SIMILAR PATTERNS OF AMINO ACIDS FOR 3CL9_A_MTXA602

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
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermotoga
maritima) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 VAL A 345
ARG A  72
ILE A 152
THR A 188
 None
 0.99A 3cl9A-1b3bA:
0.0		 3cl9A-1b3bA:
20.26
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		4 VAL A   6
ARG A  32
ILE A  51
THR A 121
 None
 0.77A 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.
1e6v METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 VAL C 116
ARG C 107
ILE C 146
THR B 265
 None
 1.24A 3cl9A-1e6vC:
undetectable		 3cl9A-1e6vC:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6w SHORT CHAIN
3-HYDROXYACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00106
(adh_short) 		4 VAL A  14
ARG A 130
ILE A 191
THR A  16
 None
 1.41A 3cl9A-1e6wA:
1.4		 3cl9A-1e6wA:
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.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE

(Pagrus major) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 VAL A 155
ARG A  36
ILE A  33
THR A 290
 None
 1.25A 3cl9A-1g0dA:
undetectable		 3cl9A-1g0dA:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		4 VAL A 341
ARG A 402
ILE A 266
THR A 339
 None
 1.02A 3cl9A-1g38A:
0.8		 3cl9A-1g38A:
21.50
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.
1hsk UDP-N-ACETYLENOLPYRU
VOYLGLUCOSAMINE
REDUCTASE

(Staphylococcus
aureus) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		4 VAL A 265
ARG A 307
ILE A 252
THR A  43
 None
 1.18A 3cl9A-1hskA:
undetectable		 3cl9A-1hskA:
21.40
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.
1hzv NITRITE REDUCTASE

(Pseudomonas
aeruginosa) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		4 VAL A 296
ARG A 225
ILE A 202
THR A 266
 None
DHE  A 602 (-3.5A)
None
None
 1.24A 3cl9A-1hzvA:
undetectable		 3cl9A-1hzvA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1is1 RIBOSOME RECYCLING
FACTOR

(Vibrio
parahaemolyticus) 		PF01765
(RRF) 		4 VAL A  27
ARG A 118
ILE A 171
THR A  29
 None
 1.37A 3cl9A-1is1A:
undetectable		 3cl9A-1is1A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jcf ROD
SHAPE-DETERMINING
PROTEIN MREB

(Thermotoga
maritima) 		PF06723
(MreB_Mbl) 		4 VAL A 161
ARG A 262
ILE A 303
THR A 159
 None
 1.30A 3cl9A-1jcfA:
undetectable		 3cl9A-1jcfA:
22.49
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.
1lth L-LACTATE
DEHYDROGENASE (T-
AND R- STATE
TETRAMER COMPLEX)

(Bifidobacterium
longum) 		no annotation 4 VAL T 172
ARG T 156
ILE T 176
THR T 165
 None
 1.38A 3cl9A-1lthT:
undetectable		 3cl9A-1lthT:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pl8 HUMAN SORBITOL
DEHYDROGENASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A 175
ARG A 166
ILE A 183
THR A 263
 None
None
NAD  A 400 (-3.8A)
None
 0.97A 3cl9A-1pl8A:
2.4		 3cl9A-1pl8A:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pvd PYRUVATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 VAL A 384
ARG A 534
ILE A 538
THR A 422
 None
 1.43A 3cl9A-1pvdA:
undetectable		 3cl9A-1pvdA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP3)

(Rhinovirus A) 		PF00073
(Rhv) 		4 VAL 3  49
ARG 1 252
ILE 1  67
THR 3  51
 None
 1.28A 3cl9A-1r1a3:
undetectable		 3cl9A-1r1a3:
17.84
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 VAL A 372
ARG A 248
ILE A 401
THR A 367
 None
 1.05A 3cl9A-1ry2A:
undetectable		 3cl9A-1ry2A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryl HYPOTHETICAL PROTEIN
YFBM

(Escherichia
coli) 		PF08974
(DUF1877) 		4 VAL A  71
ARG A  45
ILE A 122
THR A 163
 None
 1.21A 3cl9A-1rylA:
undetectable		 3cl9A-1rylA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v30 HYPOTHETICAL UPF0131
PROTEIN PH0828

(Pyrococcus
horikoshii) 		PF06094
(GGACT) 		4 VAL A  86
ARG A  17
ILE A  72
THR A  88
 None
 1.26A 3cl9A-1v30A:
undetectable		 3cl9A-1v30A:
12.67
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 VAL A 907
ARG A 918
ILE A 932
THR A 938
 None
 1.42A 3cl9A-1vrqA:
undetectable		 3cl9A-1vrqA:
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.
1xat XENOBIOTIC
ACETYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep) 		4 VAL A 129
ARG A  45
ILE A  65
THR A 144
 None
 1.41A 3cl9A-1xatA:
undetectable		 3cl9A-1xatA:
17.28
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.
1ybe NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Agrobacterium
tumefaciens) 		PF04095
(NAPRTase) 		4 VAL A 216
ARG A  29
ILE A  32
THR A 374
 None
 1.30A 3cl9A-1ybeA:
undetectable		 3cl9A-1ybeA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yco BRANCHED-CHAIN
PHOSPHOTRANSACYLASE

(Enterococcus
faecalis) 		PF01515
(PTA_PTB) 		4 VAL A 251
ARG A 267
ILE A   2
THR A 253
 None
 1.36A 3cl9A-1ycoA:
undetectable		 3cl9A-1ycoA:
17.45
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		4 VAL A 343
ARG A 334
ILE A 327
THR A 316
 None
None
ATP  A1001 (-4.1A)
None
 1.25A 3cl9A-1z7eA:
undetectable		 3cl9A-1z7eA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a5v CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE)
(CARBONIC
DEHYDRATASE)

(Mycobacterium
tuberculosis) 		PF00484
(Pro_CA) 		4 VAL A  72
ARG A 167
ILE A 182
THR A  74
 None
 1.27A 3cl9A-2a5vA:
undetectable		 3cl9A-2a5vA:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b6o LENS FIBER MAJOR
INTRINSIC PROTEIN

(Ovis aries) 		PF00230
(MIP) 		4 VAL A 103
ARG A 187
ILE A 193
THR A 108
 MC3  A 265 (-4.1A)
None
MC3  A 270 (-4.0A)
None
 1.25A 3cl9A-2b6oA:
undetectable		 3cl9A-2b6oA:
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.
2bhm TYPE IV SECRETION
SYSTEM PROTEIN VIRB8

(Brucella suis) 		PF04335
(VirB8) 		4 VAL A 163
ARG A 114
ILE A 199
THR A 161
 None
 1.29A 3cl9A-2bhmA:
undetectable		 3cl9A-2bhmA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		4 VAL A 498
ARG A 517
ILE A 536
THR A 639
 None
 1.42A 3cl9A-2c79A:
undetectable		 3cl9A-2c79A:
18.16
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 VAL A 867
ARG A 837
ILE A 850
THR A 885
 None
 1.22A 3cl9A-2eaeA:
undetectable		 3cl9A-2eaeA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g85 CHORISMATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF01264
(Chorismate_synt) 		4 VAL A 352
ARG A 139
ILE A 317
THR A 356
 None
 1.05A 3cl9A-2g85A:
undetectable		 3cl9A-2g85A:
23.28
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.
2gno DNA POLYMERASE III,
GAMMA
SUBUNIT-RELATED
PROTEIN

(Thermotoga
maritima) 		PF13177
(DNA_pol3_delta2) 		4 VAL A 239
ARG A 302
ILE A 259
THR A 199
 None
 1.11A 3cl9A-2gnoA:
undetectable		 3cl9A-2gnoA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 VAL A 127
ARG A  47
ILE A 101
THR A  27
 None
 1.39A 3cl9A-2gskA:
undetectable		 3cl9A-2gskA:
20.73
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) 		4 VAL A  26
ARG A  53
ILE A  84
THR A 178
 None
 0.29A 3cl9A-2h2qA:
51.1		 3cl9A-2h2qA:
100.00
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.
2hsj PUTATIVE PLATELET
ACTIVATING FACTOR

(Streptococcus
pneumoniae) 		PF13472
(Lipase_GDSL_2) 		4 VAL A 115
ARG A  60
ILE A  90
THR A 122
 None
None
None
GOL  A1409 (-3.8A)
 0.99A 3cl9A-2hsjA:
undetectable		 3cl9A-2hsjA:
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.
2in2 PICORNAIN 3C

(Rhinovirus B) 		PF00548
(Peptidase_C3) 		4 VAL A 161
ARG A 133
ILE A 124
THR A  39
 None
 0.83A 3cl9A-2in2A:
undetectable		 3cl9A-2in2A:
16.96
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.
2j7m HYALURONIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		4 VAL A 765
ARG A 740
ILE A 698
THR A 628
 None
 1.19A 3cl9A-2j7mA:
undetectable		 3cl9A-2j7mA:
13.53
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.
2jah CLAVULANIC ACID
DEHYDROGENASE

(Streptomyces
clavuligerus) 		PF00106
(adh_short) 		4 VAL A  89
ARG A 225
ILE A 241
THR A 136
 None
 1.08A 3cl9A-2jahA:
1.7		 3cl9A-2jahA:
17.38
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.
2poi BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF00653
(BIR) 		4 VAL A  61
ARG A  49
ILE A  93
THR A  32
 None
 1.19A 3cl9A-2poiA:
undetectable		 3cl9A-2poiA:
9.04
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.
2q3z TRANSGLUTAMINASE 2

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		4 VAL A 160
ARG A  35
ILE A 136
THR A 295
 None
 1.26A 3cl9A-2q3zA:
undetectable		 3cl9A-2q3zA:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 4 VAL A 261
ARG A 272
ILE A 378
THR A 288
 None
 1.38A 3cl9A-2q9uA:
undetectable		 3cl9A-2q9uA:
21.85
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.
2uyo HYPOTHETICAL PROTEIN
ML2640

(Mycobacterium
leprae) 		PF04072
(LCM) 		4 VAL A 107
ARG A 171
ILE A 160
THR A 127
 None
 1.16A 3cl9A-2uyoA:
undetectable		 3cl9A-2uyoA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vbf BRANCHED-CHAIN
ALPHA-KETOACID
DECARBOXYLASE

(Lactococcus
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 VAL A 160
ARG A  11
ILE A  17
THR A 135
 VAL  A 160 ( 0.6A)
ARG  A  11 ( 0.6A)
ILE  A  17 ( 0.7A)
THR  A 135 ( 0.8A)
 1.29A 3cl9A-2vbfA:
undetectable		 3cl9A-2vbfA:
22.26
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.
2vnu EXOSOME COMPLEX
EXONUCLEASE RRP44

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		4 VAL D 568
ARG D 688
ILE D 636
THR D 843
 None
None
None
A  B  -2 ( 3.2A)
 1.28A 3cl9A-2vnuD:
undetectable		 3cl9A-2vnuD:
21.42
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.
2vnu EXOSOME COMPLEX
EXONUCLEASE RRP44

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		4 VAL D 577
ARG D 590
ILE D 884
THR D 581
 None
 1.33A 3cl9A-2vnuD:
undetectable		 3cl9A-2vnuD:
21.42
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.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		4 VAL J 577
ARG J 590
ILE J 884
THR J 581
 None
 1.32A 3cl9A-2wp8J:
2.2		 3cl9A-2wp8J:
19.80
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.
3dh4 SODIUM/GLUCOSE
COTRANSPORTER

(Vibrio
parahaemolyticus) 		PF00474
(SSF) 		4 VAL A 460
ARG A 121
ILE A 114
THR A 490
 None
 1.41A 3cl9A-3dh4A:
undetectable		 3cl9A-3dh4A:
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.
3e53 FATTY-ACID-COA
LIGASE FADD28

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding) 		4 VAL A 240
ARG A 288
ILE A 293
THR A 242
 None
 1.06A 3cl9A-3e53A:
0.7		 3cl9A-3e53A:
21.62
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.
3ei8 LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00155
(Aminotran_1_2) 		4 VAL A  58
ARG A  45
ILE A  63
THR A 385
 None
 0.79A 3cl9A-3ei8A:
undetectable		 3cl9A-3ei8A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3et6 SOLUBLE GUANYLYL
CYCLASE BETA

(Chlamydomonas
reinhardtii) 		PF00211
(Guanylate_cyc) 		4 VAL A 531
ARG A 552
ILE A 570
THR A 477
 None
 1.24A 3cl9A-3et6A:
undetectable		 3cl9A-3et6A:
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.
3g7t ENVELOPE PROTEIN

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 VAL A  31
ARG A 286
ILE A 164
THR A  33
 None
 1.36A 3cl9A-3g7tA:
undetectable		 3cl9A-3g7tA:
21.16
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.
3m1d BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00653
(BIR) 		4 VAL A  81
ARG A  69
ILE A 113
THR A  52
 None
 1.22A 3cl9A-3m1dA:
undetectable		 3cl9A-3m1dA:
9.28
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.
3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		4 VAL A  71
ARG A  45
ILE A  80
THR B 456
 None
 1.26A 3cl9A-3ml0A:
undetectable		 3cl9A-3ml0A:
15.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		4 VAL A   7
ARG A 464
ILE A  12
THR A 445
 None
 1.40A 3cl9A-3nksA:
undetectable		 3cl9A-3nksA:
23.04
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.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 VAL A 127
ARG A  29
ILE A  64
THR A 125
 None
SO4  A 435 (-4.0A)
None
None
 1.34A 3cl9A-3nwrA:
undetectable		 3cl9A-3nwrA:
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		4 VAL A  48
ARG A  35
ILE A 116
THR A  44
 None
PO4  A 766 (-4.4A)
None
None
 1.22A 3cl9A-3o8lA:
undetectable		 3cl9A-3o8lA:
21.15
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.
3p1v METALLO-ENDOPEPTIDAS
E

(Bacteroides
ovatus) 		PF09471
(Peptidase_M64)
PF16217
(M64_N) 		4 VAL A 310
ARG A 211
ILE A 420
THR A 200
 None
 1.35A 3cl9A-3p1vA:
undetectable		 3cl9A-3p1vA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		4 VAL A  47
ARG A 162
ILE A 146
THR A  57
 None
 1.38A 3cl9A-3py6A:
undetectable		 3cl9A-3py6A:
19.35
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.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 4 VAL A  15
ARG A  40
ILE A  46
THR A  30
 None
 1.35A 3cl9A-3ssmA:
2.8		 3cl9A-3ssmA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tbf GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Francisella
tularensis) 		PF01380
(SIS) 		4 VAL A 412
ARG A 444
ILE A 582
THR A 393
 None
 1.39A 3cl9A-3tbfA:
undetectable		 3cl9A-3tbfA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tl3 SHORT-CHAIN TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
ulcerans) 		PF00106
(adh_short) 		4 VAL A   9
ARG A 119
ILE A 182
THR A  11
 None
 1.33A 3cl9A-3tl3A:
undetectable		 3cl9A-3tl3A:
18.79
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 VAL A3267
ARG A3620
ILE A3238
THR A3189
 None
 0.95A 3cl9A-3vkgA:
undetectable		 3cl9A-3vkgA:
10.15
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 VAL A 587
ARG A 571
ILE A 537
THR A 584
 None
MPD  A1207 ( 4.1A)
None
None
 1.39A 3cl9A-3w5nA:
undetectable		 3cl9A-3w5nA:
19.71
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		4 VAL A  78
ARG A 102
ILE A 389
THR A  73
 None
 1.40A 3cl9A-3w6mA:
undetectable		 3cl9A-3w6mA:
19.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wv7 HMD CO-OCCURRING
PROTEIN HCGE

(Methanothermobacter
marburgensis) 		PF00899
(ThiF) 		4 VAL A 175
ARG A  27
ILE A 109
THR A 177
 None
None
ADP  A 301 (-3.8A)
None
 1.33A 3cl9A-3wv7A:
undetectable		 3cl9A-3wv7A:
18.70
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.
3wwx S12 FAMILY PEPTIDASE

(Streptomyces
sp. 82F2) 		PF00144
(Beta-lactamase) 		4 VAL A  59
ARG A  81
ILE A  87
THR A  70
 None
 1.06A 3cl9A-3wwxA:
undetectable		 3cl9A-3wwxA:
20.08
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.
4au2 SERPIN PEPTIDASE
INHIBITOR, CLADE H
(HEAT SHOCK PROTEIN
47), MEMBER 1,
(COLLAGEN BINDING
PROTEIN 1)

(Canis lupus) 		PF00079
(Serpin) 		4 VAL A 311
ARG A 405
ILE A 269
THR A 355
 None
 1.01A 3cl9A-4au2A:
undetectable		 3cl9A-4au2A:
22.36
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.
4bom ENVELOPE
GLYCOPROTEIN B

(Human
alphaherpesvirus
1) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		4 VAL A 273
ARG A 328
ILE A 198
THR A 249
 None
 1.30A 3cl9A-4bomA:
undetectable		 3cl9A-4bomA:
22.71
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.
4chh PROTEIN INTERACTING
WITH HSP90 1

(Saccharomyces
cerevisiae) 		PF08190
(PIH1) 		4 VAL A  63
ARG A 153
ILE A 134
THR A  96
 None
 1.42A 3cl9A-4chhA:
undetectable		 3cl9A-4chhA:
14.99
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.
4hu2 PROBABLE CONSERVED
LIPOPROTEIN LPPS

(Mycobacterium
tuberculosis) 		no annotation 4 VAL A 243
ARG A 173
ILE A 178
THR A 245
 None
 1.24A 3cl9A-4hu2A:
undetectable		 3cl9A-4hu2A:
17.41
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.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		4 VAL A 268
ARG A 304
ILE A 290
THR A 271
 None
 1.27A 3cl9A-4hzzA:
undetectable		 3cl9A-4hzzA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		4 VAL A 559
ARG A 637
ILE A 631
THR A 592
 None
 1.23A 3cl9A-4k0eA:
undetectable		 3cl9A-4k0eA:
19.81
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.
4oo0 MAF-LIKE PROTEIN
BCAL2394

(Burkholderia
cenocepacia) 		PF02545
(Maf) 		4 VAL A 131
ARG A 147
ILE A 196
THR A  69
 None
PO4  A 303 (-4.0A)
EDO  A 306 (-4.9A)
None
 1.33A 3cl9A-4oo0A:
undetectable		 3cl9A-4oo0A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q73 PROLINE
DEHYDROGENASE

(Bradyrhizobium
diazoefficiens) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 VAL A 403
ARG A 339
ILE A 322
THR A 399
 None
FAD  A2001 (-4.0A)
None
FAD  A2001 ( 4.6A)
 1.30A 3cl9A-4q73A:
2.5		 3cl9A-4q73A:
21.64
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.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 VAL A 459
ARG A 352
ILE A 349
THR A 456
 None
 1.09A 3cl9A-4rcnA:
undetectable		 3cl9A-4rcnA:
19.36
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.
4rm4 CYTOCHROME P450

(Bacillus
subtilis) 		PF00067
(p450) 		4 VAL A 238
ARG A  93
ILE A 210
THR A 243
 None
HEM  A 401 (-3.9A)
None
HEM  A 401 (-3.7A)
 1.39A 3cl9A-4rm4A:
undetectable		 3cl9A-4rm4A:
21.40
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.
4uv6 APICAL MEROZOITE
ANTIGEN 1

(Plasmodium
knowlesi) 		PF02430
(AMA-1) 		4 VAL A 114
ARG A 317
ILE A 135
THR A 116
 None
 1.11A 3cl9A-4uv6A:
undetectable		 3cl9A-4uv6A:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w8x CRISPR SYSTEM CMR
SUBUNIT CMR1-1

(Pyrococcus
furiosus) 		PF03787
(RAMPs) 		4 VAL A 144
ARG A 122
ILE A  74
THR A 177
 None
 1.23A 3cl9A-4w8xA:
undetectable		 3cl9A-4w8xA:
21.95
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.
4yfm BETA-LACTAMASE

(Mycobacteroides
abscessus) 		PF13354
(Beta-lactamase2) 		4 VAL A  48
ARG A 281
ILE A 248
THR A 262
 None
 1.00A 3cl9A-4yfmA:
undetectable		 3cl9A-4yfmA:
20.62
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.
4yj1 UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09818
(ABC_ATPase) 		4 VAL A 222
ARG A 102
ILE A  79
THR A 108
 None
 1.31A 3cl9A-4yj1A:
undetectable		 3cl9A-4yj1A:
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.
4zoh PUTATIVE
OXIDOREDUCTASE
MOLYBDOPTERIN-BINDIN
G SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 VAL A 487
ARG A   9
ILE A 462
THR A 439
 MCN  A 801 (-3.8A)
None
None
None
 1.23A 3cl9A-4zohA:
undetectable		 3cl9A-4zohA:
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.
5b5s ACETIC ACID

(Talaromyces
cellulolyticus) 		PF13472
(Lipase_GDSL_2) 		4 VAL A  34
ARG A  18
ILE A 125
THR A  26
 None
 1.32A 3cl9A-5b5sA:
undetectable		 3cl9A-5b5sA:
16.76
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.
5elx ATP-DEPENDENT RNA
HELICASE DBP5

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 VAL A 182
ARG A 176
ILE A 196
THR A 145
 None
None
None
M2A  A 501 (-3.5A)
 1.34A 3cl9A-5elxA:
1.7		 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.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfohalobium
retbaense) 		PF13458
(Peripla_BP_6) 		4 VAL A 238
ARG A 180
ILE A 174
THR A 261
 None
 1.27A 3cl9A-5ereA:
undetectable		 3cl9A-5ereA:
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 VAL A1546
ARG A1663
ILE A1614
THR A1769
 None
 1.39A 3cl9A-5i6gA:
undetectable		 3cl9A-5i6gA:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 VAL A1546
ARG A1663
ILE A1614
THR A1769
 None
 1.37A 3cl9A-5i6hA:
undetectable		 3cl9A-5i6hA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		4 VAL A1546
ARG A1663
ILE A1614
THR A1769
 None
 1.27A 3cl9A-5i6iA:
undetectable		 3cl9A-5i6iA:
12.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kzl HEME OXYGENASE

(Leptospira
interrogans) 		PF01126
(Heme_oxygenase) 		4 VAL A 124
ARG A 106
ILE A 201
THR A  11
 HEM  A 301 (-4.4A)
None
None
None
 1.32A 3cl9A-5kzlA:
undetectable		 3cl9A-5kzlA:
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.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		4 VAL A 104
ARG A 230
ILE A 254
THR A 106
 None
 1.28A 3cl9A-5u1wA:
undetectable		 3cl9A-5u1wA:
20.99
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.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		4 VAL A  89
ARG A  25
ILE A  51
THR A 139
 None
None
None
NAP  A 301 ( 3.8A)
 1.19A 3cl9A-5u2wA:
1.8		 3cl9A-5u2wA:
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.
5u56 MACROPHAGE GROWTH
LOCUS A
STRINGENT STARVATION
PROTEIN A

(Francisella
tularensis) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		4 VAL A  62
ARG C  88
ILE C 144
THR A  57
 None
 1.03A 3cl9A-5u56A:
undetectable		 3cl9A-5u56A:
14.62
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.
5ur2 BIFUNCTIONAL PROTEIN
PUTA

(Bdellovibrio
bacteriovorus) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		4 VAL A 632
ARG A 555
ILE A 679
THR A 711
 None
 1.26A 3cl9A-5ur2A:
3.0		 3cl9A-5ur2A:
19.47
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.
5wwl CENTROMERE PROTEIN
MIS12

(Schizosaccharomyces
pombe) 		no annotation 4 VAL M 186
ARG M 201
ILE M 151
THR M 192
 None
 1.43A 3cl9A-5wwlM:
undetectable		 3cl9A-5wwlM:
17.88
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.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 4 VAL A 416
ARG A 362
ILE A 365
THR A 407
 None
PQQ  A 701 (-2.8A)
None
None
 1.15A 3cl9A-5xm3A:
undetectable		 3cl9A-5xm3A:
10.44
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.
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) 		4 VAL B 780
ARG B 815
ILE B 755
THR B 783
 None
 1.43A 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.
5xxg -

(-) 		no annotation 4 VAL A   6
ARG A 224
ILE A 237
THR A  22
 None
 1.42A 3cl9A-5xxgA:
undetectable		 3cl9A-5xxgA:
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.
5xyi RIBOSOMAL PROTEIN
S14

(Trichomonas
vaginalis) 		PF00411
(Ribosomal_S11) 		4 VAL O  50
ARG O 125
ILE O 137
THR O  48
 None
 0.89A 3cl9A-5xyiO:
undetectable		 3cl9A-5xyiO:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yeq KETOL-ACID
REDUCTOISOMERASE
(NADP(+))

(Sulfolobus
acidocaldarius) 		no annotation 4 VAL A  94
ARG A  87
ILE A 112
THR A  67
 None
 1.35A 3cl9A-5yeqA:
undetectable		 3cl9A-5yeqA:
9.48
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.
6aoo MALATE DEHYDROGENASE

(Haemophilus
influenzae) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 VAL A 171
ARG A 205
ILE A 199
THR A 169
 None
 1.29A 3cl9A-6aooA:
undetectable		 3cl9A-6aooA:
20.23
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.
6b4h NUCLEOPORIN GLE1

(Chaetomium
thermophilum) 		no annotation 4 VAL A 468
ARG A 376
ILE A 330
THR A 464
 None
 1.03A 3cl9A-6b4hA:
undetectable		 3cl9A-6b4hA:
10.76
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.
6exv DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Sus scrofa) 		no annotation 4 VAL B 735
ARG B 770
ILE B 710
THR B 738
 None
 1.37A 3cl9A-6exvB:
undetectable		 3cl9A-6exvB:
10.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f1v CYTOPLASMIC DYNEIN 1
HEAVY CHAIN 1

(Homo sapiens) 		no annotation 4 VAL f 644
ARG f 704
ILE f 764
THR f 695
 None
 1.39A 3cl9A-6f1vf:
undetectable		 3cl9A-6f1vf:
11.04
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.
6f5d ATP SYNTHASE ALPHA
CHAIN, MITOCHONDRIAL
ATP SYNTHASE GAMMA
SUBUNIT
ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 4 VAL A 289
ARG D 279
ILE G 277
THR D 329
 None
 1.23A 3cl9A-6f5dA:
undetectable		 3cl9A-6f5dA:
10.10