SIMILAR PATTERNS OF AMINO ACIDS FOR 3CL9_A_MTXA602_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.
1b74 GLUTAMATE RACEMASE

(Aquifex
pyrophilus) 		PF01177
(Asp_Glu_race) 		5 ALA A 116
ILE A  41
PRO A 144
PHE A 142
PRO A 182
 None
 1.02A 3cl9A-1b74A:
undetectable		 3cl9A-1b74A:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c0i D-AMINO ACID OXIDASE

(Rhodotorula
toruloides) 		PF01266
(DAO) 		5 ALA A1222
ILE A1224
THR A1093
LEU A1118
PRO A1119
 None
 1.19A 3cl9A-1c0iA:
undetectable		 3cl9A-1c0iA:
20.04
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  27
THR A  47
LEU A  55
PRO A  56
ARG A  58
 None
None
SO4  A 200 (-3.7A)
None
None
None
 0.62A 3cl9A-1cz3A:
18.3		 3cl9A-1cz3A:
16.50
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
THR A  56
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 (-3.5A)
None
None
None
None
 0.51A 3cl9A-1dr6A:
21.9		 3cl9A-1dr6A:
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		6 ALA A   9
THR A  56
SER A  59
PRO A  61
LEU A  67
TYR A 121
 HBI  A 198 ( 3.6A)
NAP  A 191 (-3.5A)
NAP  A 191 ( 4.1A)
None
None
None
 0.75A 3cl9A-1dr6A:
21.9		 3cl9A-1dr6A:
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 ALA A 458
ILE A 609
PHE A 249
ARG A 398
TYR A 452
 None
 1.18A 3cl9A-1j0nA:
undetectable		 3cl9A-1j0nA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 ASP A  36
THR A  55
PRO A  60
LEU A  63
PRO A  64
ARG A  66
 None
NDP  A 194 (-3.3A)
None
None
None
None
 0.88A 3cl9A-1juvA:
13.0		 3cl9A-1juvA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q0z ACLACINOMYCIN
METHYLESTERASE

(Streptomyces
purpurascens) 		PF00561
(Abhydrolase_1) 		5 ALA A 251
ASP A 248
PRO A 279
LEU A 286
PRO A 285
 AKA  A 600 ( 3.8A)
None
None
None
None
 1.33A 3cl9A-1q0zA:
undetectable		 3cl9A-1q0zA:
19.89
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.
1q20 SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
B

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 ASP A  19
THR A 106
SER A  48
LEU A 113
PRO A 114
 None
PLO  A 401 ( 4.0A)
None
None
None
 1.29A 3cl9A-1q20A:
undetectable		 3cl9A-1q20A:
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.
1q20 SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
B

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 ILE A  77
SER A 255
PRO A  96
LEU A 260
PRO A 261
 None
 1.26A 3cl9A-1q20A:
undetectable		 3cl9A-1q20A:
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		7 ALA A   9
THR A  56
SER A  59
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 NDP  A 188 (-3.6A)
NDP  A 188 (-3.9A)
NDP  A 188 ( 3.8A)
MTX  A 187 (-4.8A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
None
 0.44A 3cl9A-1u70A:
22.1		 3cl9A-1u70A:
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		7 ALA A   9
THR A  56
SER A  59
PRO A  61
LEU A  67
ARG A  70
TYR A 121
 MXA  A 187 (-3.6A)
SO4  A 188 (-3.5A)
MXA  A 187 (-3.8A)
MXA  A 187 (-4.4A)
None
None
None
 0.68A 3cl9A-1u71A:
21.6		 3cl9A-1u71A:
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.
1ups GLCNAC-ALPHA-1,4-GAL
-RELEASING
ENDO-BETA-GALACTOSID
ASE

(Clostridium
perfringens) 		PF00722
(Glyco_hydro_16) 		5 ALA A  22
ILE A 216
ASP A 272
PHE A  34
LEU A  32
 None
None
CA  A 501 (-3.3A)
None
None
 1.33A 3cl9A-1upsA:
undetectable		 3cl9A-1upsA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE

(Thermus
thermophilus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ALA A  88
MET A 228
SER A  38
PRO A 250
TYR A 160
 None
 1.32A 3cl9A-1v26A:
undetectable		 3cl9A-1v26A:
23.40
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.
1xip NUCLEOPORIN NUP159

(Saccharomyces
cerevisiae) 		PF16755
(NUP214) 		5 ALA A 297
ILE A 367
THR A 334
LEU A  34
PRO A  35
 None
 1.33A 3cl9A-1xipA:
undetectable		 3cl9A-1xipA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
THR A  46
LEU A  54
PRO A  55
ARG A  57
 None
None
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
SO4  A3484 ( 4.4A)
SO4  A3484 (-3.3A)
 0.68A 3cl9A-1zdrA:
18.7		 3cl9A-1zdrA:
17.08
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.
2bap DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		no annotation 5 ALA B 251
ILE B 248
THR B 297
SER B 298
LEU B 341
 None
 1.31A 3cl9A-2bapB:
undetectable		 3cl9A-2bapB:
20.49
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		7 ALA A  15
ASP A  53
MET A  54
SER A 120
LEU A 128
PRO A 129
ARG A 131
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.6A)
NDP  A1239 (-3.6A)
MES  A1241 (-4.5A)
None
MES  A1241 (-2.7A)
 0.93A 3cl9A-2blbA:
10.2		 3cl9A-2blbA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		6 ALA A  15
ASP A  53
SER A 117
LEU A 128
PRO A 129
ARG A 131
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-2.9A)
MES  A1241 (-4.5A)
None
MES  A1241 (-2.7A)
 1.36A 3cl9A-2blbA:
10.2		 3cl9A-2blbA:
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ALA A  15
ASP A  53
SER A 120
PRO A 122
LEU A 128
PRO A 129
ARG A 131
TYR A 179
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
NDP  A1239 (-3.6A)
None
MES  A1241 (-4.5A)
None
MES  A1241 (-2.7A)
None
 0.80A 3cl9A-2blbA:
10.2		 3cl9A-2blbA:
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.
2bnx DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		5 ALA A 251
ILE A 248
THR A 297
SER A 298
LEU A 341
 None
 0.94A 3cl9A-2bnxA:
undetectable		 3cl9A-2bnxA:
21.43
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.
2f31 DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		5 ALA A 251
ILE A 248
THR A 297
SER A 298
LEU A 341
 None
 0.98A 3cl9A-2f31A:
undetectable		 3cl9A-2f31A:
18.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ILE A  41
ASP A  48
MET A  49
PHE A  88
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
 1.32A 3cl9A-2h2qA:
51.1		 3cl9A-2h2qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ALA A  28
ILE A  41
ASP A  48
MET A  49
SER A  83
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
NAP  A 523 ( 4.4A)
 1.16A 3cl9A-2h2qA:
51.1		 3cl9A-2h2qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
ILE A  41
ASP A  48
THR A  80
LEU A  91
PRO A  92
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.45A 3cl9A-2h2qA:
51.1		 3cl9A-2h2qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ILE A  41
ASP A  48
THR A  80
PHE A  88
LEU A  91
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
NAP  A 523 (-3.5A)
None
None
None
 0.94A 3cl9A-2h2qA:
51.1		 3cl9A-2h2qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ILE A  41
ASP A  48
THR A  80
SER A  83
PRO A  92
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
NAP  A 523 (-3.5A)
NAP  A 523 ( 4.4A)
None
None
 0.71A 3cl9A-2h2qA:
51.1		 3cl9A-2h2qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
ILE A  41
THR A  80
PRO A  85
LEU A  91
PRO A  92
ARG A  94
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
NAP  A 523 (-3.5A)
None
None
None
None
None
 0.47A 3cl9A-2h2qA:
51.1		 3cl9A-2h2qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ILE A  41
THR A  80
PRO A  85
PHE A  88
LEU A  91
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
NAP  A 523 (-3.5A)
None
None
None
None
 0.88A 3cl9A-2h2qA:
51.1		 3cl9A-2h2qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ILE A  41
THR A  80
SER A  83
PRO A  85
PRO A  92
TYR A 160
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
NAP  A 523 (-3.5A)
NAP  A 523 ( 4.4A)
None
None
None
 0.72A 3cl9A-2h2qA:
51.1		 3cl9A-2h2qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  11
ASP A  32
THR A  58
SER A  61
LEU A  67
ARG A  70
TYR A 119
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
NDP  A 606 ( 3.5A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
None
 0.71A 3cl9A-2oipA:
18.6		 3cl9A-2oipA:
42.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		5 ALA A   8
LEU A  55
PRO A  56
ARG A  58
TYR A 102
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.8A)
MTX  A 200 ( 2.8A)
None
 0.71A 3cl9A-2qk8A:
18.5		 3cl9A-2qk8A:
16.15
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.
2v25 MAJOR CELL-BINDING
FACTOR

(Campylobacter
jejuni) 		PF00497
(SBP_bac_3) 		5 ILE A 104
THR A 132
PHE A 153
PRO A 154
TYR A 198
 None
ASP  A1234 (-3.4A)
None
None
None
 1.28A 3cl9A-2v25A:
undetectable		 3cl9A-2v25A:
20.76
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.
2vl7 XPD

(Sulfurisphaera
tokodaii) 		PF06733
(DEAD_2)
PF13307
(Helicase_C_2) 		5 ALA A 315
ILE A 179
THR A  28
LEU A 333
PRO A 330
 None
 1.26A 3cl9A-2vl7A:
2.4		 3cl9A-2vl7A:
22.43
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		9 ALA A  11
ASP A  31
THR A  50
SER A  53
PRO A  55
LEU A  61
PRO A  62
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
NDP  A1169 (-3.4A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.6A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 3.7A)
None
 0.75A 3cl9A-2w3wA:
20.2		 3cl9A-2w3wA:
19.96
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		9 ALA A  11
ILE A  24
ASP A  31
THR A  50
SER A  53
LEU A  61
PRO A  62
ARG A  64
TYR A 108
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
NDP  A1169 (-3.4A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.4A)
None
VG9  A1168 ( 3.7A)
None
 0.87A 3cl9A-2w3wA:
20.2		 3cl9A-2w3wA:
19.96
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA A   7
ASP A  27
THR A  46
SER A  49
LEU A  54
PRO A  55
ARG A  57
TYR A  98
 TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
NDP  A1159 (-3.3A)
TOP  A1160 (-3.5A)
None
None
None
None
 0.53A 3cl9A-2w9sA:
19.1		 3cl9A-2w9sA:
16.02
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.
2z06 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0625

(Thermus
thermophilus) 		PF13277
(YmdB) 		5 ALA A  40
SER A  62
PRO A  85
LEU A  77
PRO A  93
 None
 1.26A 3cl9A-2z06A:
undetectable		 3cl9A-2z06A:
20.15
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
ASP A  26
THR A  45
LEU A  54
PRO A  55
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 ( 2.9A)
 0.69A 3cl9A-3dfrA:
19.4		 3cl9A-3dfrA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		6 ALA A   6
ASP A  26
THR A  45
PRO A  50
PRO A  55
ARG A  57
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.6A)
None
MTX  A 164 ( 2.9A)
 0.65A 3cl9A-3dfrA:
19.4		 3cl9A-3dfrA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
THR A  45
SER A  48
PRO A  50
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
NDP  A 163 (-3.4A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.6A)
 0.65A 3cl9A-3dfrA:
19.4		 3cl9A-3dfrA:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
ASP A  54
MET A  55
PHE A 116
LEU A 119
ARG A 122
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
None
RJ6  A 609 (-4.4A)
None
 1.28A 3cl9A-3dg8A:
10.1		 3cl9A-3dg8A:
22.34
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
ASP A  54
MET A  55
PRO A 113
LEU A 119
ARG A 122
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
None
RJ6  A 609 (-4.4A)
None
 1.04A 3cl9A-3dg8A:
10.1		 3cl9A-3dg8A:
22.34
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		6 ALA A  16
ASP A  54
PHE A 116
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
None
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.89A 3cl9A-3dg8A:
10.1		 3cl9A-3dg8A:
22.34
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ALA A  16
ASP A  54
SER A 111
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
None
RJ6  A 609 (-4.4A)
None
NDP  A 610 ( 4.9A)
 0.70A 3cl9A-3dg8A:
10.1		 3cl9A-3dg8A:
22.34
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.
3eg5 PROTEIN DIAPHANOUS
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		5 ALA B 251
ILE B 248
THR B 297
SER B 298
LEU B 341
 None
 1.04A 3cl9A-3eg5B:
undetectable		 3cl9A-3eg5B:
20.45
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		8 ALA X   7
ASP X  27
THR X  46
SER X  49
LEU X  54
PRO X  55
ARG X  57
TYR X  98
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
N22  X 219 (-3.3A)
None
None
None
None
 0.93A 3cl9A-3i8aX:
19.0		 3cl9A-3i8aX:
15.16
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ALA A   7
THR A  47
SER A  50
LEU A  55
PRO A  56
 NDP  A 163 ( 3.9A)
NDP  A 163 (-3.4A)
NDP  A 163 ( 3.8A)
MTX  A 164 ( 4.4A)
None
 1.34A 3cl9A-3ia4A:
19.3		 3cl9A-3ia4A:
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ALA A   8
THR A  47
SER A  50
LEU A  55
PRO A  56
ARG A  58
TYR A 102
 MTX  A 164 ( 3.7A)
NDP  A 163 (-3.4A)
NDP  A 163 ( 3.8A)
MTX  A 164 ( 4.4A)
None
MTX  A 164 (-2.9A)
None
 0.65A 3cl9A-3ia4A:
19.3		 3cl9A-3ia4A:
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.
3ihj ALANINE
AMINOTRANSFERASE 2

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		5 ALA A  93
ILE A 476
MET A 495
THR A 506
LEU A 419
 None
 1.30A 3cl9A-3ihjA:
2.5		 3cl9A-3ihjA:
22.69
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.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A  10
THR A  49
LEU A  58
PRO A  59
ARG A  61
 MTX  A 200 (-3.8A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.7A)
MTX  A 200 (-2.9A)
 0.74A 3cl9A-3ix9A:
18.9		 3cl9A-3ix9A:
16.40
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.
3jd5 28S RIBOSOMAL
PROTEIN S27,
MITOCHONDRIAL

(Bos taurus) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 ALA e  88
THR e 111
PRO e 139
PHE e 138
LEU e 104
 None
 1.16A 3cl9A-3jd5e:
undetectable		 3cl9A-3jd5e:
22.34
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.
3kin KINESIN HEAVY CHAIN

(Rattus
norvegicus) 		PF00225
(Kinesin) 		5 ALA A 113
ILE A 109
SER A 207
LEU A 147
ARG A 172
 None
 1.25A 3cl9A-3kinA:
undetectable		 3cl9A-3kinA:
19.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  16
ILE A  29
ASP A  37
THR A  69
SER A  72
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
NAP  A 512 (-3.6A)
NAP  A 512 ( 4.2A)
None
None
None
 0.82A 3cl9A-3kjrA:
18.1		 3cl9A-3kjrA:
39.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  16
ILE A  29
THR A  69
SER A  72
PRO A  74
LEU A  80
ARG A  83
TYR A 129
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
NAP  A 512 (-3.6A)
NAP  A 512 ( 4.2A)
None
None
None
None
 1.02A 3cl9A-3kjrA:
18.1		 3cl9A-3kjrA:
39.70
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.
3noq THIJ/PFPI FAMILY
PROTEIN

(Pseudomonas
fluorescens) 		PF01965
(DJ-1_PfpI) 		5 ALA A 207
THR A 102
SER A 101
LEU A 128
PRO A 135
 NHE  A 501 (-3.8A)
NHE  A 501 ( 2.7A)
EDO  A 604 ( 4.2A)
None
None
 1.16A 3cl9A-3noqA:
undetectable		 3cl9A-3noqA:
19.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		5 ALA A  34
ASP A  54
MET A  55
LEU A  90
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.7A)
WRA  A 602 (-4.8A)
None
 1.16A 3cl9A-3rg9A:
30.2		 3cl9A-3rg9A:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		9 ALA A  34
ILE A  47
ASP A  54
MET A  55
THR A  86
PRO A  91
LEU A  97
ARG A 100
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.7A)
NDP  A 601 ( 3.2A)
WRA  A 602 (-4.3A)
None
None
None
 0.71A 3cl9A-3rg9A:
30.2		 3cl9A-3rg9A:
60.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		8 ALA A  34
ILE A  47
ASP A  54
MET A  55
THR A  86
SER A  89
PRO A  91
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.7A)
NDP  A 601 ( 3.2A)
WRA  A 602 ( 4.2A)
WRA  A 602 (-4.3A)
None
 0.90A 3cl9A-3rg9A:
30.2		 3cl9A-3rg9A:
60.00
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.
3si9 DIHYDRODIPICOLINATE
SYNTHASE

(Bartonella
henselae) 		PF00701
(DHDPS) 		5 ALA A 196
ILE A 172
SER A 176
PHE A 186
TYR A 231
 None
 1.25A 3cl9A-3si9A:
undetectable		 3cl9A-3si9A:
21.00
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
THR A  47
SER A  50
LEU A  55
PRO A  56
ARG A  58
 MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
NDP  A1001 (-3.1A)
NDP  A1001 ( 3.0A)
MTX  A2001 ( 4.5A)
None
MTX  A2001 (-2.8A)
 0.52A 3cl9A-3tq9A:
19.1		 3cl9A-3tq9A:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ASP A  54
MET A  55
THR A 108
PHE A 116
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
NDP  A 610 ( 3.4A)
None
None
None
None
 1.03A 3cl9A-3um6A:
18.2		 3cl9A-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ASP A  54
MET A  55
THR A 108
SER A 111
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
1CY  A 609 ( 3.7A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
None
None
None
 0.80A 3cl9A-3um6A:
18.2		 3cl9A-3um6A:
37.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ASP A  54
THR A 108
SER A 111
PRO A 113
LEU A 119
ARG A 122
TYR A 170
 1CY  A 609 (-2.9A)
NDP  A 610 ( 3.4A)
1CY  A 609 ( 4.4A)
None
None
None
None
 0.75A 3cl9A-3um6A:
18.2		 3cl9A-3um6A:
37.99
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		9 ALA A   8
ASP A  28
MET A  29
THR A  53
SER A  56
PRO A  58
LEU A  64
ARG A  67
TYR A 117
 None
None
None
SO4  A 201 (-3.7A)
None
None
None
None
None
 0.84A 3cl9A-3vcoA:
20.3		 3cl9A-3vcoA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ads PYRIDOXINE
BIOSYNTHETIC ENZYME
PDX1 HOMOLOGUE,
PUTATIVE

(Plasmodium
berghei) 		PF01680
(SOR_SNZ) 		5 ALA A 214
ILE A 160
THR A 220
LEU A 267
PRO A 264
 None
 1.29A 3cl9A-4adsA:
undetectable		 3cl9A-4adsA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ag9 GLUCOSAMINE-6-PHOSPH
ATE
N-ACETYLTRANSFERASE

(Caenorhabditis
elegans) 		PF00583
(Acetyltransf_1) 		5 ALA A   7
THR A 124
PHE A  22
LEU A  18
PRO A  19
 None
 1.29A 3cl9A-4ag9A:
undetectable		 3cl9A-4ag9A:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ffc 4-AMINOBUTYRATE
AMINOTRANSFERASE
(GABT)

(Mycobacteroides
abscessus) 		PF00202
(Aminotran_3) 		5 ALA A 437
ILE A  63
SER A  61
LEU A  18
PRO A  19
 None
 1.28A 3cl9A-4ffcA:
undetectable		 3cl9A-4ffcA:
23.96
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.
4fir PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Pyrococcus
horikoshii) 		PF01680
(SOR_SNZ)
PF05690
(ThiG) 		5 ALA A 254
ILE A 163
THR A 260
LEU A 307
PRO A 304
 None
 1.27A 3cl9A-4firA:
undetectable		 3cl9A-4firA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ALA X  12
THR X  61
SER X  64
PRO X  66
LEU X  72
ARG X  75
TYR X 129
 NDP  X 302 ( 3.8A)
NDP  X 302 (-3.4A)
TOP  X 301 (-3.3A)
TOP  X 301 (-4.8A)
None
None
None
 0.55A 3cl9A-4g8zX:
21.4		 3cl9A-4g8zX:
17.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ALA A  11
THR A  58
SER A  61
PRO A  63
LEU A  69
PRO A  70
ARG A  72
TYR A 118
 14Q  A 202 ( 3.7A)
NDP  A 201 (-3.7A)
14Q  A 202 (-3.9A)
None
None
None
None
None
 0.78A 3cl9A-4h96A:
19.3		 3cl9A-4h96A:
19.85
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 THR A  58
SER A  61
PRO A  63
PHE A  66
LEU A  69
 NDP  A 201 (-3.7A)
14Q  A 202 (-3.9A)
None
None
None
 1.08A 3cl9A-4h96A:
19.3		 3cl9A-4h96A:
19.85
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ALA A  11
MET A  33
THR A  58
PRO A  63
PHE A  66
LEU A  69
PRO A  70
TYR A 127
 14Q  A 302 ( 3.4A)
14Q  A 302 (-4.0A)
NDP  A 301 (-3.5A)
14Q  A 302 (-4.4A)
14Q  A 302 (-3.7A)
None
None
None
 1.10A 3cl9A-4h98A:
19.3		 3cl9A-4h98A:
23.78
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		9 ALA A  11
THR A  58
SER A  61
PRO A  63
PHE A  66
LEU A  69
PRO A  70
ARG A  72
TYR A 127
 14Q  A 302 ( 3.4A)
NDP  A 301 (-3.5A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.4A)
14Q  A 302 (-3.7A)
None
None
None
None
 0.79A 3cl9A-4h98A:
19.3		 3cl9A-4h98A:
23.78
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		10 ALA A   7
ILE A  20
ASP A  27
THR A  46
SER A  49
PRO A  51
LEU A  57
PRO A  58
ARG A  60
TYR A 100
 TMQ  A 202 ( 3.5A)
NDP  A 201 (-4.0A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.4A)
NDP  A 201 (-3.6A)
TMQ  A 202 (-4.2A)
None
None
None
None
 0.80A 3cl9A-4m2xA:
19.2		 3cl9A-4m2xA:
20.04
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
LEU A  55
PRO A  56
ARG A  58
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 4.6A)
RAR  A 200 ( 3.2A)
 0.70A 3cl9A-4m7vA:
18.0		 3cl9A-4m7vA:
16.53
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
THR A  46
PRO A  56
ARG A  58
 RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
NAP  A 201 (-3.0A)
RAR  A 200 ( 4.6A)
RAR  A 200 ( 3.2A)
 0.66A 3cl9A-4m7vA:
18.0		 3cl9A-4m7vA:
16.53
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ALA A   7
ASP A  27
THR A  46
SER A  49
PRO A  55
ARG A  57
TYR A 100
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
NAP  A 202 (-3.2A)
MTX  A 201 ( 3.7A)
XCN  A  54 ( 2.6A)
MTX  A 201 (-3.0A)
None
 0.66A 3cl9A-4p68A:
19.7		 3cl9A-4p68A:
17.62
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.
4qhr ALANINE RACEMASE

(Acinetobacter
baumannii) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ALA A 267
ILE A 289
PHE A 236
PRO A 351
ARG A   2
 None
 1.20A 3cl9A-4qhrA:
undetectable		 3cl9A-4qhrA:
20.85
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.
4wjm RIBOKINASE:CARBOHYDR
ATE KINASE, PFKB

(Brucella
abortus) 		PF00294
(PfkB) 		5 ASP A 100
SER A  78
PHE A  57
LEU A  61
TYR A 139
 EDO  A 403 (-3.0A)
None
None
None
None
 1.15A 3cl9A-4wjmA:
undetectable		 3cl9A-4wjmA:
22.85
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 ALA A   6
THR A  63
SER A  66
PRO A  72
ARG A  74
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
 1.21A 3cl9A-5dxvA:
11.7		 3cl9A-5dxvA:
15.28
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ALA A   7
THR A  63
SER A  66
LEU A  71
PRO A  72
ARG A  74
TYR A 117
 NAP  A 201 (-3.7A)
NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
None
None
None
None
 0.66A 3cl9A-5dxvA:
11.7		 3cl9A-5dxvA:
15.28
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		6 ALA A   7
ILE A  20
THR A  46
LEU A  53
PRO A  54
TYR A 102
 5N1  A 202 ( 3.5A)
NAP  A 201 (-4.1A)
NAP  A 201 (-3.2A)
5N1  A 202 ( 4.7A)
None
None
 1.08A 3cl9A-5ecxA:
19.5		 3cl9A-5ecxA:
13.85
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		5 ALA A   7
SER A  49
PRO A  54
ARG A  56
TYR A 102
 5N1  A 202 ( 3.5A)
5N1  A 202 (-3.6A)
None
None
None
 0.96A 3cl9A-5ecxA:
19.5		 3cl9A-5ecxA:
13.85
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.
5ecx DEHYDROFOLATE
REDUCTASE TYPE I

(Klebsiella
pneumoniae) 		PF00186
(DHFR_1) 		6 ALA A   7
THR A  46
SER A  49
LEU A  53
PRO A  54
TYR A 102
 5N1  A 202 ( 3.5A)
NAP  A 201 (-3.2A)
5N1  A 202 (-3.6A)
5N1  A 202 ( 4.7A)
None
None
 1.12A 3cl9A-5ecxA:
19.5		 3cl9A-5ecxA:
13.85
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.
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ALA A 209
ILE A 196
MET A 228
PHE A 260
LEU A 261
 None
 1.31A 3cl9A-5elxA:
undetectable		 3cl9A-5elxA:
21.35
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ALA A   7
THR A  47
SER A  50
LEU A  55
PRO A  56
 None
 1.30A 3cl9A-5fdaA:
13.1		 3cl9A-5fdaA:
18.71
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ALA A   8
THR A  47
SER A  50
LEU A  55
ARG A  58
TYR A 101
 None
 1.19A 3cl9A-5fdaA:
13.1		 3cl9A-5fdaA:
18.71
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ALA A   8
THR A  47
SER A  50
LEU A  55
PRO A  56
TYR A 101
 None
 0.73A 3cl9A-5fdaA:
13.1		 3cl9A-5fdaA:
18.71
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.
5hxs SODIUM,CALCIUM
EXCHANGER

(Methanocaldococcus
jannaschii) 		PF01699
(Na_Ca_ex) 		5 ALA A 239
ILE A  55
ASP A 240
LEU A 254
PRO A 255
 None
None
SR  A 401 ( 4.7A)
None
None
 1.22A 3cl9A-5hxsA:
undetectable		 3cl9A-5hxsA:
20.42
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.
5k2z PYRIDOXAL
5'-PHOSPHATE
SYNTHASE SUBUNIT
PDX1.3

(Arabidopsis
thaliana) 		PF01680
(SOR_SNZ) 		5 ALA A 227
ILE A 173
THR A 233
LEU A 280
PRO A 277
 None
 1.28A 3cl9A-5k2zA:
undetectable		 3cl9A-5k2zA:
21.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  10
ASP A  31
THR A  83
PRO A  88
PHE A  91
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
NDP  A 702 (-3.2A)
73X  A 704 (-4.0A)
73X  A 704 ( 4.2A)
None
None
None
 0.76A 3cl9A-5t0lA:
19.1		 3cl9A-5t0lA:
44.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  10
ASP A  31
THR A  83
SER A  86
PRO A  88
LEU A  94
ARG A  97
TYR A 157
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
NDP  A 702 (-3.2A)
NDP  A 702 (-3.8A)
73X  A 704 (-4.0A)
None
None
None
 0.70A 3cl9A-5t0lA:
19.1		 3cl9A-5t0lA:
44.80
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.
5ti1 FUMARYLACETOACETATE
HYDROLASE

(Paraburkholderia
xenovorans) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		5 ALA A  62
ASP A  59
PRO A  35
LEU A  86
PRO A 137
 None
 1.33A 3cl9A-5ti1A:
undetectable		 3cl9A-5ti1A:
21.63
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.
5u89 AMINO ACID
ADENYLATION DOMAIN
PROTEIN

(Geobacillus sp.
Y4.1MC1) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF13193
(AMP-binding_C) 		5 ILE A 609
THR A 652
SER A 658
PRO A 702
TYR A 541
 None
 1.00A 3cl9A-5u89A:
undetectable		 3cl9A-5u89A:
20.68
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 ALA B 793
MET B 778
THR B 971
PRO B 974
PHE B 851
 None
 1.30A 3cl9A-5xogB:
undetectable		 3cl9A-5xogB:
17.81
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.
5znn SORTILIN

(Mus musculus) 		no annotation 5 ALA A 353
MET A 358
THR A 428
LEU A 634
ARG A 409
 NAG  A 804 ( 3.7A)
None
None
None
NAG  A 805 (-4.9A)
 1.27A 3cl9A-5znnA:
undetectable		 3cl9A-5znnA:
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ALA A   8
ILE A  21
ASP A  28
THR A  47
PRO A  52
LEU A  58
PRO A  59
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.2A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
None
 0.64A 3cl9A-6cxmA:
5.8		 3cl9A-6cxmA:
8.64
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.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ALA A   8
ILE A  21
ASP A  28
THR A  47
SER A  50
PRO A  52
PRO A  59
ARG A  61
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
NAP  A 201 (-3.3A)
NAP  A 201 ( 3.9A)
MMV  A 202 ( 4.6A)
MMV  A 202 (-4.6A)
MMV  A 202 (-2.8A)
None
 0.82A 3cl9A-6cxmA:
5.8		 3cl9A-6cxmA:
8.64
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.
6e4e -

(-) 		no annotation 7 ALA A   7
ASP A  27
THR A  46
SER A  49
LEU A  54
PRO A  55
ARG A  57
 MMV  A 202 ( 3.5A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.3A)
NAP  A 201 (-4.2A)
None
None
None
 0.77A 3cl9A-6e4eA:
18.9		 3cl9A-6e4eA:
undetectable