG A 106
 None
 1.34A 1rh3A-5zw4A:
2.3		 1rh3A-5zw4A:
22.58
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ILE A   6
ASP A  28
LEU A  29
PHE A  32
LEU A  58
ARG A  61
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.7A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
 0.88A 1rh3A-6cxmA:
21.4		 1rh3A-6cxmA:
30.00
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 8 ILE A   6
ASP A  28
PHE A  32
LYS A  33
SER A  50
LEU A  58
ARG A  61
TYR A  98
 MMV  A 202 (-4.0A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 ( 4.6A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
None
 0.57A 1rh3A-6cxmA:
21.4		 1rh3A-6cxmA:
30.00
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.
6e4e -

(-) 		no annotation 5 ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
 MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
 0.54A 1rh3A-6e4eA:
25.6		 1rh3A-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.
6fnw VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 5 ILE A 610
LEU A 661
PHE A 635
ILE A 629
LEU A 646
 None
 1.32A 1rh3A-6fnwA:
undetectable		 1rh3A-6fnwA:
18.75