SIMILAR PATTERNS OF AMINO ACIDS FOR 4KM2_B_TOPB202

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 4km2B-1cz3A:
17.5		 4km2B-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) 		5 ASP A  27
PHE A  31
THR A  47
LEU A  55
ILE A 100
 None
None
SO4  A 200 (-3.7A)
None
None
 0.42A 4km2B-1cz3A:
17.5		 4km2B-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) 		6 ILE A   7
ALA A   9
PHE A  34
LEU A  67
TYR A 121
THR A 136
 HBI  A 198 (-4.1A)
HBI  A 198 ( 3.6A)
HBI  A 198 (-4.1A)
None
None
HBI  A 198 ( 4.5A)
 0.47A 4km2B-1dr6A:
19.8		 4km2B-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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ILE A   7
PHE A  34
THR A  56
LEU A  67
TYR A 121
 HBI  A 198 (-4.1A)
HBI  A 198 (-4.1A)
NAP  A 191 (-3.5A)
None
None
 0.59A 4km2B-1dr6A:
19.8		 4km2B-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
 1.02A 4km2B-1epvA:
undetectable		 4km2B-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.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		5 ILE A 269
PHE A 305
LEU A 182
VAL A 320
LEU A 322
 None
 0.91A 4km2B-1g0vA:
undetectable		 4km2B-1g0vA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h65 CHLOROPLAST OUTER
ENVELOPE PROTEIN
OEP34

(Pisum sativum) 		PF04548
(AIG1) 		5 ILE A 158
LEU A  32
VAL A  37
LEU A  40
ILE A 239
 None
 0.79A 4km2B-1h65A:
undetectable		 4km2B-1h65A:
18.32
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.
1lwu FIBRINOGEN GAMMA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C) 		5 ALA C 339
PHE C 288
THR C 380
LEU C 244
THR C 303
 None
 1.09A 4km2B-1lwuC:
undetectable		 4km2B-1lwuC:
19.08
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) 		6 ILE A   7
ALA A   9
PHE A  34
LEU A  67
TYR A 121
THR A 136
 MTX  A 187 (-3.8A)
NDP  A 188 (-3.6A)
MTX  A 187 (-4.3A)
MTX  A 187 ( 4.5A)
None
MTX  A 187 (-4.4A)
 0.44A 4km2B-1u70A:
19.7		 4km2B-1u70A:
32.29
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) 		5 ILE A   7
PHE A  34
THR A  56
LEU A  67
TYR A 121
 MTX  A 187 (-3.8A)
MTX  A 187 (-4.3A)
NDP  A 188 (-3.9A)
MTX  A 187 ( 4.5A)
None
 0.59A 4km2B-1u70A:
19.7		 4km2B-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)
 0.49A 4km2B-1u71A:
19.7		 4km2B-1u71A:
29.81
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
LEU A  54
ILE A  96
THR A 115
 None
None
None
SO4  A3486 (-4.1A)
SO4  A3486 (-4.2A)
None
None
 0.41A 4km2B-1zdrA:
22.1		 4km2B-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
ASP A  27
PHE A  31
THR A  46
LEU A  54
ILE A  96
THR A 115
 None
None
SO4  A3486 (-4.1A)
SO4  A3483 (-3.5A)
SO4  A3486 (-4.2A)
None
None
 0.50A 4km2B-1zdrA:
22.1		 4km2B-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 4km2B-2blbA:
18.6		 4km2B-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.
2ew1 RAS-RELATED PROTEIN
RAB-30

(Homo sapiens) 		PF00071
(Ras) 		5 ILE A  11
ALA A 166
PHE A 162
LEU A  24
ILE A  85
 None
 1.03A 4km2B-2ew1A:
undetectable		 4km2B-2ew1A:
29.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		7 ALA A  28
ASP A  48
PHE A  52
LEU A  91
ILE A 154
TYR A 160
THR A 178
 NAP  A 523 (-3.7A)
None
None
None
None
None
None
 0.45A 4km2B-2h2qA:
19.1		 4km2B-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) 		7 ALA A  28
ILE A  41
ASP A  48
PHE A  52
LEU A  91
ILE A 154
THR A 178
 NAP  A 523 (-3.7A)
NAP  A 523 (-4.4A)
None
None
None
None
None
 0.53A 4km2B-2h2qA:
19.1		 4km2B-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) 		6 ASP A  48
PHE A  52
THR A  80
LEU A  91
ILE A 154
TYR A 160
 None
None
NAP  A 523 (-3.5A)
None
None
None
 0.58A 4km2B-2h2qA:
19.1		 4km2B-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.
2in3 HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF01323
(DSBA) 		5 PHE A  22
LEU A 203
LEU A 178
ILE A  26
THR A  73
 None
 1.11A 4km2B-2in3A:
undetectable		 4km2B-2in3A:
24.34
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.
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
LEU A  67
TYR A 119
THR A 134
 MTX  A 605 ( 3.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.1A)
MTX  A 605 ( 4.4A)
None
MTX  A 605 ( 4.2A)
 0.51A 4km2B-2oipA:
19.9		 4km2B-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)
 0.77A 4km2B-2vv8A:
undetectable		 4km2B-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) 		6 ALA A  11
ASP A  31
LEU A  54
ILE A 102
TYR A 108
THR A 121
 VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
None
VG9  A1168 ( 4.2A)
None
VG9  A1168 ( 4.7A)
 1.47A 4km2B-2w3wA:
26.4		 4km2B-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)
 0.45A 4km2B-2w3wA:
26.4		 4km2B-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) 		7 ALA A  11
ILE A  24
PHE A  35
VAL A  58
LEU A  61
ILE A 102
TYR A 108
 VG9  A1168 ( 3.8A)
NDP  A1169 ( 4.4A)
VG9  A1168 (-3.9A)
None
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.87A 4km2B-2w3wA:
26.4		 4km2B-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
PHE A  35
THR A  50
LEU A  61
ILE A 102
TYR A 108
 VG9  A1168 (-3.0A)
VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.54A 4km2B-2w3wA:
26.4		 4km2B-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 PHE A  35
THR A  50
VAL A  58
LEU A  61
ILE A 102
TYR A 108
 VG9  A1168 (-3.9A)
NDP  A1169 (-3.4A)
None
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.68A 4km2B-2w3wA:
26.4		 4km2B-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 THR A  50
LEU A  54
VAL A  58
LEU A  61
ILE A 102
TYR A 108
 NDP  A1169 (-3.4A)
None
None
VG9  A1168 ( 4.4A)
VG9  A1168 ( 4.2A)
None
 0.50A 4km2B-2w3wA:
26.4		 4km2B-2w3wA:
63.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w92 ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE D

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		5 ALA A 585
PHE A 533
LEU A 680
VAL A 606
LEU A 608
 None
 0.83A 4km2B-2w92A:
undetectable		 4km2B-2w92A:
13.69
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)
 0.60A 4km2B-2w9sA:
22.1		 4km2B-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.
2x3e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ILE A 325
ALA A  63
LEU A 306
VAL A 318
LEU A 320
 None
 0.80A 4km2B-2x3eA:
undetectable		 4km2B-2x3eA:
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.
3c6g CYTOCHROME P450 2R1

(Homo sapiens) 		PF00067
(p450) 		6 ILE A 309
ILE A 379
LEU A 114
VAL A 226
LEU A 246
THR A 314
 None
HEM  A 601 ( 4.1A)
None
None
None
HEM  A 601 (-3.4A)
 1.44A 4km2B-3c6gA:
undetectable		 4km2B-3c6gA:
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.
3cph RAS-RELATED PROTEIN
SEC4

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 ILE A  23
ALA A 177
PHE A 173
LEU A  36
ILE A  97
 None
 1.05A 4km2B-3cphA:
undetectable		 4km2B-3cphA:
23.74
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)
 0.36A 4km2B-3dfrA:
21.3		 4km2B-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)
 0.46A 4km2B-3dg8A:
18.5		 4km2B-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.
3fdu PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Acinetobacter
baumannii) 		PF00378
(ECH_1) 		5 ILE A 119
LEU A 108
VAL A  59
LEU A  61
ILE A 123
 None
 1.03A 4km2B-3fduA:
undetectable		 4km2B-3fduA:
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.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440

(Streptococcus
pneumoniae) 		PF03644
(Glyco_hydro_85) 		5 ALA A 585
PHE A 533
LEU A 680
VAL A 606
LEU A 608
 None
 0.80A 4km2B-3gdbA:
undetectable		 4km2B-3gdbA:
11.95
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
LEU X  54
TYR X  98
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
None
None
N22  X 219 (-4.4A)
 0.80A 4km2B-3i8aX:
21.9		 4km2B-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) 		7 ILE A   6
ALA A   8
PHE A  32
LEU A  55
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 ( 4.4A)
MTX  A 164 ( 4.2A)
None
MTX  A 164 (-4.3A)
 0.50A 4km2B-3ia4A:
21.7		 4km2B-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
THR A  47
LEU A  55
ILE A  96
TYR A 102
 MTX  A 164 (-4.0A)
NDP  A 163 (-3.4A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 4.2A)
None
 0.54A 4km2B-3ia4A:
21.7		 4km2B-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) 		6 ILE A   8
ALA A  10
PHE A  34
THR A  49
LEU A  58
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 ( 4.0A)
MTX  A 200 ( 4.5A)
 0.68A 4km2B-3ix9A:
21.1		 4km2B-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.
3iz3 STRUCTURAL PROTEIN
VP1

(Cypovirus 1) 		no annotation 5 ILE B 820
PHE B 819
LEU B1059
LEU B 255
ILE B 823
 None
 1.01A 4km2B-3iz3B:
undetectable		 4km2B-3iz3B:
8.48
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.
3k1t GLUTAMATE--CYSTEINE
LIGASE GSHA

(Methylobacillus
flagellatus) 		PF08886
(GshA) 		5 ILE A 292
PHE A 244
LEU A 326
VAL A 257
LEU A 253
 None
GOL  A 439 (-4.4A)
None
None
GOL  A 439 ( 4.9A)
 1.12A 4km2B-3k1tA:
undetectable		 4km2B-3k1tA:
18.81
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.
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
 0.61A 4km2B-3kjrA:
19.8		 4km2B-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.
3o3p MANNOSYL-3-PHOSPHOGL
YCERATE SYNTHASE

(Rubrobacter
xylanophilus) 		PF00535
(Glycos_transf_2) 		5 ALA A  66
LEU A 150
VAL A 149
LEU A 132
ILE A  74
 None
 1.05A 4km2B-3o3pA:
undetectable		 4km2B-3o3pA:
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.
3o44 HEMOLYSIN

(Vibrio cholerae) 		PF07968
(Leukocidin)
PF12563
(Hemolysin_N)
PF16458
(Beta-prism_lec) 		5 ILE A 616
PHE A 664
LEU A 699
LEU A 639
ILE A 645
 None
 1.10A 4km2B-3o44A:
undetectable		 4km2B-3o44A:
17.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qmj ENOYL-COA HYDRATASE,
ECHA8_6

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 ILE A 108
LEU A  97
VAL A  49
LEU A  51
ILE A 112
 None
 0.97A 4km2B-3qmjA:
undetectable		 4km2B-3qmjA:
20.69
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.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		5 ILE A  47
LEU A 218
VAL A 214
LEU A 187
THR A  22
 None
 1.12A 4km2B-3qtgA:
undetectable		 4km2B-3qtgA:
19.61
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
LEU A  97
ILE A 160
THR A 184
 WRA  A 602 (-3.9A)
WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
None
WRA  A 602 ( 3.9A)
WRA  A 602 (-4.2A)
 0.53A 4km2B-3rg9A:
17.8		 4km2B-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
LEU A  97
ILE A 160
 WRA  A 602 (-3.9A)
WRA  A 602 (-3.9A)
WRA  A 602 (-4.8A)
None
WRA  A 602 ( 3.9A)
 0.64A 4km2B-3rg9A:
17.8		 4km2B-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 ILE A  47
ASP A  54
PHE A  58
LEU A  97
ILE A 160
TYR A 166
THR A 184
 WRA  A 602 ( 4.5A)
WRA  A 602 (-2.9A)
WRA  A 602 (-3.9A)
None
WRA  A 602 ( 3.9A)
None
WRA  A 602 (-4.2A)
 0.65A 4km2B-3rg9A:
17.8		 4km2B-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 PHE A  58
THR A  86
LEU A  90
LEU A  97
ILE A 160
TYR A 166
 WRA  A 602 (-3.9A)
NDP  A 601 ( 3.2A)
WRA  A 602 (-4.8A)
None
WRA  A 602 ( 3.9A)
None
 0.51A 4km2B-3rg9A:
17.8		 4km2B-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)
 1.09A 4km2B-3shrA:
undetectable		 4km2B-3shrA:
21.17
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) 		6 ILE A   6
ALA A   8
ASP A  28
PHE A  32
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 ( 3.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.32A 4km2B-3tq9A:
21.4		 4km2B-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
ASP A  28
PHE A  32
LEU A  55
ILE A  96
THR A 115
 MTX  A2001 (-4.0A)
MTX  A2001 (-2.7A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
MTX  A2001 (-4.3A)
 0.43A 4km2B-3tq9A:
21.4		 4km2B-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) 		5 ILE A   6
PHE A  32
THR A  47
LEU A  55
ILE A  96
 MTX  A2001 (-4.0A)
MTX  A2001 (-4.3A)
NDP  A1001 (-3.1A)
MTX  A2001 ( 4.5A)
MTX  A2001 ( 4.2A)
 0.49A 4km2B-3tq9A:
21.4		 4km2B-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) 		7 ILE A  14
ASP A  54
PHE A  58
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)
None
1CY  A 609 ( 4.0A)
None
1CY  A 609 (-4.3A)
 0.46A 4km2B-3um6A:
18.5		 4km2B-3um6A:
15.26
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.
3um6 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ILE A  14
PHE A  58
THR A 108
LEU A 119
ILE A 164
TYR A 170
 1CY  A 609 (-4.3A)
1CY  A 609 (-3.5A)
NDP  A 610 ( 3.4A)
None
1CY  A 609 ( 4.0A)
None
 0.35A 4km2B-3um6A:
18.5		 4km2B-3um6A:
15.26
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A1356
PHE A1374
VAL A1286
LEU A1297
ILE A1329
 None
 1.11A 4km2B-3va7A:
undetectable		 4km2B-3va7A:
10.87
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
 0.61A 4km2B-3vcoA:
16.8		 4km2B-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.
4cz1 KYNURENINE
FORMAMIDASE

(Bacillus
anthracis) 		PF04199
(Cyclase) 		5 ILE A 171
ASP A 151
LEU A  96
LEU A 109
ILE A 143
 None
 0.83A 4km2B-4cz1A:
undetectable		 4km2B-4cz1A:
21.82
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.
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)
 1.16A 4km2B-4d7sA:
undetectable		 4km2B-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.
4fp4 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		5 ILE A 247
LEU A 171
LEU A  50
ILE A 243
THR A 214
 None
 1.11A 4km2B-4fp4A:
undetectable		 4km2B-4fp4A:
21.71
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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ILE X  10
ALA X  12
PHE X  36
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)
None
TOP  X 301 ( 4.0A)
None
TOP  X 301 (-4.5A)
 0.43A 4km2B-4g8zX:
19.0		 4km2B-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.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		6 ILE X  10
PHE X  36
THR X  61
LEU X  72
ILE X 123
TYR X 129
 TOP  X 301 (-4.2A)
TOP  X 301 (-3.9A)
NDP  X 302 (-3.4A)
None
TOP  X 301 ( 4.0A)
None
 0.49A 4km2B-4g8zX:
19.0		 4km2B-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.
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)
 0.57A 4km2B-4h96A:
17.7		 4km2B-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) 		7 ILE A   9
ALA A  11
PHE A  36
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)
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.47A 4km2B-4h98A:
17.4		 4km2B-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.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ILE A   9
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 (-3.8A)
NDP  A 301 (-3.5A)
None
14Q  A 302 ( 4.0A)
None
14Q  A 302 (-4.2A)
 0.52A 4km2B-4h98A:
17.4		 4km2B-4h98A:
27.90
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)
 0.52A 4km2B-4m2xA:
27.0		 4km2B-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
ILE A  20
VAL A  54
LEU A  57
ILE A  94
TYR A 100
 TMQ  A 202 (-4.0A)
NDP  A 201 (-4.0A)
None
None
TMQ  A 202 ( 3.8A)
None
 0.96A 4km2B-4m2xA:
27.0		 4km2B-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
 0.53A 4km2B-4m2xA:
27.0		 4km2B-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
THR A  46
LEU A  50
VAL A  54
LEU A  57
ILE A  94
TYR A 100
 TMQ  A 202 (-4.0A)
NDP  A 201 (-3.4A)
None
None
None
TMQ  A 202 ( 3.8A)
None
 0.58A 4km2B-4m2xA:
27.0		 4km2B-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)
 0.56A 4km2B-4m7vA:
20.6		 4km2B-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.
4nv0 7-METHYLGUANOSINE
PHOSPHATE-SPECIFIC
5'-NUCLEOTIDASE

(Drosophila
melanogaster) 		PF05822
(UMPH-1) 		5 ILE A 265
ILE A  60
LEU A 160
LEU A 300
ILE A 241
 None
 1.03A 4km2B-4nv0A:
undetectable		 4km2B-4nv0A:
17.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
ASP A  27
PHE A  31
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)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.39A 4km2B-4p68A:
22.1		 4km2B-4p68A:
31.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		7 ILE A   5
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 (-3.0A)
MTX  A 201 (-4.1A)
NAP  A 202 (-3.2A)
MTX  A 201 ( 4.3A)
None
MTX  A 201 ( 4.5A)
 0.54A 4km2B-4p68A:
22.1		 4km2B-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
 1.00A 4km2B-4pl9A:
undetectable		 4km2B-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.
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
 0.83A 4km2B-4qr8A:
undetectable		 4km2B-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)
 0.88A 4km2B-4qx5A:
undetectable		 4km2B-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.
4uzy FLAGELLAR ASSOCIATED
PROTEIN

(Chlamydomonas
reinhardtii) 		PF12895
(ANAPC3)
PF13174
(TPR_6) 		5 ILE A 470
ALA A 456
LEU A 484
VAL A 515
LEU A 511
 None
 1.00A 4km2B-4uzyA:
undetectable		 4km2B-4uzyA:
12.60
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.
4w8b EXO-XYLOGLUCANASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		5 ILE A 208
LEU A 286
VAL A 230
LEU A 232
ILE A 275
 None
 0.97A 4km2B-4w8bA:
undetectable		 4km2B-4w8bA:
19.02
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.
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)
 1.09A 4km2B-4z07A:
undetectable		 4km2B-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.
4z07 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
 PCG  A 402 ( 4.0A)
PCG  A 402 (-4.0A)
None
None
PCG  A 402 (-2.7A)
 0.96A 4km2B-4z07A:
undetectable		 4km2B-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.
5b1h CYSTATHIONINE
BETA-SYNTHASE

(Lactobacillus
plantarum) 		PF00291
(PALP) 		5 ALA A 275
ILE A 284
LEU A 252
ILE A  20
THR A 276
 None
 0.99A 4km2B-5b1hA:
undetectable		 4km2B-5b1hA:
22.40
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		7 ILE A   5
ALA A   7
PHE A  48
LEU A  71
ILE A 111
TYR A 117
THR A 130
 None
NAP  A 201 (-3.7A)
PEG  A 202 ( 3.7A)
None
None
None
CME  A 140 ( 4.5A)
 0.47A 4km2B-5dxvA:
14.0		 4km2B-5dxvA:
28.50
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ILE A   5
PHE A  48
THR A  63
LEU A  71
ILE A 111
TYR A 117
 None
PEG  A 202 ( 3.7A)
NAP  A 201 (-3.7A)
None
None
None
 0.50A 4km2B-5dxvA:
14.0		 4km2B-5dxvA:
28.50
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.
5ed1 DOUBLE-STRANDED
RNA-SPECIFIC EDITASE
1

(Homo sapiens) 		PF02137
(A_deamin) 		5 ASP A 392
VAL A 355
LEU A 444
ILE A 520
THR A 513
 None
None
None
None
IHP  A 801 (-4.1A)
 1.10A 4km2B-5ed1A:
undetectable		 4km2B-5ed1A:
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.
5hdh TOLL-LIKE RECEPTOR 8

(Homo sapiens) 		PF13855
(LRR_8) 		5 ILE A 166
PHE A 197
LEU A 213
LEU A 208
ILE A 161
 None
 1.05A 4km2B-5hdhA:
undetectable		 4km2B-5hdhA:
13.16
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 ALA A1356
PHE A1374
VAL A1286
LEU A1297
ILE A1329
 None
 1.11A 4km2B-5i8iA:
undetectable		 4km2B-5i8iA:
7.46
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.
5min QUINOPROTEIN GLUCOSE
DEHYDROGENASE B

(Acinetobacter
calcoaceticus) 		no annotation 5 PHE A  17
LEU A 372
VAL A 410
LEU A 419
ILE A 364
 None
 1.10A 4km2B-5minA:
undetectable		 4km2B-5minA:
18.23
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.
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)
 0.45A 4km2B-5t0lA:
19.1		 4km2B-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.
5w1m PRE-GLYCOPROTEIN
POLYPROTEIN GP
COMPLEX

(Machupo
mammarenavirus) 		no annotation 5 ILE Q 217
ILE Q 192
PHE Q 148
LEU Q  91
ILE Q 110
 None
 1.10A 4km2B-5w1mQ:
undetectable		 4km2B-5w1mQ:
14.53
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.
5yh1 -

(-) 		no annotation 5 ILE A 379
ILE A 517
VAL A 435
LEU A 359
ILE A 378
 None
 0.82A 4km2B-5yh1A:
undetectable		 4km2B-5yh1A:
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.
5ypt STILBENECARBOXYLATE
SYNTHASE 1

(Marchantia
polymorpha) 		no annotation 5 ALA A 115
LEU A 386
VAL A 372
LEU A 173
ILE A 226
 None
 1.06A 4km2B-5yptA:
undetectable		 4km2B-5yptA:
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.
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 4km2B-5zaiA:
undetectable		 4km2B-5zaiA:
undetectable
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
ASP A  28
PHE A  32
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)
None
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
MMV  A 202 (-4.4A)
 0.54A 4km2B-6cxmA:
25.1		 4km2B-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)
 0.50A 4km2B-6cxmA:
25.1		 4km2B-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 ILE A   6
ILE A  21
VAL A  55
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.8A)
MMV  A 202 (-4.8A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.91A 4km2B-6cxmA:
25.1		 4km2B-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 7 ILE A   6
PHE A  32
THR A  47
LEU A  51
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
MMV  A 202 (-3.7A)
NAP  A 201 (-3.3A)
None
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.48A 4km2B-6cxmA:
25.1		 4km2B-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 7 ILE A   6
THR A  47
LEU A  51
VAL A  55
LEU A  58
ILE A  92
TYR A  98
 MMV  A 202 (-4.0A)
NAP  A 201 (-3.3A)
None
MMV  A 202 (-4.8A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.2A)
None
 0.64A 4km2B-6cxmA:
25.1		 4km2B-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.
6f2d FLAGELLAR
BIOSYNTHETIC PROTEIN
FLIP
FLAGELLAR
BIOSYNTHETIC PROTEIN
FLIR

(Salmonella
enterica) 		no annotation 5 ILE F  54
ALA A 154
ILE A 169
THR A 176
ILE F  50
 None
 1.09A 4km2B-6f2dF:
undetectable		 4km2B-6f2dF:
18.71