SIMILAR PATTERNS OF AMINO ACIDS FOR 4DA7_A_AC2A301_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		7 ARG A  86
GLY A  91
VAL A 179
GLU A 180
MET A 181
GLU A 182
SER A 204
 SO4  A 250 ( 3.1A)
FMB  A 270 (-3.3A)
FMB  A 270 (-4.6A)
FMB  A 270 (-4.6A)
FMB  A 270 (-3.8A)
FMB  A 270 (-2.8A)
FMB  A 270 (-3.2A)
 0.68A 4da7A-1jdzA:
32.9		 4da7A-1jdzA:
31.01
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.
1m33 BIOH PROTEIN

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		5 ALA A  65
VAL A  68
MET A  64
SER A  53
VAL A  45
 None
 1.22A 4da7A-1m33A:
undetectable		 4da7A-1m33A:
22.84
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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 GLY A 326
ALA A 341
GLU A 293
SER A 255
VAL A 567
 None
 1.14A 4da7A-1n21A:
undetectable		 4da7A-1n21A:
18.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		7 MET A  65
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 ADN  A1237 (-4.1A)
SO4  A1236 ( 2.8A)
ADN  A1237 (-3.4A)
ADN  A1237 (-4.9A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
ADN  A1237 ( 3.7A)
 0.45A 4da7A-1odiA:
35.3		 4da7A-1odiA:
36.22
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.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		5 GLY A  99
ALA A 110
VAL A 108
SER A  74
VAL A 101
 None
 1.05A 4da7A-1pixA:
3.0		 4da7A-1pixA:
19.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		7 ARG A  87
GLY A 177
ALA A 156
VAL A 178
GLU A 179
MET A 180
GLU A 181
 PO4  A 309 ( 2.8A)
None
2FA  A 306 ( 4.2A)
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
 1.26A 4da7A-1pk9A:
37.1		 4da7A-1pk9A:
53.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		6 ARG A  87
GLY A 177
ALA A 156
VAL A 178
GLU A 179
VAL A  94
 PO4  A 309 ( 2.8A)
None
2FA  A 306 ( 4.2A)
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
None
 1.23A 4da7A-1pk9A:
37.1		 4da7A-1pk9A:
53.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		9 MET A  64
ARG A  87
GLY A  92
ALA A 156
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
 2FA  A 306 (-3.6A)
PO4  A 309 ( 2.8A)
2FA  A 306 (-3.5A)
2FA  A 306 ( 4.2A)
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
2FA  A 306 ( 3.9A)
 0.42A 4da7A-1pk9A:
37.1		 4da7A-1pk9A:
53.15
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.
1r2j PROTEIN FKBI

(Streptomyces
hygroscopicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ARG A 241
GLY A 235
ALA A 279
VAL A 234
GLU A 275
 None
 1.26A 4da7A-1r2jA:
undetectable		 4da7A-1r2jA:
22.02
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.
1v26 LONG-CHAIN-FATTY-ACI
D-COA SYNTHETASE

(Thermus
thermophilus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 GLY A 358
ALA A 420
VAL A 428
GLU A 429
VAL A 334
 None
 1.00A 4da7A-1v26A:
undetectable		 4da7A-1v26A:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wdw TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Pyrococcus
furiosus) 		PF00290
(Trp_syntA) 		5 ARG A  76
GLY A 111
ALA A  34
VAL A  84
VAL A 137
 None
 1.31A 4da7A-1wdwA:
undetectable		 4da7A-1wdwA:
21.30
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.
1ybf AMP NUCLEOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01048
(PNP_UDP_1) 		5 MET A  71
GLY A  98
VAL A 184
MET A 186
SER A 209
 None
 0.97A 4da7A-1ybfA:
23.0		 4da7A-1ybfA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 GLY A 287
ALA A 352
GLU A 289
MET A 290
VAL A 286
 None
 1.22A 4da7A-1yx2A:
undetectable		 4da7A-1yx2A:
20.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		8 MET A  64
ARG A  87
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
 2FD  A 300 (-3.8A)
2FD  A 300 ( 4.5A)
2FD  A 300 (-3.1A)
2FD  A 300 (-4.7A)
None
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
2FD  A 300 (-3.6A)
 0.45A 4da7A-1z34A:
36.6		 4da7A-1z34A:
46.51
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.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 MTM  A 301 (-3.6A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
MTM  A 301 (-3.4A)
 0.69A 4da7A-1zosA:
22.8		 4da7A-1zosA:
24.06
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ARG A 236
GLY A 329
VAL A 328
GLU A 372
VAL A 395
 None
 0.95A 4da7A-2bklA:
2.6		 4da7A-2bklA:
17.16
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.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A  93
VAL A 181
GLU A 182
MET A 183
GLU A 184
 NOS  A1248 ( 4.5A)
NOS  A1248 (-4.0A)
NOS  A1248 ( 4.4A)
None
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.55A 4da7A-2bsxA:
31.3		 4da7A-2bsxA:
23.81
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.
2guh PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		5 GLY A  87
ALA A  95
VAL A  91
GLU A 174
VAL A 184
 None
 1.30A 4da7A-2guhA:
undetectable		 4da7A-2guhA:
23.85
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.
2jjf L-LYSINE EPSILON
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 ARG A 404
ALA A 444
VAL A 448
GLU A 401
VAL A 378
 None
 1.19A 4da7A-2jjfA:
undetectable		 4da7A-2jjfA:
19.06
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.
2khj 30S RIBOSOMAL
PROTEIN S1

(Escherichia
coli) 		PF00575
(S1) 		5 GLY A  17
ALA A  27
VAL A  29
GLU A  36
VAL A  62
 None
 1.22A 4da7A-2khjA:
undetectable		 4da7A-2khjA:
26.27
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.
2khj 30S RIBOSOMAL
PROTEIN S1

(Escherichia
coli) 		PF00575
(S1) 		5 GLY A  17
ALA A  44
VAL A  62
GLU A  63
VAL A  29
 None
 1.25A 4da7A-2khjA:
undetectable		 4da7A-2khjA:
26.27
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.
2pcs CONSERVED PROTEIN

(Geobacillus
kaustophilus) 		PF06240
(COXG) 		5 GLY A 114
ALA A 111
VAL A 113
GLU A 112
VAL A 117
 None
UNL  A 161 ( 4.9A)
None
None
UNL  A 161 ( 4.9A)
 1.15A 4da7A-2pcsA:
undetectable		 4da7A-2pcsA:
20.90
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.
2q2b CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Mus musculus) 		PF03061
(4HBT) 		5 GLY A 252
ALA A 286
VAL A 266
GLU A 265
VAL A 215
 None
 1.13A 4da7A-2q2bA:
undetectable		 4da7A-2q2bA:
20.16
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.
2q7v THIOREDOXIN
REDUCTASE

(Deinococcus
radiodurans) 		PF07992
(Pyr_redox_2) 		5 GLY A 168
ALA A 189
VAL A 165
GLU A 166
VAL A 180
 None
 1.14A 4da7A-2q7vA:
undetectable		 4da7A-2q7vA:
24.70
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.
2qq2 CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Homo sapiens) 		PF03061
(4HBT) 		5 GLY A 284
ALA A 318
VAL A 298
GLU A 297
VAL A 247
 None
 1.17A 4da7A-2qq2A:
undetectable		 4da7A-2qq2A:
25.00
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.
2qqu BETA-FRUCTOFURANOSID
ASE

(Arabidopsis
thaliana) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ARG A 320
ALA A 481
VAL A 488
GLU A 489
VAL A 503
 None
 1.22A 4da7A-2qquA:
undetectable		 4da7A-2qquA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v4v GH59 GALACTOSIDASE

([Clostridium]
cellulolyticum) 		PF03422
(CBM_6) 		5 GLY A 972
ALA A 924
VAL A 971
GLU A1050
VAL A1020
 None
 1.10A 4da7A-2v4vA:
undetectable		 4da7A-2v4vA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274) 		PF00067
(p450) 		5 GLY A 246
ALA A  89
VAL A  93
GLU A  95
VAL A 249
 None
 1.20A 4da7A-2z3tA:
undetectable		 4da7A-2z3tA:
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.
2zyl POSSIBLE
OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF00355
(Rieske) 		5 GLY A  42
ALA A  45
VAL A  43
GLU A  44
VAL A  52
 None
 1.06A 4da7A-2zylA:
undetectable		 4da7A-2zylA:
20.73
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.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		8 MET A  87
ARG A 137
GLY A 142
ALA A 239
GLU A 284
MET A 285
GLU A 286
SER A 309
 R1P  A 401 ( 3.9A)
R1P  A 401 (-3.0A)
URA  A 501 (-3.4A)
None
R1P  A 401 ( 4.6A)
R1P  A 401 ( 3.9A)
R1P  A 401 (-2.6A)
URA  A 501 (-3.2A)
 0.96A 4da7A-3bjeA:
28.1		 4da7A-3bjeA:
27.25
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.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		6 GLY A  77
VAL A 170
GLU A 171
MET A 172
GLU A 173
SER A 195
 FMC  A 229 (-3.6A)
FMC  A 229 ( 4.7A)
FMC  A 229 (-4.7A)
FMC  A 229 (-3.5A)
FMC  A 229 (-2.5A)
FMC  A 229 (-3.5A)
 0.54A 4da7A-3bl6A:
25.1		 4da7A-3bl6A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cf4 ACETYL-COA
DECARBOXYLASE/SYNTHA
SE ALPHA SUBUNIT

(Methanosarcina
barkeri) 		PF03063
(Prismane) 		5 MET A 490
GLY A 495
ALA A 228
SER A 589
VAL A 216
 None
 1.13A 4da7A-3cf4A:
undetectable		 4da7A-3cf4A:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
 BIG  A 301 (-3.7A)
BIG  A 301 (-4.9A)
None
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
BIG  A 301 (-3.3A)
 0.58A 4da7A-3dp9A:
24.3		 4da7A-3dp9A:
22.88
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.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		6 GLY A  81
VAL A 175
GLU A 176
MET A 177
GLU A 178
SER A 200
 MTM  A 234 (-3.9A)
MTM  A 234 ( 4.9A)
MTM  A 234 (-4.6A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
MTM  A 234 (-3.4A)
 0.55A 4da7A-3eeiA:
24.1		 4da7A-3eeiA:
24.62
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.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		6 ARG A  89
GLY A  94
VAL A 182
GLU A 183
MET A 184
GLU A 185
 SO4  A 254 (-3.2A)
None
None
None
None
None
 0.39A 4da7A-3emvA:
31.5		 4da7A-3emvA:
24.00
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.
3euf URIDINE
PHOSPHORYLASE 1

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		6 MET A 110
ARG A 138
GLY A 143
GLU A 248
MET A 249
GLU A 250
 BAU  A 400 (-3.5A)
PO4  A 401 (-3.0A)
BAU  A 400 (-3.3A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
 0.38A 4da7A-3eufA:
24.9		 4da7A-3eufA:
27.05
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.
3hl4 CHOLINE-PHOSPHATE
CYTIDYLYLTRANSFERASE
A

(Rattus
norvegicus) 		PF01467
(CTP_transf_like) 		5 GLY A 111
ALA A  45
VAL A 145
GLU A 144
VAL A 112
 None
 1.29A 4da7A-3hl4A:
undetectable		 4da7A-3hl4A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 4
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 5

(Thermus
thermophilus) 		PF00329
(Complex1_30kDa)
PF00346
(Complex1_49kDa) 		5 ARG 4 409
GLY 5  54
VAL 5 118
GLU 5 117
VAL 5  70
 None
 1.27A 4da7A-3i9v4:
undetectable		 4da7A-3i9v4:
19.51
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.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		5 GLY X 412
ALA X 409
GLU X 410
SER X  82
VAL X 376
 None
 1.06A 4da7A-3ighX:
undetectable		 4da7A-3ighX:
20.28
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.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		6 MET A 109
ARG A 137
GLY A 142
GLU A 247
MET A 248
GLU A 249
 R2B  A 313 (-3.9A)
SO4  A 311 ( 3.0A)
URA  A 312 (-3.3A)
R2B  A 313 ( 4.4A)
URA  A 312 ( 3.7A)
R2B  A 313 (-2.6A)
 0.35A 4da7A-3kvyA:
25.0		 4da7A-3kvyA:
25.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3moy PROBABLE ENOYL-COA
HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 GLY A  17
ALA A 102
VAL A  55
SER A  10
VAL A  16
 None
None
None
GOL  A 264 (-4.7A)
None
 1.30A 4da7A-3moyA:
undetectable		 4da7A-3moyA:
23.63
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.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
VAL A 171
GLU A 172
MET A 173
GLU A 174
SER A 196
 4CT  A 233 (-3.8A)
4CT  A 233 ( 4.9A)
None
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
4CT  A 233 (-3.3A)
 0.47A 4da7A-3o4vA:
24.2		 4da7A-3o4vA:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		7 ARG A 101
GLY A 191
ALA A 170
VAL A 192
GLU A 193
GLU A 195
VAL A 108
 PO4  A 501 (-2.8A)
None
DIH  A 500 ( 4.8A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-2.9A)
None
 1.27A 4da7A-3of3A:
36.5		 4da7A-3of3A:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		7 ARG A 101
GLY A 191
ALA A 170
VAL A 192
GLU A 193
MET A 194
GLU A 195
 PO4  A 501 (-2.8A)
None
DIH  A 500 ( 4.8A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
 1.26A 4da7A-3of3A:
36.5		 4da7A-3of3A:
50.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		9 MET A  78
ARG A 101
GLY A 106
ALA A 170
VAL A 192
GLU A 193
MET A 194
GLU A 195
SER A 217
 DIH  A 500 (-3.6A)
PO4  A 501 (-2.8A)
DIH  A 500 (-4.0A)
DIH  A 500 ( 4.8A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
DIH  A 500 (-3.3A)
 0.45A 4da7A-3of3A:
36.5		 4da7A-3of3A:
50.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		6 MET A 116
ARG A 144
GLY A 149
GLU A 254
MET A 255
GLU A 256
 BAU  A 400 (-3.4A)
None
BAU  A 400 (-3.5A)
None
BAU  A 400 (-3.9A)
None
 0.42A 4da7A-3p0fA:
24.6		 4da7A-3p0fA:
26.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3qpb URIDINE
PHOSPHORYLASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 ARG A  94
GLY A  99
GLU A 196
MET A 197
GLU A 198
 R1P  A1254 (-3.1A)
URA  A1255 (-3.2A)
R1P  A1254 ( 4.4A)
R1P  A1254 (-3.9A)
R1P  A1254 (-2.6A)
 0.37A 4da7A-3qpbA:
30.3		 4da7A-3qpbA:
34.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl6 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Entamoeba
histolytica) 		PF01048
(PNP_UDP_1) 		9 MET A  69
ARG A  92
GLY A  97
ALA A 161
VAL A 182
GLU A 183
MET A 184
GLU A 185
SER A 207
 None
SO4  A 239 (-3.2A)
None
None
None
None
None
SO4  A 239 ( 4.4A)
None
 0.57A 4da7A-3tl6A:
35.0		 4da7A-3tl6A:
43.31
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.
3tv2 FUMARATE HYDRATASE,
CLASS II

(Burkholderia
pseudomallei) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ARG A 514
ALA A 292
VAL A 509
GLU A 183
VAL A 487
 None
 1.12A 4da7A-3tv2A:
undetectable		 4da7A-3tv2A:
19.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		9 MET A  64
ARG A  87
GLY A  92
ALA A 156
VAL A 178
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
SO4  A 236 (-2.7A)
None
None
None
None
None
SO4  A 236 ( 4.4A)
None
 0.52A 4da7A-3uavA:
39.2		 4da7A-3uavA:
71.37
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.
3v76 FLAVOPROTEIN

(Sinorhizobium
meliloti) 		PF03486
(HI0933_like) 		5 MET A 120
GLY A 410
ALA A  24
GLU A  23
VAL A 366
 None
 0.86A 4da7A-3v76A:
undetectable		 4da7A-3v76A:
22.90
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.
3vov GLUCOKINASE

(Thermus
thermophilus) 		PF00480
(ROK) 		5 ARG A 148
GLY A 144
ALA A 112
VAL A 141
GLU A 105
 None
 1.25A 4da7A-3vovA:
undetectable		 4da7A-3vovA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wi5 MAJOR OUTER MEMBRANE
PROTEIN P.IB

(Neisseria
meningitidis) 		PF00267
(Porin_1) 		5 GLY A 115
VAL A 116
GLU A 123
SER A 109
VAL A 271
 None
 1.23A 4da7A-3wi5A:
undetectable		 4da7A-3wi5A:
23.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ay7 METHYLCOBALAMIN:
COENZYME M
METHYLTRANSFERASE

(Methanosarcina
mazei) 		PF01208
(URO-D) 		5 ARG A 135
ALA A  71
VAL A 145
SER A 235
VAL A 238
 None
 1.27A 4da7A-4ay7A:
undetectable		 4da7A-4ay7A:
24.02
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.
4c1s GLYCOSIDE HYDROLASE
FAMILY 76
MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		5 ARG A 451
ALA A 515
VAL A 511
GLU A 512
VAL A 164
 None
 1.27A 4da7A-4c1sA:
undetectable		 4da7A-4c1sA:
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.
4c1s GLYCOSIDE HYDROLASE
FAMILY 76
MANNOSIDASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		5 ARG A 451
GLY A 508
ALA A 515
VAL A 511
GLU A 512
 None
 1.25A 4da7A-4c1sA:
undetectable		 4da7A-4c1sA:
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.
4c7v TRANSKETOLASE

(Lactobacillus
salivarius) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 221
ALA A 230
VAL A 218
GLU A 226
GLU A 225
 None
 1.26A 4da7A-4c7vA:
2.4		 4da7A-4c7vA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4crq ENDO-1,3-BETA-GLUCAN
ASE, FAMILY GH16

(Zobellia
galactanivorans) 		PF00722
(Glyco_hydro_16) 		5 GLY A 227
ALA A  76
VAL A 226
MET A 224
VAL A 235
 None
 1.12A 4da7A-4crqA:
undetectable		 4da7A-4crqA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cvc ALCOHOL
DEHYDROGENASE

(Pseudogluconobacter
saccharoketogenes) 		PF13360
(PQQ_2) 		5 GLY A 360
ALA A 351
VAL A 359
MET A 356
VAL A 363
 None
 1.29A 4da7A-4cvcA:
undetectable		 4da7A-4cvcA:
19.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		7 ARG A  87
GLY A 176
ALA A 156
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 1.30A 4da7A-4daoA:
42.4		 4da7A-4daoA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		10 MET A  64
ARG A  87
GLY A  92
ALA A 156
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
VAL A 205
 None
None
ADE  A 301 (-3.5A)
None
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
ADE  A 301 (-3.5A)
ADE  A 301 (-4.3A)
 0.39A 4da7A-4daoA:
42.4		 4da7A-4daoA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g41 MTA/SAH NUCLEOSIDASE

(Streptococcus
pyogenes) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
GLU A 172
MET A 173
GLU A 174
SER A 196
 GLY  A  78 ( 0.0A)
GLU  A 172 ( 0.5A)
MET  A 173 ( 0.0A)
GLU  A 174 ( 0.6A)
SER  A 196 ( 0.0A)
 0.77A 4da7A-4g41A:
23.8		 4da7A-4g41A:
25.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jos ADENOSYLHOMOCYSTEINE
NUCLEOSIDASE

(Francisella
philomiragia) 		PF01048
(PNP_UDP_1) 		5 GLY A  79
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 301 (-3.7A)
None
ADE  A 301 (-4.1A)
None
ADE  A 301 (-3.3A)
 0.43A 4da7A-4josA:
24.2		 4da7A-4josA:
26.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jwt METHYLTHIOADENOSINE
NUCLEOSIDASE

(Sulfurimonas
denitrificans) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
GLU A 171
MET A 172
GLU A 173
SER A 195
 ADE  A 305 (-3.6A)
None
ADE  A 305 (-4.1A)
None
ADE  A 305 (-3.2A)
 0.45A 4da7A-4jwtA:
23.5		 4da7A-4jwtA:
27.46
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.
4kn5 METHYLTHIOADENOSINE
NUCLEOSIDASE

(Weissella
paramesenteroides) 		PF01048
(PNP_UDP_1) 		5 GLY A  78
GLU A 173
MET A 174
GLU A 175
SER A 197
 EDO  A 301 (-3.3A)
None
None
None
None
 0.74A 4da7A-4kn5A:
23.1		 4da7A-4kn5A:
27.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l0m PUTATIVE
5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Borreliella
burgdorferi) 		PF01048
(PNP_UDP_1) 		5 GLY A  81
VAL A 178
MET A 180
GLU A 181
SER A 203
 ADE  A 301 (-3.6A)
None
ADE  A 301 ( 4.2A)
None
ADE  A 301 (-3.1A)
 0.47A 4da7A-4l0mA:
23.1		 4da7A-4l0mA:
27.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		7 MET A  65
ARG A  88
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
 None
PO4  A 301 (-2.9A)
None
None
None
None
PO4  A 301 ( 4.7A)
 0.52A 4da7A-4ldnA:
37.9		 4da7A-4ldnA:
50.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lkr PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		6 MET A  64
ARG A  87
GLY A  92
MET A 180
GLU A 181
SER A 203
 None
 0.48A 4da7A-4lkrA:
37.5		 4da7A-4lkrA:
49.43
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.
4lry PTS-DEPENDENT
DIHYDROXYACETONE
KINASE,
DIHYDROXYACETONE-BIN
DING SUBUNIT DHAK

(Escherichia
coli) 		PF02733
(Dak1) 		5 ARG A 225
GLY A 219
VAL A 215
GLU A 212
SER A 203
 None
 1.24A 4da7A-4lryA:
2.8		 4da7A-4lryA:
22.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		6 MET A  64
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
 0.57A 4da7A-4m3nA:
39.2		 4da7A-4m3nA:
54.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		6 MET A  64
GLY A  92
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
 0.44A 4da7A-4m3nA:
39.2		 4da7A-4m3nA:
54.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7w PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Leptotrichia
buccalis) 		PF01048
(PNP_UDP_1) 		8 MET A  65
ARG A  88
GLY A  93
VAL A 179
GLU A 180
MET A 181
GLU A 182
SER A 204
 None
PO4  A 400 (-3.0A)
None
None
None
None
PO4  A 400 ( 4.4A)
None
 0.35A 4da7A-4m7wA:
38.7		 4da7A-4m7wA:
59.00
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.
4mup AMIDOHYDROLASE

(Agrobacterium
fabrum) 		PF04909
(Amidohydro_2) 		5 ARG A 272
GLY A  20
VAL A 277
GLU A 269
VAL A 289
 None
 1.27A 4da7A-4mupA:
undetectable		 4da7A-4mupA:
26.33
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.
4mvc CHOLINE-PHOSPHATE
CYTIDYLYLTRANSFERASE
A

(Rattus
norvegicus) 		PF01467
(CTP_transf_like) 		5 GLY A 111
ALA A  45
VAL A 145
GLU A 144
VAL A 112
 None
 1.30A 4da7A-4mvcA:
undetectable		 4da7A-4mvcA:
26.89
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.
4ojh ACYLPHOSPHATASE

(Sulfolobus
solfataricus) 		PF00708
(Acylphosphatase) 		5 MET A  16
ALA A  46
VAL A  54
GLU A  55
VAL A  24
 None
 1.21A 4da7A-4ojhA:
undetectable		 4da7A-4ojhA:
18.40
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.
4pr3 5'-METHYLTHIOADENOSI
NE NUCLEOSIDASE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Brucella
melitensis) 		PF01048
(PNP_UDP_1) 		5 GLY A  67
VAL A 142
MET A 144
GLU A 145
SER A 167
 ADE  A 501 (-3.7A)
ADE  A 501 (-4.7A)
ADE  A 501 (-4.0A)
None
ADE  A 501 (-3.5A)
 0.57A 4da7A-4pr3A:
15.0		 4da7A-4pr3A:
23.70
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.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 6 GLY B  78
VAL B 172
GLU B 173
MET B 174
GLU B 175
SER B 197
 ADE  B 301 (-3.2A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
ADE  B 301 (-3.0A)
 0.66A 4da7A-4qezB:
23.5		 4da7A-4qezB:
24.30
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.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 5 GLY A  74
VAL A 135
MET A 137
GLU A 138
SER A 160
 None
 0.55A 4da7A-4qfbA:
18.4		 4da7A-4qfbA:
22.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r2w URIDINE
PHOSPHORYLASE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
GLY A  93
GLU A 193
MET A 194
GLU A 195
VAL A 218
 SO4  A 302 ( 2.8A)
None
GOL  A 303 (-4.9A)
GOL  A 303 (-3.5A)
GOL  A 303 (-2.9A)
None
 1.30A 4da7A-4r2wA:
29.8		 4da7A-4r2wA:
30.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		7 MET A  86
ARG A 109
GLY A 114
GLU A 201
MET A 202
GLU A 203
SER A 225
 None
SO4  A 301 (-2.8A)
None
None
None
SO4  A 301 ( 4.4A)
None
 0.51A 4da7A-4tymA:
37.9		 4da7A-4tymA:
52.29
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.
4uwm 3,6-DIKETOCAMPHANE
1,6 MONOOXYGENASE

(Pseudomonas
putida) 		PF00296
(Bac_luciferase) 		5 GLY A   6
ALA A 370
GLU A   4
MET A   3
VAL A 346
 None
 1.18A 4da7A-4uwmA:
undetectable		 4da7A-4uwmA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zv3 CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE

(Mus musculus) 		PF03061
(4HBT) 		5 GLY A 298
ALA A 332
VAL A 312
GLU A 311
VAL A 261
 None
 1.12A 4da7A-4zv3A:
undetectable		 4da7A-4zv3A:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 MET A 490
ALA A 539
VAL A 536
GLU A 319
VAL A 364
 None
 1.26A 4da7A-5a55A:
undetectable		 4da7A-5a55A:
12.37
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.
5b7n MTA/SAH NUCLEOSIDASE

(Aeromonas
hydrophila) 		PF01048
(PNP_UDP_1) 		5 GLY A 106
ALA A 196
GLU A 219
MET A 220
GLU A 221
 SAH  A 301 (-3.2A)
None
SAH  A 301 (-4.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.6A)
 0.70A 4da7A-5b7nA:
23.1		 4da7A-5b7nA:
25.09
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.
5b7n MTA/SAH NUCLEOSIDASE

(Aeromonas
hydrophila) 		PF01048
(PNP_UDP_1) 		5 GLY A 106
GLU A 219
MET A 220
GLU A 221
SER A 243
 SAH  A 301 (-3.2A)
SAH  A 301 (-4.9A)
SAH  A 301 (-3.6A)
SAH  A 301 (-2.6A)
SAH  A 301 ( 4.0A)
 0.45A 4da7A-5b7nA:
23.1		 4da7A-5b7nA:
25.09
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.
5c3u L-SERINE
AMMONIA-LYASE

(Rhizomucor
miehei) 		PF00291
(PALP) 		5 GLY A 181
ALA A 204
VAL A 179
SER A 147
VAL A 240
 PLP  A 401 (-3.7A)
None
PLP  A 401 ( 4.1A)
PLP  A 401 (-2.6A)
None
 1.16A 4da7A-5c3uA:
undetectable		 4da7A-5c3uA:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 ARG A 121
ALA A 194
GLU A 232
MET A 233
GLU A 234
 FLC  A 301 (-3.0A)
None
None
None
FLC  A 301 (-2.8A)
 0.36A 4da7A-5cyfA:
24.3		 4da7A-5cyfA:
26.32
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
VAL A 177
GLU A 178
MET A 179
GLU A 180
SER A 202
 ADE  A 302 (-3.6A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
ADE  A 302 (-3.2A)
 0.51A 4da7A-5dk6A:
23.6		 4da7A-5dk6A:
25.61
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.
5dx5 METHIONINE
GAMMA-LYASE

(Clostridium
sporogenes) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 326
ALA A 394
VAL A 329
SER A 354
VAL A 375
 None
 1.19A 4da7A-5dx5A:
undetectable		 4da7A-5dx5A:
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.
5k1z AMINODEOXYFUTALOSINE
NUCLEOSIDASE

(Helicobacter
pylori) 		PF01048
(PNP_UDP_1) 		6 GLY A  80
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
 4CT  A 301 (-3.4A)
4CT  A 301 ( 4.5A)
None
4CT  A 301 (-3.0A)
4CT  A 301 (-2.2A)
4CT  A 301 ( 2.8A)
 0.43A 4da7A-5k1zA:
25.0		 4da7A-5k1zA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kt0 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Trichormus
variabilis) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 GLY A  52
ALA A  58
VAL A  55
GLU A  54
VAL A  44
 None
 1.21A 4da7A-5kt0A:
2.2		 4da7A-5kt0A:
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.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 ARG A  90
GLY A  95
GLU A 195
MET A 196
GLU A 197
 SO4  A 301 ( 3.0A)
URI  A 303 ( 3.4A)
URI  A 303 ( 4.6A)
URI  A 303 ( 3.7A)
URI  A 303 (-2.7A)
 0.30A 4da7A-5lhvA:
30.5		 4da7A-5lhvA:
28.88
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.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		5 ALA A 133
VAL A 130
GLU A 129
SER A 406
VAL A 380
 None
 1.22A 4da7A-5m8jA:
undetectable		 4da7A-5m8jA:
18.62
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 GLY B 276
ALA B 283
VAL B 279
SER B 274
VAL B  49
 None
 1.13A 4da7A-5mkkB:
undetectable		 4da7A-5mkkB:
18.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tf2 PROLACTIN REGULATORY
ELEMENT-BINDING
PROTEIN

(Homo sapiens) 		PF00400
(WD40) 		5 GLY A 318
ALA A 341
VAL A 324
SER A 304
VAL A 349
 None
 1.03A 4da7A-5tf2A:
undetectable		 4da7A-5tf2A:
20.44
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM6

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 ARG 6 187
GLY 6 108
ALA 6 114
GLU 6 113
GLU 6 116
 None
 1.25A 4da7A-5udb6:
undetectable		 4da7A-5udb6:
13.37
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.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		6 GLY A  78
VAL A 172
GLU A 173
MET A 174
GLU A 175
SER A 197
 9DA  A 301 (-3.5A)
None
TRS  A 302 ( 4.6A)
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
9DA  A 301 (-3.2A)
 0.63A 4da7A-5ue1A:
24.2		 4da7A-5ue1A:
22.05
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.
5xse KHG/KDPG ALDOLASE

(Zymomonas
mobilis) 		no annotation 5 GLY A  65
ALA A  62
VAL A  64
GLU A  84
VAL A  42
 None
 1.18A 4da7A-5xseA:
undetectable		 4da7A-5xseA:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 5 GLY A 204
ALA A  74
VAL A 173
GLU A  80
SER A 232
 None
 1.20A 4da7A-5zalA:
2.3		 4da7A-5zalA:
15.52
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.
6g7x -

(-) 		no annotation 7 MET A  64
ARG A  87
GLY A  92
GLU A 179
MET A 180
GLU A 181
SER A 203
 None
PO4  A 304 ( 4.4A)
IMD  A 302 ( 4.2A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
None
 0.64A 4da7A-6g7xA:
37.8		 4da7A-6g7xA:
undetectable