SIMILAR PATTERNS OF AMINO ACIDS FOR 4KM2_A_TOPA202

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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ALA A   8
ASP A  27
PHE A  31
LEU A  55
ILE A 100
THR A 121
 None
 0.65A 4km2A-1cz3A:
17.6		 4km2A-1cz3A:
28.57
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		6 ASP A  27
PHE A  31
THR A  47
LEU A  55
ILE A 100
THR A 121
 None
None
SO4  A 200 (-3.7A)
None
None
None
 0.61A 4km2A-1cz3A:
17.6		 4km2A-1cz3A:
28.57
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
PHE A  34
THR A  56
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
HBI  A 198 ( 4.5A)
 0.53A 4km2A-1dr6A:
20.1		 4km2A-1dr6A:
29.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1epv ALANINE RACEMASE

(Geobacillus
stearothermophilus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A  34
ALA A  54
ILE A  17
PHE A 220
LEU A 208
 None
 0.94A 4km2A-1epvA:
undetectable		 4km2A-1epvA:
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.
1gh6 RETINOBLASTOMA-ASSOC
IATED PROTEIN

(Homo sapiens) 		PF01857
(RB_B)
PF01858
(RB_A) 		5 ILE B 547
PHE B 535
THR B 497
LEU B 385
LEU B 452
 None
 1.07A 4km2A-1gh6B:
undetectable		 4km2A-1gh6B:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1irx LYSYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF01921
(tRNA-synt_1f) 		5 ILE A 315
ILE A  47
LEU A 118
VAL A 115
LEU A 290
 None
 1.03A 4km2A-1irxA:
undetectable		 4km2A-1irxA:
17.02
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.
1r6b CLPA PROTEIN

(Escherichia
coli) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ILE X 291
ALA X 293
PHE X 331
LEU X 211
ILE X 287
 None
 1.07A 4km2A-1r6bX:
undetectable		 4km2A-1r6bX:
13.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		7 ILE A   7
ALA A   9
PHE A  34
THR A  56
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.54A 4km2A-1u70A:
20.1		 4km2A-1u70A:
32.29
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ILE A   7
ALA A   9
PHE A  34
LEU A  67
TYR A 121
THR A 136
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.6A)
MXA  A 187 (-3.9A)
None
None
MXA  A 187 (-4.3A)
 0.41A 4km2A-1u71A:
20.0		 4km2A-1u71A:
29.81
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.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		5 ILE A   7
PHE A  34
THR A  56
LEU A  67
TYR A 121
 MXA  A 187 (-4.5A)
MXA  A 187 (-3.9A)
SO4  A 188 (-3.5A)
None
None
 0.57A 4km2A-1u71A:
20.0		 4km2A-1u71A:
29.81
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.
1wcd MAJOR STRUCTURAL
PROTEIN VP2

(Infectious
bursal disease
virus) 		PF01766
(Birna_VP2) 		5 ALA J 126
ILE J 124
PHE J  59
LEU J  47
LEU J  86
 None
 1.11A 4km2A-1wcdJ:
undetectable		 4km2A-1wcdJ:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y9i LOW TEMPERATURE
REQUIREMENT C
PROTEIN

(Listeria
monocytogenes) 		PF04608
(PgpA) 		5 ILE A 105
ALA A 152
ILE A 120
LEU A 131
ILE A 146
 None
 1.14A 4km2A-1y9iA:
undetectable		 4km2A-1y9iA:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z6x ADP-RIBOSYLATION
FACTOR 4

(Homo sapiens) 		PF00025
(Arf) 		5 ALA A  28
PHE A 124
LEU A  37
LEU A 170
ILE A  89
 GDP  A 201 (-4.1A)
None
None
None
None
 1.03A 4km2A-1z6xA:
undetectable		 4km2A-1z6xA:
22.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
None
None
 0.44A 4km2A-1zdrA:
22.2		 4km2A-1zdrA:
32.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
LEU A  54
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
None
 0.59A 4km2A-1zdrA:
22.2		 4km2A-1zdrA:
32.09
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		8 ILE A  13
ALA A  15
ASP A  53
PHE A  57
LEU A 128
ILE A 173
TYR A 179
THR A 194
 CP7  A1240 (-4.1A)
CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
CP7  A1240 ( 4.1A)
MES  A1241 (-4.5A)
CP7  A1240 ( 3.8A)
None
CP7  A1240 (-4.1A)
 0.50A 4km2A-2blbA:
19.0		 4km2A-2blbA:
22.09
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.
2g8l 287AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF01937
(DUF89) 		5 ILE A 110
ALA A  82
LEU A  95
LEU A 129
ILE A 106
 None
 1.13A 4km2A-2g8lA:
undetectable		 4km2A-2g8lA:
21.99
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ALA A  28
ASP A  48
PHE A  52
THR A  80
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
NAP  A 523 (-3.5A)
None
None
None
None
 0.49A 4km2A-2h2qA:
19.5		 4km2A-2h2qA:
19.46
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.
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
PHE A  52
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
None
None
None
 0.58A 4km2A-2h2qA:
19.5		 4km2A-2h2qA:
19.46
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
ASP A  32
PHE A  36
THR A  58
LEU A  67
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 4.2A)
 0.66A 4km2A-2oipA:
20.3		 4km2A-2oipA:
17.23
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  11
ASP A  32
PHE A  36
THR A  58
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
NDP  A 606 ( 3.5A)
None
MTX  A 605 ( 4.2A)
 0.52A 4km2A-2oipA:
20.3		 4km2A-2oipA:
17.23
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.
2vv8 SENSOR PROTEIN FIXL

(Bradyrhizobium
japonicum) 		PF00989
(PAS) 		5 ILE A 165
ILE A 204
LEU A 236
VAL A 222
ILE A 157
 None
HEM  A1258 ( 4.6A)
CMO  A1259 ( 3.7A)
HEM  A1258 (-4.2A)
HEM  A1258 (-3.8A)
 0.92A 4km2A-2vv8A:
undetectable		 4km2A-2vv8A:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		5 ALA A  11
ASP A  31
LEU A  54
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
None
None
VG9  A1168 ( 4.7A)
 1.05A 4km2A-2w3wA:
26.9		 4km2A-2w3wA:
63.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 ALA A  11
ASP A  31
PHE A  35
THR A  50
LEU A  61
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.43A 4km2A-2w3wA:
26.9		 4km2A-2w3wA:
63.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
ASP A  31
THR A  50
VAL A  58
ILE A 102
TYR A 108
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
NDP  A1169 (-3.4A)
None
VG9  A1168 ( 4.2A)
None
 0.68A 4km2A-2w3wA:
26.9		 4km2A-2w3wA:
63.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		8 ALA A  11
ILE A  24
ASP A  31
PHE A  35
LEU A  61
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 0.47A 4km2A-2w3wA:
26.9		 4km2A-2w3wA:
63.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ALA A  11
ILE A  24
ASP A  31
VAL A  58
ILE A 102
TYR A 108
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.0A)
None
VG9  A1168 ( 4.2A)
None
 0.67A 4km2A-2w3wA:
26.9		 4km2A-2w3wA:
63.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ASP A  31
THR A  50
LEU A  54
LEU A  61
ILE A 102
TYR A 108
 VG9  A1168 (-3.0A)
NDP  A1169 (-3.4A)
None
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.70A 4km2A-2w3wA:
26.9		 4km2A-2w3wA:
63.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		6 ASP A  31
THR A  50
LEU A  54
VAL A  58
ILE A 102
TYR A 108
 VG9  A1168 (-3.0A)
NDP  A1169 (-3.4A)
None
None
VG9  A1168 ( 4.2A)
None
 0.73A 4km2A-2w3wA:
26.9		 4km2A-2w3wA:
63.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
TOP  A1160 (-2.8A)
None
None
TOP  A1160 ( 4.5A)
 0.57A 4km2A-2w9sA:
22.7		 4km2A-2w9sA:
30.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
THR A  46
LEU A  54
TYR A  98
THR A 111
 TOP  A1160 (-4.2A)
TOP  A1160 ( 3.6A)
NDP  A1159 (-3.3A)
None
None
TOP  A1160 ( 4.5A)
 0.63A 4km2A-2w9sA:
22.7		 4km2A-2w9sA:
30.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		5 ILE A 150
ILE A 360
VAL A 195
LEU A  43
ILE A 147
 None
 0.86A 4km2A-2zj8A:
undetectable		 4km2A-2zj8A:
12.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		5 ALA A   6
ASP A  26
PHE A  30
LEU A  54
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.0A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.3A)
 0.57A 4km2A-3dfrA:
21.8		 4km2A-3dfrA:
31.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		7 ILE A  14
ALA A  16
ASP A  54
PHE A  58
LEU A 119
TYR A 170
THR A 185
 RJ6  A 609 (-4.5A)
RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.0A)
RJ6  A 609 (-4.3A)
RJ6  A 609 (-4.4A)
NDP  A 610 ( 4.9A)
RJ6  A 609 ( 4.5A)
 0.37A 4km2A-3dg8A:
18.9		 4km2A-3dg8A:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hgq HDA1 COMPLEX SUBUNIT
3

(Saccharomyces
cerevisiae) 		PF11496
(HDA2-3) 		5 ALA A  85
ILE A 244
LEU A 314
ILE A 241
THR A  86
 None
 0.92A 4km2A-3hgqA:
undetectable		 4km2A-3hgqA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i36 VASCULAR PROTEIN
TYROSINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00102
(Y_phosphatase) 		5 ILE A1135
ILE A1114
LEU A1017
LEU A1094
ILE A1131
 None
 0.75A 4km2A-3i36A:
undetectable		 4km2A-3i36A:
18.95
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
ASP X  27
THR X  46
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
NDP  X 207 (-3.2A)
None
N22  X 219 (-4.4A)
 0.53A 4km2A-3i8aX:
22.5		 4km2A-3i8aX:
29.57
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		5 ALA X   7
THR X  46
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
NDP  X 207 (-3.2A)
None
None
N22  X 219 (-4.4A)
 0.85A 4km2A-3i8aX:
22.5		 4km2A-3i8aX:
29.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ILE A   6
ALA A   8
PHE A  32
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.24A 4km2A-3ia4A:
22.3		 4km2A-3ia4A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
PHE A  32
LEU A  55
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 ( 3.7A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-4.3A)
 0.50A 4km2A-3ia4A:
22.3		 4km2A-3ia4A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		6 ILE A   6
PHE A  32
THR A  47
ILE A  96
TYR A 102
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.54A 4km2A-3ia4A:
22.3		 4km2A-3ia4A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		5 ILE A   6
PHE A  32
THR A  47
LEU A  55
THR A 115
 MTX  A 164 (-4.0A)
MTX  A 164 (-4.1A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-4.3A)
 0.77A 4km2A-3ia4A:
22.3		 4km2A-3ia4A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 ILE A   8
ALA A  10
PHE A  34
LEU A  58
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-4.4A)
MTX  A 200 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.68A 4km2A-3ix9A:
21.7		 4km2A-3ix9A:
35.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		5 ILE A   8
ALA A  10
PHE A  34
THR A  49
THR A 119
 MTX  A 200 (-4.1A)
MTX  A 200 (-3.8A)
MTX  A 200 (-4.4A)
NDP  A 193 (-3.4A)
MTX  A 200 ( 4.5A)
 0.35A 4km2A-3ix9A:
21.7		 4km2A-3ix9A:
35.20
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ASP A  37
THR A  69
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 (-3.6A)
None
None
None
 0.67A 4km2A-3kjrA:
20.0		 4km2A-3kjrA:
14.89
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  16
ILE A  29
ASP A  37
LEU A  80
TYR A 129
THR A 144
 NAP  A 512 (-3.7A)
NAP  A 512 (-4.5A)
None
None
None
None
 0.66A 4km2A-3kjrA:
20.0		 4km2A-3kjrA:
14.89
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.
3o47 ADP-RIBOSYLATION
FACTOR
GTPASE-ACTIVATING
PROTEIN 1,
ADP-RIBOSYLATION
FACTOR 1

(Homo sapiens) 		PF00025
(Arf)
PF01412
(ArfGap) 		5 ALA A 158
PHE A 254
LEU A 167
LEU A 300
ILE A 219
 GDP  A 502 (-3.9A)
None
None
None
None
 1.14A 4km2A-3o47A:
undetectable		 4km2A-3o47A:
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.
3quv TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Mycobacteroides
abscessus) 		PF01746
(tRNA_m1G_MT) 		5 ILE A 106
LEU A  20
LEU A 153
ILE A   3
THR A   7
 None
 1.14A 4km2A-3quvA:
undetectable		 4km2A-3quvA:
21.86
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
LEU A  90
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-4.8A)
None
WRA  A 602 (-4.2A)
 1.01A 4km2A-3rg9A:
18.3		 4km2A-3rg9A:
33.06
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) 		7 ALA A  34
ASP A  54
PHE A  58
LEU A  97
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.46A 4km2A-3rg9A:
18.3		 4km2A-3rg9A:
33.06
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) 		7 ALA A  34
ILE A  47
ASP A  54
PHE A  58
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.45A 4km2A-3rg9A:
18.3		 4km2A-3rg9A:
33.06
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
PHE A  58
LEU A  90
ILE A 160
TYR A 166
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
WRA  A 602 (-4.8A)
WRA  A 602 ( 3.9A)
None
 0.54A 4km2A-3rg9A:
18.3		 4km2A-3rg9A:
33.06
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) 		6 ASP A  54
PHE A  58
THR A  86
LEU A  97
ILE A 160
TYR A 166
 WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
None
WRA  A 602 ( 3.9A)
None
 0.53A 4km2A-3rg9A:
18.3		 4km2A-3rg9A:
33.06
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 PHE A  58
THR A  86
LEU A  90
ILE A 160
TYR A 166
 WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
WRA  A 602 (-4.8A)
WRA  A 602 ( 3.9A)
None
 0.52A 4km2A-3rg9A:
18.3		 4km2A-3rg9A:
33.06
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.
3shr CGMP-DEPENDENT
PROTEIN KINASE 1

(Bos taurus) 		PF00027
(cNMP_binding) 		5 ILE A 130
ALA A 178
LEU A 188
ILE A 129
THR A 177
 CMP  A 401 (-4.1A)
CMP  A 401 (-3.8A)
None
None
CMP  A 401 (-2.8A)
 1.00A 4km2A-3shrA:
undetectable		 4km2A-3shrA:
21.17
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.
3sun DNA POLYMERASE

(Escherichia
virus RB69) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 230
ILE A 115
LEU A 213
VAL A 270
LEU A 265
 None
 1.10A 4km2A-3sunA:
undetectable		 4km2A-3sunA:
10.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		7 ILE A   6
ALA A   8
ASP A  28
PHE A  32
LEU A  55
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.55A 4km2A-3tq9A:
22.0		 4km2A-3tq9A:
33.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		6 ILE A   6
PHE A  32
THR A  47
LEU A  55
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.64A 4km2A-3tq9A:
22.0		 4km2A-3tq9A:
33.00
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		8 ILE A  14
ASP A  54
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
THR A 185
 1CY  A 609 (-4.3A)
1CY  A 609 (-2.9A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.47A 4km2A-3um6A:
19.0		 4km2A-3um6A:
15.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		7 ALA A   8
ASP A  28
PHE A  32
LEU A  64
ILE A 111
TYR A 117
THR A 133
 None
 0.63A 4km2A-3vcoA:
17.1		 4km2A-3vcoA:
37.38
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.
4amq L544

(Acanthamoeba
polyphaga
mimivirus) 		no annotation 5 ILE A  20
ILE A  31
PHE A 190
LEU A   8
ILE A  16
 None
 0.93A 4km2A-4amqA:
undetectable		 4km2A-4amqA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d7s STHK_CNBD_CGMP

(Spirochaeta
thermophila) 		PF00027
(cNMP_binding) 		6 ILE A 329
ALA A 379
PHE A 366
LEU A 389
ILE A 328
THR A 378
 PCG  A1423 (-4.2A)
PCG  A1423 (-3.9A)
None
None
None
PCG  A1423 (-3.0A)
 1.05A 4km2A-4d7sA:
undetectable		 4km2A-4d7sA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dcc PUTATIVE HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF13419
(HAD_2) 		5 ILE A  91
PHE A 127
THR A 114
LEU A 143
LEU A 110
 None
None
UNL  A 304 ( 3.8A)
None
None
 0.91A 4km2A-4dccA:
undetectable		 4km2A-4dccA:
21.89
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		8 ILE X  10
ALA X  12
PHE X  36
THR X  61
LEU X  72
ILE X 123
TYR X 129
THR X 144
 TOP  X 301 (-4.2A)
NDP  X 302 ( 3.8A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.48A 4km2A-4g8zX:
19.2		 4km2A-4g8zX:
29.09
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.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 ALA A 259
ILE A 416
LEU A 404
ILE A 439
THR A 260
 None
 1.10A 4km2A-4gx0A:
undetectable		 4km2A-4gx0A:
16.18
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
PHE A  36
THR A  58
LEU A  69
ILE A 112
TYR A 118
THR A 133
 14Q  A 202 (-4.3A)
14Q  A 202 ( 3.7A)
14Q  A 202 (-4.0A)
NDP  A 201 (-3.7A)
None
14Q  A 202 ( 4.2A)
None
14Q  A 202 ( 4.6A)
 0.47A 4km2A-4h96A:
18.0		 4km2A-4h96A:
29.59
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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		8 ILE A   9
ALA A  11
PHE A  36
THR A  58
LEU A  69
ILE A 121
TYR A 127
THR A 140
 14Q  A 302 (-4.1A)
14Q  A 302 ( 3.4A)
14Q  A 302 (-3.8A)
NDP  A 301 (-3.5A)
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.45A 4km2A-4h98A:
17.9		 4km2A-4h98A:
27.90
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.
4ija XYLR PROTEIN

(Staphylococcus
aureus) 		PF00480
(ROK)
PF01047
(MarR) 		5 ILE A 250
ALA A 255
PHE A 251
LEU A 202
ILE A 247
 None
None
None
None
GOL  A 502 ( 4.4A)
 1.12A 4km2A-4ijaA:
undetectable		 4km2A-4ijaA:
19.90
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 ALA A 292
ILE A 289
LEU A 283
LEU A 242
ILE A 227
 None
 1.03A 4km2A-4injA:
undetectable		 4km2A-4injA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 ILE A 259
ILE A 286
LEU A 220
LEU A 245
ILE A 227
 None
 1.11A 4km2A-4injA:
undetectable		 4km2A-4injA:
18.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		5 ALA A   7
ASP A  27
LEU A  50
TYR A 100
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
None
None
TMQ  A 202 (-4.2A)
 1.09A 4km2A-4m2xA:
27.7		 4km2A-4m2xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		9 ILE A   5
ALA A   7
ILE A  20
ASP A  27
PHE A  31
LEU A  57
ILE A  94
TYR A 100
THR A 113
 TMQ  A 202 (-4.0A)
TMQ  A 202 ( 3.5A)
NDP  A 201 (-4.0A)
TMQ  A 202 ( 2.7A)
TMQ  A 202 (-4.0A)
None
TMQ  A 202 ( 3.8A)
None
TMQ  A 202 (-4.2A)
 0.53A 4km2A-4m2xA:
27.7		 4km2A-4m2xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		5 ILE A   5
ILE A  20
VAL A  54
ILE A  94
TYR A 100
 TMQ  A 202 (-4.0A)
NDP  A 201 (-4.0A)
None
TMQ  A 202 ( 3.8A)
None
 0.75A 4km2A-4m2xA:
27.7		 4km2A-4m2xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		7 ILE A   5
PHE A  31
THR A  46
LEU A  50
LEU A  57
ILE A  94
TYR A 100
 TMQ  A 202 (-4.0A)
TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
TMQ  A 202 ( 3.8A)
None
 0.63A 4km2A-4m2xA:
27.7		 4km2A-4m2xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ILE A   5
THR A  46
LEU A  50
VAL A  54
ILE A  94
TYR A 100
 TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
TMQ  A 202 ( 3.8A)
None
 0.59A 4km2A-4m2xA:
27.7		 4km2A-4m2xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		6 ILE A   5
ALA A   7
ASP A  27
PHE A  31
LEU A  55
THR A 116
 RAR  A 200 (-4.0A)
RAR  A 200 ( 3.6A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 (-4.2A)
RAR  A 200 (-4.4A)
 0.74A 4km2A-4m7vA:
21.0		 4km2A-4m7vA:
34.03
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.
4nzy PROBABLE THYMIDYLATE
KINASE

(Sulfurisphaera
tokodaii) 		PF02223
(Thymidylate_kin) 		5 ALA A  98
ILE A  95
THR A 125
VAL A  89
TYR A 176
 None
None
PEG  A 307 (-3.5A)
None
None
 1.08A 4km2A-4nzyA:
undetectable		 4km2A-4nzyA:
18.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
ASP A  27
PHE A  31
THR A  46
ILE A  94
TYR A 100
THR A 113
 MTX  A 201 (-4.1A)
MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.38A 4km2A-4p68A:
22.8		 4km2A-4p68A:
31.38
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.
4pl9 ETHYLENE RECEPTOR 1

(Arabidopsis
thaliana) 		PF02518
(HATPase_c) 		5 ILE A 467
PHE A 577
LEU A 419
ILE A 464
THR A 574
 None
 1.06A 4km2A-4pl9A:
undetectable		 4km2A-4pl9A:
19.79
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.
4qku HYDROLASE

(Burkholderia
cenocepacia) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		5 ALA A 408
LEU A 380
VAL A 388
ILE A 213
THR A 422
 None
 1.13A 4km2A-4qkuA:
undetectable		 4km2A-4qkuA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qr8 XAA-PRO DIPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		5 ILE A 411
PHE A 389
VAL A 277
LEU A 273
ILE A 314
 None
 0.96A 4km2A-4qr8A:
undetectable		 4km2A-4qr8A:
17.87
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.
4qx5 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 264
ALA A 318
PHE A 305
ILE A 263
THR A 317
 CMP  A 401 (-4.0A)
CMP  A 401 (-3.7A)
None
None
CMP  A 401 (-2.9A)
 0.89A 4km2A-4qx5A:
undetectable		 4km2A-4qx5A:
19.79
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.
4z07 CGMP-DEPENDENT
PROTEIN KINASE 1

(Homo sapiens) 		PF00027
(cNMP_binding) 		5 ILE A 146
ALA A 194
LEU A 204
ILE A 145
THR A 193
 PCG  A 401 ( 4.1A)
PCG  A 401 (-3.8A)
None
None
PCG  A 401 (-2.8A)
 0.99A 4km2A-4z07A:
undetectable		 4km2A-4z07A:
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.
5a0m INTRON-ENCODED
ENDONUCLEASE I-SCEI

(Saccharomyces
cerevisiae) 		PF03161
(LAGLIDADG_2) 		5 ALA A 345
PHE A 416
LEU A 475
LEU A 428
ILE A 338
 None
 1.10A 4km2A-5a0mA:
undetectable		 4km2A-5a0mA:
19.74
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		8 ILE A   5
ALA A   7
PHE A  48
THR A  63
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.55A 4km2A-5dxvA:
14.0		 4km2A-5dxvA:
28.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ALA A   8
THR A  47
LEU A  55
TYR A 101
THR A 114
 None
 0.62A 4km2A-5fdaA:
15.5		 4km2A-5fdaA:
32.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		5 ILE A   6
ALA A   8
LEU A  55
TYR A 101
THR A 114
 None
 0.55A 4km2A-5fdaA:
15.5		 4km2A-5fdaA:
32.46
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.
5h12 DEEP VENT DNA
POLYMERASE

(Pyrococcus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 206
LEU A 230
VAL A 220
ILE A 160
THR A 319
 None
 1.07A 4km2A-5h12A:
undetectable		 4km2A-5h12A:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		5 ALA A 577
PHE A 558
LEU A 587
ILE A 520
THR A 576
 PCG  A 801 ( 4.5A)
None
None
None
PCG  A 801 (-3.1A)
 1.09A 4km2A-5h3oA:
undetectable		 4km2A-5h3oA:
12.69
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.
5j6q CELL WALL BINDING
PROTEIN CWP8

(Clostridioides
difficile) 		PF04122
(CW_binding_2) 		5 ILE A 195
ALA A 197
LEU A 223
VAL A 217
ILE A 263
 None
 1.08A 4km2A-5j6qA:
undetectable		 4km2A-5j6qA:
13.95
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		5 ILE A1200
ASP A1310
LEU A1412
LEU A1361
ILE A1299
 None
 1.04A 4km2A-5mzoA:
undetectable		 4km2A-5mzoA:
7.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ALA A  10
ASP A  31
PHE A  35
LEU A  94
TYR A 157
THR A 172
 73X  A 704 (-4.0A)
73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
None
None
73X  A 704 (-4.2A)
 0.46A 4km2A-5t0lA:
19.4		 4km2A-5t0lA:
17.15
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.
5t0l BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Toxoplasma
gondii) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 ASP A  31
PHE A  35
THR A  83
LEU A  94
TYR A 157
 73X  A 704 (-2.8A)
73X  A 704 (-3.2A)
NDP  A 702 (-3.2A)
None
None
 0.61A 4km2A-5t0lA:
19.4		 4km2A-5t0lA:
17.15
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.
5zai -

(-) 		no annotation 5 ALA A 127
ILE A 103
LEU A 148
VAL A 151
ILE A 167
 EDO  A 304 (-4.7A)
None
None
None
GOL  A 307 (-4.0A)
 1.05A 4km2A-5zaiA:
undetectable		 4km2A-5zaiA:
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.
6c08 SODIUM-COUPLED
NEUTRAL AMINO ACID
TRANSPORTER 9

(Danio rerio) 		no annotation 5 ILE C 126
ILE C 490
LEU C 435
LEU C 313
ILE C 123
 None
 1.11A 4km2A-6c08C:
undetectable		 4km2A-6c08C:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 5 ALA A   8
ILE A  21
VAL A  55
ILE A  92
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-4.8A)
MMV  A 202 ( 4.2A)
None
 0.78A 4km2A-6cxmA:
25.6		 4km2A-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 6 ALA A   8
THR A  47
LEU A  51
VAL A  55
ILE A  92
TYR A  98
 NAP  A 201 (-3.9A)
NAP  A 201 (-3.3A)
None
MMV  A 202 (-4.8A)
MMV  A 202 ( 4.2A)
None
 0.72A 4km2A-6cxmA:
25.6		 4km2A-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 10 ILE A   6
ALA A   8
ASP A  28
PHE A  32
THR A  47
LEU A  51
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
None
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.61A 4km2A-6cxmA:
25.6		 4km2A-6cxmA:
49.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cxm DIHYDROFOLATE
REDUCTASE

(Mycolicibacterium
smegmatis) 		no annotation 9 ILE A   6
ALA A   8
ILE A  21
ASP A  28
PHE A  32
LEU A  58
ILE A  92
TYR A  98
THR A 111
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.9A)
NAP  A 201 (-3.8A)
MMV  A 202 (-2.9A)
MMV  A 202 (-3.7A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.56A 4km2A-6cxmA:
25.6		 4km2A-6cxmA:
49.17
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.
6fpe TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN TSAB

(Thermotoga
maritima) 		no annotation 5 ILE A  25
LEU A  80
VAL A  52
LEU A   4
ILE A  14
 None
 1.06A 4km2A-6fpeA:
undetectable		 4km2A-6fpeA:
21.23