SIMILAR PATTERNS OF AMINO ACIDS FOR 4KY8_A_MTXA603_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bf5 SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind) 		5 LEU A 347
LEU A 354
ILE A 446
LEU A 444
ARG A 274
 None
 1.11A 4ky8A-1bf5A:
undetectable		 4ky8A-1bf5A:
23.48
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		7 VAL A   6
ALA A   8
ASP A  27
ILE A  51
LEU A  55
ARG A  58
THR A 121
 None
 0.52A 4ky8A-1cz3A:
13.2		 4ky8A-1cz3A:
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.
1cz3 DIHYDROFOLATE
REDUCTASE

(Thermotoga
maritima) 		PF00186
(DHFR_1) 		5 VAL A   6
ALA A   8
ASP A  27
LYS A  29
THR A 121
 None
 1.02A 4ky8A-1cz3A:
13.2		 4ky8A-1cz3A:
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.
1dr6 DIHYDROFOLATE
REDUCTASE

(Gallus gallus) 		PF00186
(DHFR_1) 		5 ALA A   9
LEU A  22
LYS A  32
SER A  59
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
None
NAP  A 191 ( 4.1A)
HBI  A 198 ( 4.5A)
 0.85A 4ky8A-1dr6A:
16.1		 4ky8A-1dr6A:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 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 ALA A   9
LEU A  22
SER A  59
ILE A  60
LEU A  67
ARG A  70
THR A 136
 HBI  A 198 ( 3.6A)
NAP  A 191 ( 4.7A)
NAP  A 191 ( 4.1A)
None
None
None
HBI  A 198 ( 4.5A)
 0.76A 4ky8A-1dr6A:
16.1		 4ky8A-1dr6A:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1flo FLP RECOMBINASE

(Saccharomyces
cerevisiae) 		PF03930
(Flp_N)
PF05202
(Flp_C) 		5 LEU A 287
LYS A 303
SER A 169
ARG A 281
THR A 185
 None
 1.07A 4ky8A-1floA:
undetectable		 4ky8A-1floA:
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.
1j1u TYROSYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF00579
(tRNA-synt_1b) 		5 LEU A  55
LEU A  20
SER A  16
ARG A 181
THR A  11
 None
 1.04A 4ky8A-1j1uA:
undetectable		 4ky8A-1j1uA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 VAL A   5
LEU A  28
ASP A  36
LEU A  37
LEU A  63
ARG A  66
 None
 0.91A 4ky8A-1juvA:
4.6		 4ky8A-1juvA:
16.63
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		6 VAL A   5
LEU A  28
ASP A  36
LEU A  37
SER A  58
ARG A  66
 None
None
None
None
NDP  A 194 ( 3.9A)
None
 0.87A 4ky8A-1juvA:
4.6		 4ky8A-1juvA:
16.63
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.
1lrk UDP-GLUCOSE
4-EPIMERASE

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		5 LEU A 175
SER A 123
SER A 171
ILE A 172
THR A  16
 None
 0.99A 4ky8A-1lrkA:
undetectable		 4ky8A-1lrkA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t46 HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A 783
LEU A 647
SER A 645
ILE A 571
LEU A 576
 None
 1.09A 4ky8A-1t46A:
undetectable		 4ky8A-1t46A:
19.53
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.
1u2b CYTOHESIN 3

(Mus musculus) 		PF00169
(PH) 		5 LEU A 271
LYS A 273
SER A 375
ILE A 376
LEU A 330
 None
SO4  A 501 ( 2.8A)
None
None
None
 1.05A 4ky8A-1u2bA:
undetectable		 4ky8A-1u2bA:
13.65
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.
1u70 DIHYDROFOLATE
REDUCTASE

(Mus musculus) 		PF00186
(DHFR_1) 		6 ALA A   9
SER A  59
ILE A  60
LEU A  67
ARG A  70
THR A 136
 NDP  A 188 (-3.6A)
NDP  A 188 ( 3.8A)
MTX  A 187 ( 4.2A)
MTX  A 187 ( 4.5A)
MTX  A 187 (-3.1A)
MTX  A 187 (-4.4A)
 0.88A 4ky8A-1u70A:
15.8		 4ky8A-1u70A:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u71 DIHYDROFOLATE
REDUCTASE

(Homo sapiens) 		PF00186
(DHFR_1) 		6 ALA A   9
SER A  59
ILE A  60
LEU A  67
ARG A  70
THR A 136
 MXA  A 187 (-3.6A)
MXA  A 187 (-3.8A)
MXA  A 187 ( 4.7A)
None
None
MXA  A 187 (-4.3A)
 0.72A 4ky8A-1u71A:
16.0		 4ky8A-1u71A:
18.01
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.
1zdr DIHYDROFOLATE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00186
(DHFR_1) 		8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 115
 None
None
None
SO4  A3486 ( 4.8A)
SO4  A3486 ( 4.8A)
SO4  A3486 (-4.2A)
SO4  A3484 (-3.3A)
None
 0.68A 4ky8A-1zdrA:
9.6		 4ky8A-1zdrA:
16.89
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.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		5 ALA A  15
ASP A  53
LYS A  55
SER A  58
THR A 194
 CP7  A1240 (-3.7A)
CP7  A1240 (-3.1A)
None
MES  A1241 (-3.1A)
CP7  A1240 (-4.1A)
 0.71A 4ky8A-2blbA:
16.1		 4ky8A-2blbA:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2blb DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
vivax) 		PF00186
(DHFR_1) 		9 ALA A  15
LEU A  45
ASP A  53
SER A  58
SER A 120
ILE A 121
LEU A 128
ARG A 131
THR A 194
 CP7  A1240 (-3.7A)
NDP  A1239 (-4.8A)
CP7  A1240 (-3.1A)
MES  A1241 (-3.1A)
NDP  A1239 (-3.6A)
MES  A1241 ( 4.1A)
MES  A1241 (-4.5A)
MES  A1241 (-2.7A)
CP7  A1240 (-4.1A)
 0.74A 4ky8A-2blbA:
16.1		 4ky8A-2blbA:
16.51
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 VAL A  26
ALA A  28
ASP A  48
SER A  83
ILE A  84
LEU A  91
ARG A  94
THR A 178
 None
NAP  A 523 (-3.7A)
None
NAP  A 523 ( 4.4A)
None
None
None
None
 0.76A 4ky8A-2h2qA:
35.7		 4ky8A-2h2qA:
42.68
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.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN

(Homo sapiens) 		PF00588
(SpoU_methylase) 		5 ALA A  75
LEU A  55
SER A  53
ILE A 168
LEU A  27
 None
 1.14A 4ky8A-2ha8A:
undetectable		 4ky8A-2ha8A:
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.
2hlj HYPOTHETICAL PROTEIN

(Pseudomonas
putida) 		PF13279
(4HBT_2) 		5 VAL A  77
LEU A  22
SER A  32
ILE A  63
THR A   9
 None
None
GOL  A 157 (-2.8A)
None
None
 1.12A 4ky8A-2hljA:
undetectable		 4ky8A-2hljA:
15.87
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.
2i1s HYPOTHETICAL PROTEIN

(Methanosarcina
mazei) 		PF07929
(PRiA4_ORF3) 		5 ALA A 101
LEU A  11
LEU A  90
LYS A  89
ILE A 120
 None
 1.02A 4ky8A-2i1sA:
undetectable		 4ky8A-2i1sA:
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.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 VAL A  59
ALA A 193
LEU A 195
LEU A 311
LEU A  83
 None
 1.02A 4ky8A-2nsmA:
undetectable		 4ky8A-2nsmA:
22.91
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) 		10 VAL A   9
ALA A  11
LEU A  25
ASP A  32
LEU A  33
LYS A  34
SER A  37
ILE A  62
ARG A  70
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
None
MTX  A 605 ( 2.9A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.55A 4ky8A-2oipA:
51.7		 4ky8A-2oipA:
99.81
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) 		11 VAL A   9
ALA A  11
LEU A  25
ASP A  32
LEU A  33
SER A  37
SER A  61
ILE A  62
LEU A  67
ARG A  70
THR A 134
 MTX  A 605 ( 4.0A)
MTX  A 605 ( 3.6A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 3.0A)
MTX  A 605 ( 4.0A)
MTX  A 605 ( 2.9A)
NDP  A 606 ( 4.5A)
MTX  A 605 ( 4.6A)
MTX  A 605 ( 4.4A)
MTX  A 605 ( 3.1A)
MTX  A 605 ( 4.2A)
 0.57A 4ky8A-2oipA:
51.7		 4ky8A-2oipA:
99.81
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.
2qk8 DIHYDROFOLATE
REDUCTASE

(Bacillus
anthracis) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  21
LEU A  29
ILE A  51
LEU A  55
ARG A  58
THR A 115
 MTX  A 200 ( 3.4A)
MTX  A 200 ( 4.5A)
MTX  A 200 ( 4.3A)
MTX  A 200 ( 4.2A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 2.8A)
MTX  A 200 ( 4.4A)
 0.78A 4ky8A-2qk8A:
14.2		 4ky8A-2qk8A:
16.91
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.
2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Mycobacterium
tuberculosis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A 165
ALA A 163
LEU A  98
SER A  69
ILE A 103
 None
 1.14A 4ky8A-2qnyA:
undetectable		 4ky8A-2qnyA:
20.20
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.
2qpq PROTEIN BUG27

(Bordetella
pertussis) 		PF03401
(TctC) 		5 ALA A 180
LEU A 169
LEU A 196
ILE A 188
LEU A 210
 None
 1.04A 4ky8A-2qpqA:
undetectable		 4ky8A-2qpqA:
19.50
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.
2rfg DIHYDRODIPICOLINATE
SYNTHASE

(Hahella
chejuensis) 		PF00701
(DHDPS) 		5 LEU A 235
LEU A 287
SER A 205
ILE A 208
LEU A 258
 None
 1.04A 4ky8A-2rfgA:
undetectable		 4ky8A-2rfgA:
19.33
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.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 VAL A   9
ALA A  11
ASP A  31
LEU A  32
LEU A  61
ARG A  64
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
VG9  A1168 (-4.7A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.69A 4ky8A-2w3wA:
14.8		 4ky8A-2w3wA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3w DIHYDROFOLATE
REDUCTASE

(Mycobacterium
avium) 		PF00186
(DHFR_1) 		7 VAL A   9
ALA A  11
ASP A  31
SER A  53
LEU A  61
ARG A  64
THR A 121
 VG9  A1168 (-4.2A)
VG9  A1168 ( 3.8A)
VG9  A1168 (-3.0A)
NDP  A1169 ( 3.9A)
VG9  A1168 ( 4.4A)
VG9  A1168 ( 3.7A)
VG9  A1168 ( 4.7A)
 0.73A 4ky8A-2w3wA:
14.8		 4ky8A-2w3wA:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
None
TOP  A1160 ( 4.5A)
 1.13A 4ky8A-2w9sA:
9.3		 4ky8A-2w9sA:
17.44
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.
2w9s DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		9 ALA A   7
LEU A  20
ASP A  27
LEU A  28
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 TOP  A1160 ( 3.6A)
TOP  A1160 ( 4.2A)
TOP  A1160 (-2.8A)
TOP  A1160 ( 4.6A)
TOP  A1160 (-3.5A)
TOP  A1160 (-4.4A)
None
None
TOP  A1160 ( 4.5A)
 0.81A 4ky8A-2w9sA:
9.3		 4ky8A-2w9sA:
17.44
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.
2yjn GLYCOSYLTRANSFERASE

(Saccharopolyspora
erythraea) 		PF06722
(DUF1205) 		5 VAL A 163
ALA A 161
SER A 138
SER A 128
THR A 166
 None
 0.95A 4ky8A-2yjnA:
undetectable		 4ky8A-2yjnA:
22.28
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.
3cex UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF04978
(DUF664) 		5 ASP A  12
LEU A  11
SER A   7
ILE A  56
LEU A 145
 None
 1.01A 4ky8A-3cexA:
undetectable		 4ky8A-3cexA:
16.12
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.
3d3y UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF05193
(Peptidase_M16_C) 		5 VAL A 314
LEU A 327
SER A 331
ILE A 240
THR A 316
 None
 0.90A 4ky8A-3d3yA:
undetectable		 4ky8A-3d3yA:
22.18
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.
3dfr DIHYDROFOLATE
REDUCTASE

(Lactobacillus
casei) 		PF00186
(DHFR_1) 		8 ALA A   6
LEU A  19
ASP A  26
LEU A  27
SER A  48
LEU A  54
ARG A  57
THR A 116
 MTX  A 164 (-3.8A)
MTX  A 164 (-4.5A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.5A)
MTX  A 164 (-3.5A)
MTX  A 164 ( 4.4A)
MTX  A 164 ( 2.9A)
MTX  A 164 ( 4.3A)
 0.80A 4ky8A-3dfrA:
14.4		 4ky8A-3dfrA:
13.90
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.
3dg8 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Plasmodium
falciparum) 		PF00186
(DHFR_1) 		8 ALA A  16
LEU A  46
ASP A  54
SER A 111
ILE A 112
LEU A 119
ARG A 122
THR A 185
 RJ6  A 609 (-3.7A)
RJ6  A 609 (-3.8A)
RJ6  A 609 (-3.0A)
RJ6  A 609 ( 3.8A)
RJ6  A 609 (-4.8A)
RJ6  A 609 (-4.4A)
None
RJ6  A 609 ( 4.5A)
 0.72A 4ky8A-3dg8A:
16.3		 4ky8A-3dg8A:
19.32
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		6 VAL A 116
ALA A 182
LEU A 156
ILE A  14
LEU A 235
THR A 118
 None
 1.38A 4ky8A-3e1hA:
undetectable		 4ky8A-3e1hA:
21.25
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.
3emj INORGANIC
PYROPHOSPHATASE

(Rickettsia
prowazekii) 		PF00719
(Pyrophosphatase) 		5 VAL A 108
ALA A  89
LEU A 123
ILE A 134
LEU A 130
 None
 1.11A 4ky8A-3emjA:
undetectable		 4ky8A-3emjA:
18.96
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.
3h0n UNCHARACTERIZED
PROTEIN DUF1470

(Jannaschia sp.
CCS1) 		PF07336
(ABATE)
PF11706
(zf-CGNR) 		5 ALA A  49
LEU A 120
ASP A  47
LEU A  44
ILE A  37
 None
 1.13A 4ky8A-3h0nA:
undetectable		 4ky8A-3h0nA:
14.31
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.
3hag CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		5 ALA A 507
LEU A 465
ILE A 569
LEU A 541
THR A 505
 None
 1.12A 4ky8A-3hagA:
undetectable		 4ky8A-3hagA:
22.24
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.
3hgq HDA1 COMPLEX SUBUNIT
3

(Saccharomyces
cerevisiae) 		PF11496
(HDA2-3) 		5 ALA A 240
LEU A 277
ILE A  48
LEU A  91
THR A  35
 None
 1.05A 4ky8A-3hgqA:
undetectable		 4ky8A-3hgqA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
ASP X  27
ILE X  50
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.70A 4ky8A-3i8aX:
9.3		 4ky8A-3i8aX:
18.29
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		7 ALA X   7
LEU X  20
ASP X  27
LEU X  28
ILE X  50
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
N22  X 219 (-4.6A)
None
N22  X 219 (-4.4A)
 0.72A 4ky8A-3i8aX:
9.3		 4ky8A-3i8aX:
18.29
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
ASP X  27
LEU X  28
LYS X  29
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-2.8A)
N22  X 219 (-4.4A)
None
N22  X 219 (-4.4A)
 0.78A 4ky8A-3i8aX:
9.3		 4ky8A-3i8aX:
18.29
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
LEU X  20
SER X  49
ILE X  50
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 ( 4.6A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
N22  X 219 (-4.4A)
 0.85A 4ky8A-3i8aX:
9.3		 4ky8A-3i8aX:
18.29
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.
3i8a DIHYDROFOLATE
REDUCTASE

(Staphylococcus
aureus) 		PF00186
(DHFR_1) 		6 ALA X   7
SER X  49
ILE X  50
LEU X  54
ARG X  57
THR X 111
 N22  X 219 ( 3.6A)
N22  X 219 (-3.3A)
N22  X 219 (-4.6A)
None
None
N22  X 219 (-4.4A)
 0.95A 4ky8A-3i8aX:
9.3		 4ky8A-3i8aX:
18.29
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.
3ia4 DIHYDROFOLATE
REDUCTASE

(Moritella
profunda) 		PF00186
(DHFR_1) 		7 ALA A   8
LEU A  29
SER A  50
ILE A  51
LEU A  55
ARG A  58
THR A 115
 MTX  A 164 ( 3.7A)
MTX  A 164 (-4.0A)
NDP  A 163 ( 3.8A)
MTX  A 164 (-4.1A)
MTX  A 164 ( 4.4A)
MTX  A 164 (-2.9A)
MTX  A 164 (-4.3A)
 0.48A 4ky8A-3ia4A:
14.5		 4ky8A-3ia4A:
15.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ix9 DIHYDROFOLATE
REDUCTASE

(Streptococcus
pneumoniae) 		PF00186
(DHFR_1) 		6 ALA A  10
LEU A  23
LEU A  31
LEU A  58
ARG A  61
THR A 119
 MTX  A 200 (-3.8A)
NDP  A 193 ( 4.1A)
MTX  A 200 ( 4.1A)
MTX  A 200 ( 4.0A)
MTX  A 200 (-2.9A)
MTX  A 200 ( 4.5A)
 0.57A 4ky8A-3ix9A:
14.9		 4ky8A-3ix9A:
16.50
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) 		7 ALA A  16
ASP A  37
SER A  72
ILE A  73
LEU A  80
ARG A  83
THR A 144
 NAP  A 512 (-3.7A)
None
NAP  A 512 ( 4.2A)
None
None
None
None
 0.57A 4ky8A-3kjrA:
44.1		 4ky8A-3kjrA:
46.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3km2 SUPEROXIDE DISMUTASE
[CU-ZN],
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00080
(Sod_Cu) 		5 LEU A   9
LYS A  10
ILE A  87
LEU A  38
THR A  60
 None
 0.99A 4ky8A-3km2A:
undetectable		 4ky8A-3km2A:
15.53
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.
3lke ENOYL-COA HYDRATASE

(Bacillus
halodurans) 		PF00378
(ECH_1) 		5 ASP A  80
LEU A  83
SER A 144
ILE A 143
LEU A 251
 None
 0.88A 4ky8A-3lkeA:
undetectable		 4ky8A-3lkeA:
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.
3n6o GUANINE NUCLEOTIDE
EXCHANGE FACTOR

(Legionella
pneumophila) 		PF14860
(DrrA_P4M) 		5 ALA A 492
LEU A 530
SER A 624
ILE A 571
LEU A 604
 None
 1.03A 4ky8A-3n6oA:
undetectable		 4ky8A-3n6oA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3npg UNCHARACTERIZED
DUF364 FAMILY
PROTEIN

(Pyrococcus
horikoshii) 		PF04016
(DUF364)
PF13938
(DUF4213) 		5 ALA A 171
LEU A 214
SER A  92
ILE A  96
LEU A  98
 ACT  A 251 (-3.2A)
None
None
None
None
 1.08A 4ky8A-3npgA:
undetectable		 4ky8A-3npgA:
20.54
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.
3ohw PHYCOBILISOME LCM
CORE-MEMBRANE LINKER
POLYPEPTIDE

(Synechocystis
sp. PCC 6803) 		no annotation 6 VAL B 735
LEU B 781
LEU B 763
LYS B 766
SER B 765
ILE B 756
 None
 1.14A 4ky8A-3ohwB:
undetectable		 4ky8A-3ohwB:
15.83
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 VAL A  32
ALA A  34
ASP A  54
LEU A  97
ARG A 100
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
None
None
WRA  A 602 (-4.2A)
 0.51A 4ky8A-3rg9A:
15.6		 4ky8A-3rg9A:
18.90
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.
3rg9 BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
brucei) 		PF00186
(DHFR_1) 		6 VAL A  32
ALA A  34
ASP A  54
SER A  89
ARG A 100
THR A 184
 WRA  A 602 (-4.3A)
WRA  A 602 (-3.9A)
WRA  A 602 (-2.9A)
WRA  A 602 ( 4.2A)
None
WRA  A 602 (-4.2A)
 0.58A 4ky8A-3rg9A:
15.6		 4ky8A-3rg9A:
18.90
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.
3tq9 DIHYDROFOLATE
REDUCTASE

(Coxiella
burnetii) 		PF00186
(DHFR_1) 		9 ALA A   8
LEU A  21
ASP A  28
LEU A  29
SER A  50
ILE A  51
LEU A  55
ARG A  58
THR A 115
 MTX  A2001 ( 3.4A)
MTX  A2001 (-4.4A)
MTX  A2001 (-2.7A)
MTX  A2001 (-3.9A)
NDP  A1001 ( 3.0A)
MTX  A2001 (-4.3A)
MTX  A2001 ( 4.5A)
MTX  A2001 (-2.8A)
MTX  A2001 (-4.3A)
 0.72A 4ky8A-3tq9A:
8.7		 4ky8A-3tq9A:
19.32
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.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		5 VAL A 107
ALA A  88
LEU A 122
ILE A 133
LEU A 129
 None
 0.99A 4ky8A-3tr4A:
undetectable		 4ky8A-3tr4A:
17.30
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 LEU A  46
ASP A  54
SER A 111
ILE A 112
LEU A 119
ARG A 122
THR A 185
 NDP  A 610 (-4.4A)
1CY  A 609 (-2.9A)
1CY  A 609 ( 4.4A)
1CY  A 609 (-4.4A)
None
None
1CY  A 609 (-4.3A)
 0.82A 4ky8A-3um6A:
39.5		 4ky8A-3um6A:
40.26
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.
3vco DIHYDROFOLATE
REDUCTASE

(Schistosoma
mansoni) 		PF00186
(DHFR_1) 		8 VAL A   6
ALA A   8
ASP A  28
SER A  56
ILE A  57
LEU A  64
ARG A  67
THR A 133
 None
 0.70A 4ky8A-3vcoA:
13.7		 4ky8A-3vcoA:
16.64
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.
3vz0 PUTATIVE
NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF00171
(Aldedh) 		5 ALA A 143
LEU A  93
LEU A 171
LYS A 170
ILE A  86
 None
 0.92A 4ky8A-3vz0A:
undetectable		 4ky8A-3vz0A:
21.60
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 VAL A 198
ALA A 200
LEU A 209
LEU A 231
THR A 174
 None
 1.13A 4ky8A-3x43A:
undetectable		 4ky8A-3x43A:
18.88
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 LEU A 470
LEU A 502
SER A 504
ILE A 485
LEU A 564
 None
 1.13A 4ky8A-4bx9A:
undetectable		 4ky8A-4bx9A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ALA X  12
LEU X  25
SER X  64
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
TOP  X 301 ( 4.0A)
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.68A 4ky8A-4g8zX:
15.6		 4ky8A-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ALA X  12
LYS X  30
SER X  64
ILE X  65
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
TOP  X 301 (-4.5A)
 1.02A 4ky8A-4g8zX:
15.6		 4ky8A-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		7 ALA X  12
SER X  37
SER X  64
ILE X  65
LEU X  72
ARG X  75
THR X 144
 NDP  X 302 ( 3.8A)
None
TOP  X 301 (-3.3A)
TOP  X 301 ( 4.3A)
None
None
TOP  X 301 (-4.5A)
 0.84A 4ky8A-4g8zX:
15.6		 4ky8A-4g8zX:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4grc PUTATIVE MEMBRANE
PROTEIN

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		5 VAL A  92
LEU A 148
LEU A 415
SER A 413
ILE A 142
 None
 1.11A 4ky8A-4grcA:
undetectable		 4ky8A-4grcA:
20.59
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.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ALA A  11
ILE A  62
LEU A  69
ARG A  72
THR A 133
 14Q  A 202 ( 3.7A)
14Q  A 202 ( 4.8A)
None
None
14Q  A 202 ( 4.6A)
 0.53A 4ky8A-4h96A:
14.9		 4ky8A-4h96A:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h96 DIHYDROFOLATE
REDUCTASE

(Candida
albicans) 		PF00186
(DHFR_1) 		5 ALA A  11
SER A  61
ILE A  62
LEU A  69
ARG A  72
 14Q  A 202 ( 3.7A)
14Q  A 202 (-3.9A)
14Q  A 202 ( 4.8A)
None
None
 0.77A 4ky8A-4h96A:
14.9		 4ky8A-4h96A:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h98 DIHYDROFOLATE
REDUCTASE

([Candida]
glabrata) 		PF00186
(DHFR_1) 		7 ALA A  11
LEU A  25
SER A  61
ILE A  62
LEU A  69
ARG A  72
THR A 140
 14Q  A 302 ( 3.4A)
14Q  A 302 ( 4.1A)
14Q  A 302 (-2.6A)
14Q  A 302 (-4.2A)
None
None
14Q  A 302 (-4.2A)
 0.64A 4ky8A-4h98A:
16.0		 4ky8A-4h98A:
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.
4ikm MALTOSE-BINDING
PERIPLASMIC PROTEIN,
CASPASE RECRUITMENT
DOMAIN-CONTAINING
PROTEIN 8

(Escherichia
coli;
Homo sapiens) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 LEU A 396
LEU A 423
SER A 441
ILE A 442
LEU A 382
 None
 1.05A 4ky8A-4ikmA:
undetectable		 4ky8A-4ikmA:
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.
4l0o CYSTATHIONINE
GAMMA-SYNTHASE

(Helicobacter
pylori) 		no annotation 5 VAL H 269
LEU H 314
LEU H 358
SER H 298
ILE H 332
 None
 1.13A 4ky8A-4l0oH:
undetectable		 4ky8A-4l0oH:
22.50
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.
4l3n S PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF09408
(Spike_rec_bind) 		5 VAL A 420
LEU A 388
LEU A 414
LYS A 413
ILE A 573
 None
None
None
NAG  A1001 (-2.9A)
None
 1.08A 4ky8A-4l3nA:
undetectable		 4ky8A-4l3nA:
16.54
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.
4lxr PROTEIN TOLL

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 381
LEU A 397
SER A 422
ILE A 405
LEU A 445
 None
 1.12A 4ky8A-4lxrA:
undetectable		 4ky8A-4lxrA:
20.43
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.
4m2x DIHYDROFOLATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
SER A  49
LEU A  57
ARG A  60
THR A 113
 TMQ  A 202 ( 3.5A)
TMQ  A 202 ( 2.7A)
NDP  A 201 (-3.6A)
None
None
TMQ  A 202 (-4.2A)
 0.70A 4ky8A-4m2xA:
14.2		 4ky8A-4m2xA:
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.
4m7v DIHYDROFOLATE
REDUCTASE

(Enterococcus
faecalis) 		PF00186
(DHFR_1) 		8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
LEU A  55
ARG A  58
THR A 116
 RAR  A 200 ( 3.6A)
RAR  A 200 ( 3.7A)
RAR  A 200 (-2.6A)
RAR  A 200 (-3.8A)
RAR  A 200 ( 4.2A)
RAR  A 200 (-4.2A)
RAR  A 200 ( 3.2A)
RAR  A 200 (-4.4A)
 0.74A 4ky8A-4m7vA:
14.5		 4ky8A-4m7vA:
16.87
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.
4n9x PUTATIVE
MONOOXYGENASE

(Pectobacterium
atrosepticum) 		PF01494
(FAD_binding_3) 		5 LEU A  32
LEU A 155
LYS A   1
SER A   3
THR A 128
 None
 1.12A 4ky8A-4n9xA:
undetectable		 4ky8A-4n9xA:
20.79
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.
4p68 DIHYDROFOLATE
REDUCTASE

(Escherichia
coli) 		PF00186
(DHFR_1) 		6 ALA A   7
ASP A  27
SER A  49
ILE A  50
ARG A  57
THR A 113
 MTX  A 201 ( 4.0A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 3.7A)
MTX  A 201 (-4.7A)
MTX  A 201 (-3.0A)
MTX  A 201 ( 4.5A)
 0.57A 4ky8A-4p68A:
14.6		 4ky8A-4p68A:
16.60
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 LEU A2397
LEU A2331
LYS A2330
ILE A2402
LEU A2358
 None
 1.04A 4ky8A-4rh7A:
undetectable		 4ky8A-4rh7A:
9.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpc PUTATIVE ALPHA/BETA
HYDROLASE

(Desulfitobacterium
hafniense) 		PF12697
(Abhydrolase_6) 		5 LEU A 115
SER A  97
SER A 224
ILE A 223
LEU A 191
 None
 0.85A 4ky8A-4rpcA:
undetectable		 4ky8A-4rpcA:
18.53
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.
4w5k ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Trypanosoma
brucei) 		PF00155
(Aminotran_1_2) 		5 LEU A 371
LEU A  25
SER A 380
ILE A 383
LEU A 344
 None
 1.10A 4ky8A-4w5kA:
undetectable		 4ky8A-4w5kA:
20.37
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.
4y05 KINESIN-LIKE PROTEIN
KIF2C

(Homo sapiens) 		PF00225
(Kinesin) 		5 ALA A 329
LYS A 341
SER A 557
ILE A 527
LEU A 530
 None
 1.08A 4ky8A-4y05A:
undetectable		 4ky8A-4y05A:
21.81
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.
4yhj G PROTEIN-COUPLED
RECEPTOR KINASE 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 ALA A 289
LEU A 272
LEU A 375
ILE A 328
LEU A 300
 None
 1.13A 4ky8A-4yhjA:
undetectable		 4ky8A-4yhjA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8j VWA2

(Sulfolobus
acidocaldarius) 		PF00092
(VWA) 		5 VAL A  27
ALA A 241
LEU A 254
LYS A 255
SER A 274
 None
 0.99A 4ky8A-5a8jA:
undetectable		 4ky8A-5a8jA:
23.93
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.
5bz4 BETA-KETOTHIOLASE

(Mycolicibacterium
smegmatis) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		6 VAL A  12
ALA A 262
LEU A  55
LEU A  36
LYS A  37
THR A  14
 None
 1.40A 4ky8A-5bz4A:
undetectable		 4ky8A-5bz4A:
21.32
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		6 ALA A   7
SER A  66
ILE A  67
LEU A  71
ARG A  74
THR A 130
 NAP  A 201 (-3.7A)
NAP  A 201 ( 4.9A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 0.65A 4ky8A-5dxvA:
4.8		 4ky8A-5dxvA:
13.78
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.
5dxv RETHREADED DHFR

(synthetic
construct) 		PF00186
(DHFR_1) 		5 LEU A  45
ILE A  67
LEU A  71
ARG A  74
THR A 130
 PEG  A 202 (-4.2A)
PEG  A 202 ( 4.9A)
None
None
CME  A 140 ( 4.5A)
 1.08A 4ky8A-5dxvA:
4.8		 4ky8A-5dxvA:
13.78
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.
5fda DIHYDROFOLATE
REDUCTASE

(Yersinia pestis) 		PF00186
(DHFR_1) 		6 ALA A   8
SER A  50
ILE A  51
LEU A  55
ARG A  58
THR A 114
 None
 1.16A 4ky8A-5fdaA:
3.9		 4ky8A-5fdaA:
16.80
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.
5gzy (R)-2-HALOACID
DEHALOGENASE

(Pseudomonas
putida) 		PF10778
(DehI) 		5 ALA A 234
LEU A  93
LEU A 290
ILE A  86
LEU A 135
 None
 1.03A 4ky8A-5gzyA:
undetectable		 4ky8A-5gzyA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i5d INNER MEMBRANE
PROTEIN YEJM

(Salmonella
enterica) 		PF00884
(Sulfatase)
PF11893
(DUF3413) 		5 ALA A 420
LEU A 270
LEU A 282
ILE A 265
LEU A 431
 None
 1.11A 4ky8A-5i5dA:
undetectable		 4ky8A-5i5dA:
20.95
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) 		9 VAL A   8
ALA A  10
LEU A  23
ASP A  31
SER A  36
SER A  86
LEU A  94
ARG A  97
THR A 172
 73X  A 704 (-3.7A)
73X  A 704 (-4.0A)
None
73X  A 704 (-2.8A)
None
NDP  A 702 (-3.8A)
None
None
73X  A 704 (-4.2A)
 0.69A 4ky8A-5t0lA:
44.3		 4ky8A-5t0lA:
44.48
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 5 ALA A 235
LEU A 247
SER A 151
ILE A 196
LEU A 219
 None
 1.06A 4ky8A-5wabA:
undetectable		 4ky8A-5wabA:
11.44
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.
5xmi VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF04212
(MIT) 		6 VAL A 130
ALA A 187
LEU A 273
LEU A 145
ILE A 296
LEU A 138
 None
 1.45A 4ky8A-5xmiA:
undetectable		 4ky8A-5xmiA:
23.23
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.
5xni MCYF

(Microcystis
aeruginosa) 		no annotation 5 LEU A 182
LEU A 126
SER A 195
ILE A 175
LEU A 166
 None
None
DGL  A 301 (-2.8A)
None
None
 1.11A 4ky8A-5xniA:
undetectable		 4ky8A-5xniA:
9.40
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.
6b0t FASCIN

(Homo sapiens) 		no annotation 5 ALA A 242
LEU A 196
SER A 187
ILE A 144
LEU A 179
 None
 1.03A 4ky8A-6b0tA:
undetectable		 4ky8A-6b0tA:
10.64
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 6 ALA A   8
ASP A  28
SER A  50
LEU A  58
ARG A  61
THR A 111
 NAP  A 201 (-3.9A)
MMV  A 202 (-2.9A)
NAP  A 201 ( 3.9A)
MMV  A 202 (-4.2A)
MMV  A 202 (-2.8A)
MMV  A 202 (-4.4A)
 0.74A 4ky8A-6cxmA:
2.4		 4ky8A-6cxmA:
10.27
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.
6e4e -

(-) 		no annotation 8 ALA A   7
LEU A  20
ASP A  27
LEU A  28
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.73A 4ky8A-6e4eA:
9.2		 4ky8A-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.
6e4e -

(-) 		no annotation 6 ALA A   7
LEU A  20
ASP A  27
LEU A  28
LYS A  29
THR A 111
 MMV  A 202 ( 3.5A)
MMV  A 202 (-4.3A)
MMV  A 202 (-2.9A)
MMV  A 202 (-4.2A)
None
MMV  A 202 (-4.3A)
 1.11A 4ky8A-6e4eA:
9.2		 4ky8A-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.
6e4e -

(-) 		no annotation 6 ALA A   7
SER A  49
ILE A  50
LEU A  54
ARG A  57
THR A 111
 MMV  A 202 ( 3.5A)
NAP  A 201 (-4.2A)
MMV  A 202 ( 4.9A)
None
None
MMV  A 202 (-4.3A)
 0.85A 4ky8A-6e4eA:
9.2		 4ky8A-6e4eA:
undetectable