SIMILAR PATTERNS OF AMINO ACIDS FOR 3G1U_C_ADNC438

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.
1ac5 KEX1(DELTA)P

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		5 HIS A 150
ASP A 141
LEU A  49
LEU A  36
PHE A 185
 None
 1.30A 3g1uC-1ac5A:
4.1		 3g1uC-1ac5A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1af5 I-CREI

(Chlamydomonas
reinhardtii) 		PF00961
(LAGLIDADG_1) 		5 LEU A  58
GLU A  61
LEU A  91
GLY A  15
PHE A  54
 None
 1.31A 3g1uC-1af5A:
undetectable		 3g1uC-1af5A:
16.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aua PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
SEC14P

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		5 THR A  25
ASP A  20
LYS A 116
ASP A 117
LEU A  22
 None
 1.32A 3g1uC-1auaA:
undetectable		 3g1uC-1auaA:
19.69
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.
1g7r TRANSLATION
INITIATION FACTOR
IF2/EIF5B

(Methanothermobacter
thermautotrophicus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 LEU A 161
ASP A 162
ASP A 183
MET A 147
PHE A 146
 None
 1.21A 3g1uC-1g7rA:
3.5		 3g1uC-1g7rA:
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.
1o73 TRYPAREDOXIN

(Trypanosoma
brucei) 		PF13905
(Thioredoxin_8) 		5 LEU A  33
LEU A  26
LEU A   4
GLY A   3
PHE A 104
 None
 1.41A 3g1uC-1o73A:
undetectable		 3g1uC-1o73A:
16.09
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.
1ogq POLYGALACTURONASE
INHIBITING PROTEIN

(Phaseolus
vulgaris) 		PF08263
(LRRNT_2) 		5 LEU A 251
LEU A 264
LEU A 242
GLY A 241
PHE A 235
 None
 1.24A 3g1uC-1ogqA:
undetectable		 3g1uC-1ogqA:
22.00
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.
1t1u CHOLINE
O-ACETYLTRANSFERASE

(Rattus
norvegicus) 		PF00755
(Carn_acyltransf) 		5 LEU A 516
LEU A  31
GLY A  62
MET A 533
PHE A 534
 None
 1.46A 3g1uC-1t1uA:
undetectable		 3g1uC-1t1uA:
22.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 392
 ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
 0.79A 3g1uC-1v8bA:
55.1		 3g1uC-1v8bA:
51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  54
ASP A 134
LYS A 230
ASP A 234
LEU A 389
 ADN  A 502 (-4.1A)
ADN  A 502 (-3.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
 1.41A 3g1uC-1v8bA:
55.1		 3g1uC-1v8bA:
51.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  53
HIS A  54
THR A  56
ASP A 134
GLU A 200
LYS A 230
ASP A 234
LEU A 389
LEU A 392
GLY A 397
MET A 403
PHE A 407
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.1A)
ADN  A 502 (-4.0A)
ADN  A 502 (-3.0A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 (-3.6A)
None
 0.47A 3g1uC-1v8bA:
55.1		 3g1uC-1v8bA:
51.96
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.
1wj4 KIAA0794 PROTEIN

(Homo sapiens) 		PF00789
(UBX) 		5 LEU A  85
THR A  87
LEU A 103
LEU A 108
GLY A 107
 None
 1.32A 3g1uC-1wj4A:
undetectable		 3g1uC-1wj4A:
15.91
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.
1xec DECORIN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU A 199
ASP A 208
LEU A 215
LEU A 190
GLY A 189
 None
 1.23A 3g1uC-1xecA:
undetectable		 3g1uC-1xecA:
21.24
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.
2cul GLUCOSE-INHIBITED
DIVISION PROTEIN
A-RELATED PROTEIN,
PROBABLE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF01134
(GIDA) 		5 LEU A 195
LEU A  96
LEU A  94
GLY A  93
PHE A 183
 None
 1.19A 3g1uC-2culA:
3.2		 3g1uC-2culA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h12 CITRATE SYNTHASE

(Acetobacter
aceti) 		PF00285
(Citrate_synt) 		5 LEU A  97
HIS A  76
ASP A 236
LEU A  74
GLY A  78
 None
 1.32A 3g1uC-2h12A:
undetectable		 3g1uC-2h12A:
21.22
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.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		5 LEU A 263
ASP A  91
LEU A 104
GLY A 159
MET A  96
 None
 1.29A 3g1uC-2hp3A:
undetectable		 3g1uC-2hp3A:
21.83
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.
2kxh PEPTIDE OF FAR
UPSTREAM
ELEMENT-BINDING
PROTEIN 1
POLY(U)-BINDING-SPLI
CING FACTOR PUF60

(Homo sapiens) 		PF00076
(RRM_1)
no annotation 		5 LEU B  35
LEU A 220
LEU A 275
MET A 270
PHE B  31
 None
 1.20A 3g1uC-2kxhB:
undetectable		 3g1uC-2kxhB:
7.07
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.
2waa XYLAN ESTERASE,
PUTATIVE, AXE2C

(Cellvibrio
japonicus) 		PF13472
(Lipase_GDSL_2) 		5 LEU A 125
GLU A  96
LEU A  52
LEU A 119
GLY A 121
 None
 0.93A 3g1uC-2waaA:
2.2		 3g1uC-2waaA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A 304
THR A  43
GLY A  41
MET A 240
PHE A 238
 None
 1.25A 3g1uC-2x40A:
undetectable		 3g1uC-2x40A:
20.32
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.
2yh0 SPLICING FACTOR U2AF
65 KDA SUBUNIT

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 279
LEU A 325
LEU A 266
GLY A 301
PHE A 288
 None
 1.31A 3g1uC-2yh0A:
undetectable		 3g1uC-2yh0A:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
 None
 1.33A 3g1uC-3azqA:
2.4		 3g1uC-3azqA:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
 ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
 1.16A 3g1uC-3ce6A:
55.5		 3g1uC-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  68
ASP A 156
LYS A 248
ASP A 252
LEU A 410
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
 1.07A 3g1uC-3ce6A:
55.5		 3g1uC-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  68
HIS A  69
THR A  71
ASP A 156
GLU A 218
LYS A 248
ASP A 252
LEU A 407
LEU A 410
GLY A 415
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
ADN  A 500 (-2.6A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.52A 3g1uC-3ce6A:
55.5		 3g1uC-3ce6A:
54.40
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.
3d6n DIHYDROOROTASE

(Aquifex
aeolicus) 		PF01979
(Amidohydro_1) 		5 LEU A 261
LEU A 239
GLY A 297
MET A 351
PHE A 302
 None
 1.33A 3g1uC-3d6nA:
undetectable		 3g1uC-3d6nA:
23.25
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.
3e0j DNA POLYMERASE
SUBUNIT DELTA-2

(Homo sapiens) 		PF04042
(DNA_pol_E_B) 		5 LEU A 283
ASP A 300
LEU A 204
LEU A 202
GLY A 201
 None
 1.27A 3g1uC-3e0jA:
undetectable		 3g1uC-3e0jA:
21.37
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.
3ga7 ACETYL ESTERASE

(Salmonella
enterica) 		PF07859
(Abhydrolase_3) 		5 LEU A 100
THR A 102
ASP A 122
LEU A 125
GLY A  93
 None
None
None
None
SEP  A 165 ( 3.6A)
 1.33A 3g1uC-3ga7A:
undetectable		 3g1uC-3ga7A:
22.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  61
ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 388
 None
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
RAB  A 602 ( 4.7A)
 1.11A 3g1uC-3glqA:
56.4		 3g1uC-3glqA:
55.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 199
LYS A 229
ASP A 233
LEU A 385
LEU A 388
GLY A 393
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
RAB  A 602 (-4.6A)
RAB  A 602 (-3.0A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
RAB  A 602 (-3.6A)
None
 0.42A 3g1uC-3glqA:
56.4		 3g1uC-3glqA:
55.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3gvp ADENOSYLHOMOCYSTEINA
SE 3

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 234
THR A 239
ASP A 310
GLU A 335
LYS A 365
 None
 1.39A 3g1uC-3gvpA:
44.9		 3g1uC-3gvpA:
52.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  52
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
 ADN  A 439 ( 4.7A)
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
 1.35A 3g1uC-3h9uA:
63.4		 3g1uC-3h9uA:
85.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LEU A  51
ASP A 130
GLU A 155
LYS A 185
LEU A 346
 None
None
None
NAD  A 438 ( 3.9A)
ADN  A 439 ( 4.7A)
 0.97A 3g1uC-3h9uA:
63.4		 3g1uC-3h9uA:
85.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  51
HIS A  52
THR A  54
ASP A 130
GLU A 155
LYS A 185
ASP A 189
LEU A 343
LEU A 346
GLY A 351
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
None
NAD  A 438 ( 3.9A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.7A)
None
 0.40A 3g1uC-3h9uA:
63.4		 3g1uC-3h9uA:
85.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hin PUTATIVE
3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Rhodopseudomonas
palustris) 		PF00378
(ECH_1) 		5 LEU A 124
LEU A  18
LEU A  44
GLY A  43
PHE A  99
 None
 1.44A 3g1uC-3hinA:
undetectable		 3g1uC-3hinA:
21.97
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.
3kxd CALCIUM-GATED
POTASSIUM CHANNEL
MTHK

(Methanothermobacter
thermautotrophicus) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 LEU A 185
GLU A 190
LEU A 170
LEU A 142
GLY A 162
 None
 1.42A 3g1uC-3kxdA:
5.3		 3g1uC-3kxdA:
20.47
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.
3lvr ARF-GAP WITH SH3
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN 3,
ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens;
synthetic
construct) 		PF00025
(Arf)
PF01412
(ArfGap)
PF12796
(Ank_2) 		5 LEU E 486
GLU E 490
LYS E 643
LEU E 495
GLY E 457
 None
 1.43A 3g1uC-3lvrE:
undetectable		 3g1uC-3lvrE:
19.92
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.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		5 LEU A  95
HIS A  74
ASP A 230
LEU A  72
GLY A  76
 None
 1.39A 3g1uC-3msuA:
undetectable		 3g1uC-3msuA:
22.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 381
 ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
ADN  A 500 ( 4.8A)
 0.90A 3g1uC-3n58A:
56.6		 3g1uC-3n58A:
58.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  54
HIS A  55
ASP A 132
LYS A 222
ASP A 226
LEU A 378
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
 1.26A 3g1uC-3n58A:
56.6		 3g1uC-3n58A:
58.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  54
HIS A  55
THR A  57
ASP A 132
GLU A 192
LYS A 222
ASP A 226
LEU A 378
LEU A 381
GLY A 386
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
ADN  A 500 (-3.6A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.7A)
None
 0.30A 3g1uC-3n58A:
56.6		 3g1uC-3n58A:
58.65
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.
3ogk CORONATINE-INSENSITI
VE PROTEIN 1

(Arabidopsis
thaliana) 		no annotation 5 LEU B 395
ASP B 421
LEU B 412
LEU B 445
GLY B 449
 None
 1.43A 3g1uC-3ogkB:
undetectable		 3g1uC-3ogkB:
20.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  62
ASP A 139
LYS A 235
ASP A 239
LEU A 395
 ADE  A 506 (-4.6A)
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
 1.38A 3g1uC-3oneA:
54.0		 3g1uC-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  61
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 398
 None
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 0.98A 3g1uC-3oneA:
54.0		 3g1uC-3oneA:
58.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  61
HIS A  62
THR A  64
ASP A 139
GLU A 205
LYS A 235
ASP A 239
LEU A 395
LEU A 398
GLY A 403
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
None
NAD  A 501 ( 4.2A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.59A 3g1uC-3oneA:
54.0		 3g1uC-3oneA:
58.78
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.
3zdu CYCLIN-DEPENDENT
KINASE-LIKE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A  54
GLU A  50
ASP A 143
LEU A 116
PHE A  79
 None
38R  A 350 ( 4.8A)
NA  A 353 ( 2.5A)
None
38R  A 350 (-4.1A)
 1.37A 3g1uC-3zduA:
undetectable		 3g1uC-3zduA:
21.90
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 HIS A  23
ASP A 581
ASP A 196
GLY A  17
PHE A  10
 None
 1.24A 3g1uC-4cw4A:
undetectable		 3g1uC-4cw4A:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e6y CITRATE SYNTHASE

(Vibrio
vulnificus) 		PF00285
(Citrate_synt) 		5 LEU A  90
HIS A  69
ASP A 229
LEU A  67
GLY A  71
 None
 1.41A 3g1uC-4e6yA:
undetectable		 3g1uC-4e6yA:
22.86
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.
4g6b CITRATE SYNTHASE

(Escherichia
coli) 		PF00285
(Citrate_synt) 		5 LEU A  89
HIS A  68
ASP A 228
LEU A  66
GLY A  70
 None
 1.41A 3g1uC-4g6bA:
undetectable		 3g1uC-4g6bA:
23.17
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 LEU A 404
HIS A 317
LEU A 313
GLY A 383
PHE A 400
 None
 1.44A 3g1uC-4gaaA:
undetectable		 3g1uC-4gaaA:
21.04
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.
4h7a CRISPR-ASSOCIATED
PROTEIN CSE2

(Thermus
thermophilus) 		PF09485
(CRISPR_Cse2) 		5 LEU A  49
HIS A  62
LEU A 136
LEU A 132
GLY A   4
 None
 1.46A 3g1uC-4h7aA:
undetectable		 3g1uC-4h7aA:
17.01
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.
4hds ARSA
ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 LEU B 297
ASP A 328
LEU A 313
LEU A 311
GLY A 322
 None
EDO  B 902 (-3.7A)
None
None
None
 1.37A 3g1uC-4hdsB:
3.1		 3g1uC-4hdsB:
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.
4kry ACETYL ESTERASE

(Escherichia
coli) 		PF07859
(Abhydrolase_3) 		5 LEU A 100
THR A 102
ASP A 122
LEU A 125
GLY A  93
 None
None
None
None
SEB  A 165 ( 3.6A)
 1.31A 3g1uC-4kryA:
5.2		 3g1uC-4kryA:
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.
4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 THR A 433
ASP A 367
LYS A 354
ASP A 427
LEU A 455
 None
MG  A 602 (-2.4A)
MG  A 601 ( 3.8A)
MG  A 601 ( 3.0A)
SO4  A 603 (-3.7A)
 1.35A 3g1uC-4ksiA:
undetectable		 3g1uC-4ksiA:
24.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  58
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
 ADN  A 501 (-4.0A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
 1.40A 3g1uC-4lvcA:
57.5		 3g1uC-4lvcA:
60.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  57
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 386
 None
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
 0.95A 3g1uC-4lvcA:
57.5		 3g1uC-4lvcA:
60.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  57
HIS A  58
THR A  60
ASP A 135
GLU A 197
LYS A 227
ASP A 231
LEU A 383
LEU A 386
GLY A 391
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-3.6A)
ADN  A 501 (-2.7A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.45A 3g1uC-4lvcA:
57.5		 3g1uC-4lvcA:
60.17
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.
4mo9 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		5 ASP A  77
LEU A 314
GLY A 313
MET A  78
PHE A  82
 None
 1.34A 3g1uC-4mo9A:
3.1		 3g1uC-4mo9A:
23.60
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.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A 495
ASP A 914
LEU A 895
LEU A 493
GLY A 899
 None
 1.28A 3g1uC-4mz0A:
undetectable		 3g1uC-4mz0A:
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.
4ofz TREHALOSE-PHOSPHATAS
E

(Brugia malayi) 		no annotation 5 LEU A 172
HIS A 478
ASP A 475
ASP A 140
GLY A 237
 None
 1.44A 3g1uC-4ofzA:
2.5		 3g1uC-4ofzA:
22.86
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.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120) 		no annotation 5 LEU A 667
LEU A 627
LEU A 672
GLY A 674
PHE A 683
 None
 1.14A 3g1uC-4oj5A:
undetectable		 3g1uC-4oj5A:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q11 SIGMA FACTOR-BINDING
PROTEIN CRL

(Proteus
mirabilis) 		PF07417
(Crl) 		5 LEU A 100
HIS A 104
LEU A 118
MET A 124
PHE A 127
 None
 1.40A 3g1uC-4q11A:
undetectable		 3g1uC-4q11A:
13.89
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.
4qiw DNA-DIRECTED RNA
POLYMERASE

(Thermococcus
kodakarensis) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU B1073
HIS A  73
LYS B1102
ASP B1106
GLY A  75
 None
ZN  A1002 (-3.1A)
None
None
None
 1.33A 3g1uC-4qiwB:
undetectable		 3g1uC-4qiwB:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rcn LONG-CHAIN ACYL-COA
CARBOXYLASE

(Mycobacterium
avium) 		PF00289
(Biotin_carb_N)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 LEU A 761
ASP A 694
LEU A 652
GLY A 686
PHE A 734
 None
 1.30A 3g1uC-4rcnA:
5.6		 3g1uC-4rcnA:
17.71
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.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 LEU A 321
THR A 295
LEU A 201
GLY A 195
PHE A 309
 None
SAM  A 401 (-4.6A)
None
SAM  A 401 (-3.0A)
None
 1.37A 3g1uC-4rfqA:
5.8		 3g1uC-4rfqA:
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.
4utg SUGAR KINASE

(Burkholderia
pseudomallei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 LEU A 198
LEU A  14
GLY A  15
MET A 261
PHE A 257
 None
None
CL  A 402 ( 3.7A)
None
None
 1.26A 3g1uC-4utgA:
undetectable		 3g1uC-4utgA:
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.
4uy6 HISTIDINE-SPECIFIC
METHYLTRANSFERASE
EGTD

(Mycolicibacterium
smegmatis) 		PF10017
(Methyltransf_33) 		5 LEU A 167
THR A 163
GLU A 143
ASP A 141
GLY A  86
 None
SAH  A 801 ( 3.7A)
None
SAH  A 801 (-3.7A)
SAH  A 801 (-3.0A)
 1.08A 3g1uC-4uy6A:
4.3		 3g1uC-4uy6A:
22.91
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.
4zmi TELOMERE LENGTH
REGULATOR TAZ1

(Schizosaccharomyces
pombe) 		PF08558
(TRF) 		5 LEU A 224
LEU A 191
LEU A 197
GLY A 196
PHE A 217
 None
 1.25A 3g1uC-4zmiA:
undetectable		 3g1uC-4zmiA:
17.46
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.
5cr9 ABC-TYPE
FE3+-HYDROXAMATE
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Saccharomonospora
viridis) 		PF01497
(Peripla_BP_2) 		5 LEU A 180
ASP A 130
LEU A  63
LEU A 133
PHE A  54
 None
 1.08A 3g1uC-5cr9A:
3.7		 3g1uC-5cr9A:
21.90
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.
5ep0 PUTATIVE REPRESSOR
PROTEIN LUXO

(Photobacterium
angustum) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat) 		5 GLU A 177
ASP A 241
LEU A 310
MET A 239
PHE A 194
 None
SO4  A 401 ( 4.6A)
None
None
None
 1.27A 3g1uC-5ep0A:
6.8		 3g1uC-5ep0A:
21.04
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.
5ep1 PUTATIVE REPRESSOR
PROTEIN LUXO

(Photobacterium
angustum) 		PF00158
(Sigma54_activat) 		5 GLU A 177
ASP A 241
LEU A 310
MET A 239
PHE A 194
 None
 1.34A 3g1uC-5ep1A:
undetectable		 3g1uC-5ep1A:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h0r VP4 PROTEIN

(Cypovirus 1) 		no annotation 5 LEU G 551
HIS G 296
LEU G 273
GLY G 297
PHE G 362
 None
 1.39A 3g1uC-5h0rG:
undetectable		 3g1uC-5h0rG:
21.59
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.
5ijw GLUTAMATE RACEMASE

(Mycolicibacterium
smegmatis) 		PF01177
(Asp_Glu_race) 		5 THR A 262
ASP A  26
LEU A  18
LEU A 259
GLY A 260
 None
 1.39A 3g1uC-5ijwA:
2.6		 3g1uC-5ijwA:
22.00
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.
5l94 CYTOCHROME P450

(Bacillus
megaterium) 		PF00067
(p450) 		5 LEU A 283
THR A 247
GLU A 280
LEU A 366
PHE A 345
 None
HEM  A 501 ( 4.3A)
None
None
HEM  A 501 (-4.5A)
 1.37A 3g1uC-5l94A:
undetectable		 3g1uC-5l94A:
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		5 LEU A 368
GLU A 361
LEU A 397
LEU A 403
GLY A 402
 None
 1.24A 3g1uC-5lrbA:
3.3		 3g1uC-5lrbA:
18.74
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		5 LEU A 823
LEU A 774
LEU A 806
MET A 870
PHE A 852
 None
 1.42A 3g1uC-5okoA:
undetectable		 3g1uC-5okoA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sym ACYL-PROTEIN
THIOESTERASE 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 LEU A  99
GLU A 103
LEU A 136
LEU A 115
GLY A 116
 None
 1.22A 3g1uC-5symA:
undetectable		 3g1uC-5symA:
20.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A  53
ASP A 137
LYS A 241
ASP A 245
LEU A 401
 SAH  A 502 (-4.0A)
SAH  A 502 (-3.4A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
 1.40A 3g1uC-5utuA:
51.3		 3g1uC-5utuA:
50.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  52
ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 404
 None
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
SAH  A 502 ( 4.7A)
 0.97A 3g1uC-5utuA:
51.3		 3g1uC-5utuA:
50.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5utu ADENOSYLHOMOCYSTEINA
SE

(Cryptosporidium
parvum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  52
HIS A  53
THR A  55
ASP A 137
GLU A 211
LYS A 241
ASP A 245
LEU A 401
LEU A 404
GLY A 409
MET A 415
PHE A 419
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.8A)
SAH  A 502 (-2.9A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.49A 3g1uC-5utuA:
51.3		 3g1uC-5utuA:
50.50
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.
5v1w GLYCOSIDE HYDROLASE

(Bacillus
halodurans) 		PF03639
(Glyco_hydro_81) 		5 HIS A 716
ASP A 363
GLU A 720
LYS A 740
LEU A 681
 PO4  A 812 (-3.8A)
None
None
None
None
 1.47A 3g1uC-5v1wA:
undetectable		 3g1uC-5v1wA:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 HIS A  59
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
 ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
 1.37A 3g1uC-5v96A:
56.4		 3g1uC-5v96A:
57.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  58
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 389
 None
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
 0.96A 3g1uC-5v96A:
56.4		 3g1uC-5v96A:
57.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v96 S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE

(Naegleria
fowleri) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  58
HIS A  59
THR A  61
ASP A 136
GLU A 197
LYS A 227
ASP A 231
LEU A 386
LEU A 389
GLY A 394
MET A 400
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-3.5A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.8A)
NAD  A 501 (-3.9A)
ADN  A 502 ( 4.7A)
ADN  A 502 (-3.7A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.44A 3g1uC-5v96A:
56.4		 3g1uC-5v96A:
57.20
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.
5vfz GP33

(Mycobacterium
virus Brujita) 		no annotation 5 LEU A 145
LEU A 166
LEU A 164
GLY A 161
PHE A 203
 None
 1.31A 3g1uC-5vfzA:
undetectable		 3g1uC-5vfzA:
10.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  54
HIS A  55
THR A  57
ASP A 131
GLU A 156
LYS A 186
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
None
9W4  A 502 (-3.6A)
None
 0.70A 3g1uC-5w4bA:
50.6		 3g1uC-5w4bA:
71.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		8 LEU A  54
HIS A  55
THR A  57
ASP A 131
LYS A 186
ASP A 190
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
NAD  A 501 (-4.1A)
9W4  A 502 (-3.6A)
None
 0.65A 3g1uC-5w4bA:
50.6		 3g1uC-5w4bA:
71.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 LYS A 186
ASP A 190
GLY A 352
MET A 358
PHE A 362
 None
NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
9W4  A 502 (-3.6A)
None
 0.96A 3g1uC-5w4bA:
50.6		 3g1uC-5w4bA:
71.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LYS A 186
ASP A 190
LEU A 344
LEU A 347
GLY A 352
MET A 358
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
9W4  A 502 (-3.6A)
 1.09A 3g1uC-5w4bA:
50.6		 3g1uC-5w4bA:
71.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w4b ADENOSYLHOMOCYSTEINA
SE

(Homo sapiens) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A  57
LYS A 186
ASP A 190
LEU A 347
PHE A 362
 9W4  A 502 (-2.9A)
None
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
None
 1.41A 3g1uC-5w4bA:
50.6		 3g1uC-5w4bA:
71.17
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.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 5 LEU A  43
LEU A 444
LEU A 451
MET A 405
PHE A  22
 None
 1.41A 3g1uC-5ykbA:
undetectable		 3g1uC-5ykbA:
21.18
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 5 LEU A 583
THR A 496
ASP A 609
LEU A 537
LEU A 541
 None
 1.06A 3g1uC-5z0uA:
undetectable		 3g1uC-5z0uA:
11.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		6 LEU A  57
ASP A 136
GLU A 161
LYS A 191
ASP A 195
LEU A 349
 None
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
 1.16A 3g1uC-6aphA:
61.0		 3g1uC-6aphA:
64.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		12 LEU A  57
HIS A  58
THR A  60
ASP A 136
GLU A 161
LYS A 191
ASP A 195
LEU A 349
LEU A 352
GLY A 357
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
ADN  A 501 (-2.5A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.7A)
None
 0.52A 3g1uC-6aphA:
61.0		 3g1uC-6aphA:
64.90
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.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 5 THR A 246
ASP A 229
LEU A   4
LEU A 151
PHE A 189
 None
 1.39A 3g1uC-6b5fA:
undetectable		 3g1uC-6b5fA:
22.17
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.
6dk2 -

(-) 		no annotation 5 LEU A 405
LEU A  97
LEU A 135
GLY A 133
PHE A 205
 None
 1.37A 3g1uC-6dk2A:
undetectable		 3g1uC-6dk2A:
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.
6f3m -

(-) 		no annotation 6 HIS B  61
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
 ADN  B 502 ( 4.0A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
 1.35A 3g1uC-6f3mB:
55.2		 3g1uC-6f3mB:
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.
6f3m -

(-) 		no annotation 11 HIS B  61
THR B  63
ASP B 139
GLU B 164
LYS B 194
ASP B 198
LEU B 373
LEU B 376
GLY B 381
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
ADN  B 502 (-3.6A)
ADN  B 502 (-2.8A)
ADN  B 502 (-2.7A)
NAD  B 501 ( 3.9A)
ADN  B 502 ( 4.8A)
ADN  B 502 ( 3.7A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.49A 3g1uC-6f3mB:
55.2		 3g1uC-6f3mB:
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.
6gbn -

(-) 		no annotation 6 HIS A  56
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
 ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
 1.33A 3g1uC-6gbnA:
60.5		 3g1uC-6gbnA:
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.
6gbn -

(-) 		no annotation 6 LEU A  55
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 350
 None
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
 1.00A 3g1uC-6gbnA:
60.5		 3g1uC-6gbnA:
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.
6gbn -

(-) 		no annotation 12 LEU A  55
HIS A  56
THR A  58
ASP A 134
GLU A 159
LYS A 189
ASP A 193
LEU A 347
LEU A 350
GLY A 355
MET A 361
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
ADN  A 501 (-3.9A)
ADN  A 501 (-2.9A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.6A)
None
 0.46A 3g1uC-6gbnA:
60.5		 3g1uC-6gbnA:
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.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 GLN A 455
THR A 264
THR A  43
HIS A 429
 None
 1.42A 3g1uC-1ciyA:
undetectable		 3g1uC-1ciyA:
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.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 GLN A 212
THR A 209
THR A 140
HIS A  77
 None
None
None
ZN  A 500 (-3.4A)
 1.12A 3g1uC-1ddkA:
2.6		 3g1uC-1ddkA:
20.46
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.
1f7c RHOGAP PROTEIN

(Gallus gallus) 		PF00620
(RhoGAP) 		4 GLN A 310
THR A 378
HIS A 298
HIS A 313
 None
 1.48A 3g1uC-1f7cA:
undetectable		 3g1uC-1f7cA:
19.12
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.
1huj INORGANIC
PYROPHOSPHATASE

(Saccharomyces
cerevisiae) 		PF00719
(Pyrophosphatase) 		4 THR A   1
THR A  99
HIS A 223
HIS A  30
 None
 1.46A 3g1uC-1hujA:
undetectable		 3g1uC-1hujA:
20.53
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.
1ii0 ARSENICAL
PUMP-DRIVING ATPASE

(Escherichia
coli) 		PF02374
(ArsA_ATPase) 		4 GLN A 430
THR A 480
THR A 451
HIS A 453
 None
None
None
CD  A 595 ( 3.5A)
 1.43A 3g1uC-1ii0A:
undetectable		 3g1uC-1ii0A:
23.11
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.
1kho ALPHA-TOXIN

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 GLN A  97
THR A  93
THR A 133
HIS A 126
 None
None
None
ZN  A 372 (-3.4A)
 1.17A 3g1uC-1khoA:
undetectable		 3g1uC-1khoA:
20.96
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.
1m2v PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		4 THR B 867
THR B 523
HIS B 574
HIS B 547
 None
 1.37A 3g1uC-1m2vB:
undetectable		 3g1uC-1m2vB:
18.02
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.
1pg5 ASPARTATE
CARBAMOYLTRANSFERASE

(Sulfolobus
acidocaldarius) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 THR A 139
THR A 163
HIS A 129
HIS A 258
 None
 1.32A 3g1uC-1pg5A:
5.3		 3g1uC-1pg5A:
22.65
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 GLN B 297
THR B 321
HIS B 260
HIS B 294
 None
 1.38A 3g1uC-1t3qB:
undetectable		 3g1uC-1t3qB:
19.52
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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		4 GLN A 169
THR A 199
THR A 222
HIS A 143
 None
None
NH4  A2605 (-4.2A)
PGO  A2602 (-4.0A)
 1.13A 3g1uC-1uc4A:
undetectable		 3g1uC-1uc4A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		4 GLN A 356
THR A 396
HIS A 404
HIS A 338
 None
 1.48A 3g1uC-1xrsA:
2.1		 3g1uC-1xrsA:
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.
1yif BETA-1,4-XYLOSIDASE

(Bacillus
subtilis) 		PF04616
(Glyco_hydro_43) 		4 GLN A  56
THR A 326
HIS A  49
HIS A  53
 None
 1.19A 3g1uC-1yifA:
undetectable		 3g1uC-1yifA:
21.96
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.
1z6u NP95-LIKE RING
FINGER PROTEIN
ISOFORM B

(Homo sapiens) 		PF00097
(zf-C3HC4) 		4 GLN A 697
THR A 693
THR A 789
HIS A 698
 None
 1.50A 3g1uC-1z6uA:
undetectable		 3g1uC-1z6uA:
15.47
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 GLN A  11
THR A   9
THR A  22
HIS A  15
 None
 1.44A 3g1uC-2b24A:
undetectable		 3g1uC-2b24A:
20.86
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.
2d7s RNA-DEPENDENT RNA
POLYMERASE

(Foot-and-mouth
disease virus) 		PF00680
(RdRP_1) 		4 THR A 303
THR A 281
HIS A 283
HIS A 188
 None
 1.46A 3g1uC-2d7sA:
undetectable		 3g1uC-2d7sA:
23.05
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.
2dmw SYNAPTOBREVIN-LIKE 1
VARIANT

(Homo sapiens) 		PF13774
(Longin) 		4 GLN A 120
THR A  73
HIS A  60
HIS A 124
 None
 1.41A 3g1uC-2dmwA:
undetectable		 3g1uC-2dmwA:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ej8 DCC-INTERACTING
PROTEIN 13 ALPHA

(Homo sapiens) 		PF00640
(PID) 		4 GLN A  76
THR A  75
THR A  57
HIS A  60
 None
 1.50A 3g1uC-2ej8A:
undetectable		 3g1uC-2ej8A:
19.11
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.
2g29 NITRATE TRANSPORT
PROTEIN NRTA

(Synechocystis
sp.) 		PF13379
(NMT1_2) 		4 GLN A 246
THR A 247
THR A 190
HIS A 196
 None
None
NO3  A 700 (-3.9A)
NO3  A 700 (-3.6A)
 1.50A 3g1uC-2g29A:
undetectable		 3g1uC-2g29A:
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.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 GLN A 631
THR A 632
THR A 514
HIS A  25
 None
 1.02A 3g1uC-2iceA:
undetectable		 3g1uC-2iceA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nsg HYPOTHETICAL PROTEIN
CGL3021

(Corynebacterium
glutamicum) 		PF11716
(MDMPI_N) 		4 THR A 137
THR A  73
HIS A  65
HIS A 122
 None
 1.40A 3g1uC-2nsgA:
undetectable		 3g1uC-2nsgA:
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.08A 3g1uC-2nvvA:
undetectable		 3g1uC-2nvvA:
22.33
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.
2o26 MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Mus musculus) 		no annotation 4 GLN X 275
THR X 277
THR X 306
HIS X 222
 None
 1.30A 3g1uC-2o26X:
undetectable		 3g1uC-2o26X:
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.
2vki 3-PHOPSHOINOSITIDE
DEPENDENT PROTEIN
KINASE 1

(Homo sapiens) 		PF14593
(PH_3) 		4 GLN A 450
THR A 479
HIS A 483
HIS A 449
 None
 1.35A 3g1uC-2vkiA:
undetectable		 3g1uC-2vkiA:
14.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wxu PHOSPHOLIPASE C

(Clostridium
perfringens) 		PF00882
(Zn_dep_PLPC)
PF01477
(PLAT) 		4 GLN A  97
THR A  93
THR A 133
HIS A 126
 None
None
None
CD  A1372 (-3.6A)
 1.20A 3g1uC-2wxuA:
undetectable		 3g1uC-2wxuA:
21.24
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.
3b1b CARBONIC ANHYDRASE 1

(Chlamydomonas
reinhardtii) 		PF00194
(Carb_anhydrase) 		4 GLN A 161
THR A 160
HIS A 271
HIS A 182
 None
None
None
ZN  A 378 (-3.1A)
 1.49A 3g1uC-3b1bA:
undetectable		 3g1uC-3b1bA:
21.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  73
THR A  74
THR A 219
HIS A 363
HIS A 416
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
ADN  A 500 ( 3.6A)
 0.12A 3g1uC-3ce6A:
55.5		 3g1uC-3ce6A:
54.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  66
THR A  67
THR A 200
HIS A 344
HIS A 394
 RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
NAD  A 601 ( 2.9A)
RAB  A 602 ( 3.5A)
NAD  A 601 ( 3.6A)
 0.20A 3g1uC-3glqA:
56.4		 3g1uC-3glqA:
55.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  56
THR A  57
THR A 156
HIS A 300
HIS A 352
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
NAD  A 438 (-3.8A)
None
ADN  A 439 ( 3.3A)
 0.35A 3g1uC-3h9uA:
63.4		 3g1uC-3h9uA:
85.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 THR B 651
THR B 417
HIS B 994
HIS B 425
 None
 1.30A 3g1uC-3hkzB:
undetectable		 3g1uC-3hkzB:
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.
3lxm ASPARTATE
CARBAMOYLTRANSFERASE

(Yersinia pestis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 THR A 145
THR A 169
HIS A 135
HIS A 266
 None
None
PG4  A 312 (-4.5A)
None
 1.24A 3g1uC-3lxmA:
10.4		 3g1uC-3lxmA:
22.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  59
THR A  60
THR A 193
HIS A 337
HIS A 387
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
ADN  A 500 (-3.4A)
 0.17A 3g1uC-3n58A:
56.6		 3g1uC-3n58A:
58.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  66
THR A  67
THR A 206
HIS A 350
HIS A 404
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
NAD  A 501 (-2.8A)
None
ADE  A 506 (-3.4A)
 0.20A 3g1uC-3oneA:
54.0		 3g1uC-3oneA:
58.78
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.
3qr5 CARDIAC CA2+ RELEASE
CHANNEL

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 GLN A  33
THR A  27
THR A 210
HIS A 193
 None
 1.15A 3g1uC-3qr5A:
undetectable		 3g1uC-3qr5A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ryt PLEXIN-A1

(Mus musculus) 		PF08337
(Plexin_cytopl) 		4 GLN A1589
THR A1525
HIS A1653
HIS A1587
 None
 1.30A 3g1uC-3rytA:
undetectable		 3g1uC-3rytA:
20.86
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		4 GLN A 194
THR A 207
THR A 284
HIS A 297
 GOL  A 402 (-3.2A)
None
None
None
 1.46A 3g1uC-3silA:
undetectable		 3g1uC-3silA:
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.
3tji MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Enterobacter
sp. 638) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLN A 153
THR A 387
HIS A 384
HIS A 207
 None
None
None
GOL  A 400 (-4.0A)
 1.45A 3g1uC-3tjiA:
undetectable		 3g1uC-3tjiA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		4 GLN A 156
THR A   6
THR A 348
HIS A 389
 None
 1.25A 3g1uC-4cnkA:
undetectable		 3g1uC-4cnkA:
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.
4f7k LACCASE

(uncultured
bacterium) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLN A 100
THR A  99
HIS A 376
HIS A 126
 None
 1.40A 3g1uC-4f7kA:
undetectable		 3g1uC-4f7kA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hnl MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Enterococcus
gallinarum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLN A 153
THR A 387
HIS A 384
HIS A 207
 None
None
None
GOL  A 402 (-3.9A)
 1.41A 3g1uC-4hnlA:
undetectable		 3g1uC-4hnlA:
22.68
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.
4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE

(Trypanosoma
cruzi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 THR A 151
THR A 175
HIS A 141
HIS A 287
 None
None
UNX  A 402 ( 4.2A)
None
 1.35A 3g1uC-4iv5A:
10.4		 3g1uC-4iv5A:
24.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j40 FIMX

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		4 GLN A 583
THR A 582
THR A 572
HIS A 609
 None
 1.12A 3g1uC-4j40A:
2.1		 3g1uC-4j40A:
21.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  62
THR A  63
THR A 198
HIS A 342
HIS A 392
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 (-3.5A)
 0.20A 3g1uC-4lvcA:
57.5		 3g1uC-4lvcA:
60.17
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		4 GLN A 111
THR A 110
THR A  81
HIS A 120
 None
None
MRD  A 301 ( 4.2A)
MRD  A 301 ( 4.8A)
 1.27A 3g1uC-4nq1A:
undetectable		 3g1uC-4nq1A:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		4 GLN A 125
THR A 187
HIS A 104
HIS A 124
 None
None
None
NDG  A 504 (-4.1A)
 1.11A 3g1uC-4nz5A:
undetectable		 3g1uC-4nz5A:
23.22
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.
4q3l MGS-M2

(unidentified) 		PF00561
(Abhydrolase_1) 		4 THR A 194
THR A 224
HIS A 249
HIS A 200
 None
 1.42A 3g1uC-4q3lA:
5.5		 3g1uC-4q3lA:
22.00
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.
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) 		4 GLN A2380
THR A2383
THR A2418
HIS A2097
 None
MG  A4404 ( 4.6A)
None
None
 1.36A 3g1uC-4rh7A:
undetectable		 3g1uC-4rh7A:
7.59
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 4 GLN A 213
THR A 210
THR A 141
HIS A  78
 None
None
None
ZN  A 301 (-3.4A)
 1.21A 3g1uC-4ubqA:
2.5		 3g1uC-4ubqA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wpg DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Streptococcus
pyogenes) 		PF04321
(RmlD_sub_bind) 		4 GLN A 167
THR A 164
THR A 176
HIS A 172
 None
 1.09A 3g1uC-4wpgA:
4.8		 3g1uC-4wpgA:
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.
4ye4 HEAVY CHAIN HUMAN
ANTIBODY HJ16
LIGHT CHAIN OF HJ16

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN H  99
THR H 100
THR L 101
HIS H  58
 None
 1.50A 3g1uC-4ye4H:
undetectable		 3g1uC-4ye4H:
20.05
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.
5b0v MATRIX PROTEIN VP40

(Marburg
marburgvirus) 		PF07447
(VP40) 		4 GLN A 172
THR A  62
THR A  99
HIS A  59
 None
 1.35A 3g1uC-5b0vA:
undetectable		 3g1uC-5b0vA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b3r IMP-18

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 230
THR A 227
THR A 158
HIS A  95
 None
None
None
ZN  A2001 ( 3.4A)
 1.21A 3g1uC-5b3rA:
2.9		 3g1uC-5b3rA:
19.07
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.
5dfa BETA-GALACTOSIDASE

(Geobacillus
stearothermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 GLN A 591
THR A 497
THR A 501
HIS A 446
 None
 1.45A 3g1uC-5dfaA:
undetectable		 3g1uC-5dfaA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ffn ENZYME SUBTILASE
SUBTY FROM BACILLUS
SP. TY145

(Bacillus sp.
(in: Bacteria)) 		PF00082
(Peptidase_S8) 		4 GLN A   6
THR A   5
THR A  79
HIS A 256
 None
 1.36A 3g1uC-5ffnA:
3.2		 3g1uC-5ffnA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA

(Homo sapiens) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		4 GLN A 154
THR A 147
THR A 166
HIS A 171
 None
 1.43A 3g1uC-5fwmA:
undetectable		 3g1uC-5fwmA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5irp ALANINE RACEMASE 2

(Bacillus
subtilis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 GLN A 184
THR A 181
THR A 210
HIS A 169
 None
None
UAH  A 402 (-3.5A)
UAH  A 402 (-3.6A)
 1.14A 3g1uC-5irpA:
undetectable		 3g1uC-5irpA:
22.25
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.
5iuf BIFUNCTIONAL
OLIGORIBONUCLEASE
AND PAP PHOSPHATASE
NRNA

(Bacillus
subtilis) 		PF01368
(DHH)
PF02272
(DHHA1) 		4 GLN A  31
THR A  35
THR A  70
HIS A  18
 None
 1.49A 3g1uC-5iufA:
undetectable		 3g1uC-5iufA:
22.17
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLN A 401
THR A 402
THR A 406
HIS A 367
 None
 1.44A 3g1uC-5jjqA:
4.0		 3g1uC-5jjqA:
22.91
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 GLN A  10
THR A 199
HIS A 119
HIS A  64
 None
EZL  A 302 (-3.4A)
ZN  A 301 ( 3.2A)
None
 1.47A 3g1uC-5jn9A:
undetectable		 3g1uC-5jn9A:
20.27
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.
5mx9 PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-2

(Escherichia
coli) 		PF00884
(Sulfatase) 		4 GLN A 298
THR A 285
HIS A 478
HIS A 514
 None
ZN  A 602 (-2.6A)
ZN  A 601 (-3.1A)
None
 1.37A 3g1uC-5mx9A:
undetectable		 3g1uC-5mx9A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nci LEUCINE HYDROXYLASE

(Streptomyces
muensis) 		PF05721
(PhyH) 		4 GLN A 111
THR A 227
HIS A  92
HIS A 205
 None
 1.36A 3g1uC-5nciA:
undetectable		 3g1uC-5nciA:
20.18
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.
5veh KYNURENINE
AMINOTRANSFERASE

(Aedes aegypti) 		no annotation 4 GLN A 278
THR A  74
HIS A  79
HIS A 281
 None
 1.36A 3g1uC-5vehA:
undetectable		 3g1uC-5vehA:
22.63
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.
5x5v GD

(Suid
alphaherpesvirus
1) 		PF01537
(Herpes_glycop_D) 		4 GLN A 226
THR A 131
THR A 136
HIS A 230
 None
 1.42A 3g1uC-5x5vA:
undetectable		 3g1uC-5x5vA:
20.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  62
THR A  63
THR A 162
HIS A 306
HIS A 358
 ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.7A)
ADN  A 501 ( 3.5A)
 0.22A 3g1uC-6aphA:
61.0		 3g1uC-6aphA:
64.90
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 157
THR A 153
THR A  86
HIS A  80
 None
 1.39A 3g1uC-6cc0A:
undetectable		 3g1uC-6cc0A:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 5 GLN B  65
THR B  66
THR B 165
HIS B 323
HIS B 382
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
NAD  B 501 ( 2.8A)
ZN  B 505 (-3.2A)
ADN  B 502 (-3.4A)
 0.19A 3g1uC-6f3mB:
55.2		 3g1uC-6f3mB:
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 4 GLN A 195
THR A 196
THR A 162
HIS A 188
 None
None
None
CD  A 403 ( 3.6A)
 1.47A 3g1uC-6fv4A:
2.6		 3g1uC-6fv4A:
10.87
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.
6gbn -

(-) 		no annotation 5 GLN A  60
THR A  61
THR A 160
HIS A 304
HIS A 356
 NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
NAD  A 502 ( 2.8A)
ADN  A 501 ( 3.6A)
ADN  A 501 (-3.4A)
 0.22A 3g1uC-6gbnA:
60.5		 3g1uC-6gbnA:
undetectable