SIMILAR PATTERNS OF AMINO ACIDS FOR 3G1U_D_ADND438

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
 1.24A 3g1uD-1ac5A:
2.6		 3g1uD-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.
1eqw CU,ZN SUPEROXIDE
DISMUTASE

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 501 (-3.0A)
ZN  A 501 (-2.4A)
None
None
CU  A 502 (-3.2A)
 1.30A 3g1uD-1eqwA:
undetectable		 3g1uD-1eqwA:
16.99
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.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 HIS A  78
ASP A  81
LEU A 135
GLY A  60
HIS A  46
 ZN  A 149 ( 3.0A)
ZN  A 149 ( 2.4A)
None
None
CU  A 150 ( 3.3A)
 1.33A 3g1uD-1esoA:
undetectable		 3g1uD-1esoA:
17.62
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 LEU A  90
THR A  92
ASP A 112
LEU A 115
GLY A  83
 None
None
None
None
EPE  A 455 (-3.3A)
 1.28A 3g1uD-1evqA:
3.7		 3g1uD-1evqA:
21.65
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.
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
 1.16A 3g1uD-1g7rA:
undetectable		 3g1uD-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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 HIS A 252
ASP A 169
THR A 118
LEU A 248
GLY A 247
 ZN  A 401 (-3.2A)
ZN  A 401 (-2.4A)
TRS  A2922 ( 4.2A)
None
None
 1.27A 3g1uD-1kq3A:
2.6		 3g1uD-1kq3A:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.19A 3g1uD-1ogqA:
undetectable		 3g1uD-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.
1p49 STERYL-SULFATASE

(Homo sapiens) 		PF00884
(Sulfatase)
PF14707
(Sulfatase_C) 		5 LEU A  31
THR A 406
GLY A 380
HIS A  68
PHE A  82
 None
 1.27A 3g1uD-1p49A:
undetectable		 3g1uD-1p49A:
21.59
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 LEU A  53
ASP A 134
THR A 201
ASP A 234
LEU A 392
 None
ADN  A 502 (-3.1A)
NAD  A 501 ( 2.8A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.9A)
 1.17A 3g1uD-1v8bA:
55.7		 3g1uD-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
THR A 201
ASP A 234
LEU A 389
LEU A 392
GLY A 397
HIS A 398
MET A 403
PHE A 407
 None
ADN  A 502 (-4.1A)
ADN  A 502 (-3.0A)
ADN  A 502 (-3.1A)
NAD  A 501 ( 2.8A)
ADN  A 502 (-2.8A)
NAD  A 501 ( 3.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.43A 3g1uD-1v8bA:
55.7		 3g1uD-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
 1.29A 3g1uD-1wj4A:
undetectable		 3g1uD-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.
1y23 HISTIDINE TRIAD
PROTEIN

(Bacillus
subtilis) 		PF01230
(HIT) 		5 LEU A  43
HIS A 104
ASP A  33
GLY A  95
PHE A   9
 None
 1.19A 3g1uD-1y23A:
undetectable		 3g1uD-1y23A:
15.95
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.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		5 HIS A 103
ASP A 106
LEU A 154
GLY A  84
HIS A  62
 ZN  A 400 ( 3.2A)
ZN  A 400 (-2.2A)
None
None
CU  A 402 ( 3.4A)
 1.27A 3g1uD-2apsA:
undetectable		 3g1uD-2apsA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3g1uD-2culA:
3.2		 3g1uD-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.
2eh0 KINESIN-LIKE PROTEIN
KIF1B

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A  11
LEU A  48
GLY A  36
HIS A  57
PHE A  60
 None
 1.31A 3g1uD-2eh0A:
undetectable		 3g1uD-2eh0A:
15.31
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.
2ftz GERANYLTRANSTRANSFER
ASE

(Thermotoga
maritima) 		PF00348
(polyprenyl_synt) 		5 ASP A  48
LEU A 259
GLY A 249
MET A 186
PHE A 176
 None
MLY  A 263 ( 4.6A)
MLY  A 248 ( 2.4A)
None
MLY  A 181 ( 4.5A)
 1.23A 3g1uD-2ftzA:
undetectable		 3g1uD-2ftzA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g1l KINESIN-LIKE PROTEIN
KIF1C

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A 501
LEU A 534
GLY A 526
HIS A 543
PHE A 546
 None
 1.13A 3g1uD-2g1lA:
undetectable		 3g1uD-2g1lA:
13.10
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.
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
 1.28A 3g1uD-2h12A:
undetectable		 3g1uD-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
 1.30A 3g1uD-2hp3A:
undetectable		 3g1uD-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.
2vnu EXOSOME COMPLEX
EXONUCLEASE RRP44

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 LEU D 780
LEU D 696
LEU D 694
GLY D 833
HIS D 755
 None
A  B  -5 ( 4.2A)
None
A  B  -5 ( 3.4A)
A  B  -5 ( 3.5A)
 0.98A 3g1uD-2vnuD:
undetectable		 3g1uD-2vnuD:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 HIS A 316
THR A 315
GLY A 306
HIS A 310
MET A 263
 None
GOL  A1341 (-3.7A)
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.25A 3g1uD-2wabA:
4.2		 3g1uD-2wabA:
22.15
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.
2wm4 PUTATIVE CYTOCHROME
P450 124

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 LEU A 198
THR A 271
LEU A 263
MET A 318
PHE A 416
 None
HEM  A 450 (-3.1A)
HEM  A 450 ( 4.5A)
HEM  A 450 ( 4.4A)
None
 1.30A 3g1uD-2wm4A:
undetectable		 3g1uD-2wm4A:
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.
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
 1.21A 3g1uD-2x40A:
undetectable		 3g1uD-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.
2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 HIS A 108
ASP A  94
THR A  96
LEU A  79
LEU A  82
 None
None
3CD  A 600 ( 4.8A)
None
None
 1.25A 3g1uD-2xf8A:
5.2		 3g1uD-2xf8A:
20.71
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.
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 3g1uD-2yh0A:
undetectable		 3g1uD-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.
2yln PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		5 LEU A  41
ASP A 110
THR A  52
GLY A  87
PHE A 247
 None
GOL  A1281 (-3.2A)
GOL  A1281 (-2.7A)
None
None
 1.33A 3g1uD-2ylnA:
undetectable		 3g1uD-2ylnA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense) 		PF00326
(Peptidase_S9) 		5 THR A 531
ASP A 445
LEU A 533
GLY A 509
PHE A 449
 None
 1.30A 3g1uD-3azqA:
3.9		 3g1uD-3azqA:
21.35
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 THR A 271
ASP A 300
LEU A  60
GLY A 262
HIS A 265
 None
 1.09A 3g1uD-3b1rA:
4.8		 3g1uD-3b1rA:
21.87
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
THR A 219
ASP A 252
LEU A 407
HIS A 416
 ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
ADN  A 500 (-2.7A)
NAD  A 550 (-4.2A)
ADN  A 500 ( 3.6A)
 1.28A 3g1uD-3ce6A:
55.9		 3g1uD-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
ASP A 252
LEU A 410
HIS A 416
 None
ADN  A 500 (-2.9A)
ADN  A 500 (-2.7A)
ADN  A 500 ( 4.8A)
ADN  A 500 ( 3.6A)
 1.32A 3g1uD-3ce6A:
55.9		 3g1uD-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
THR A 219
ASP A 252
LEU A 407
LEU A 410
GLY A 415
HIS A 416
MET A 421
PHE A 425
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 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 ( 3.6A)
ADN  A 500 (-3.7A)
ADN  A 500 (-4.8A)
 0.24A 3g1uD-3ce6A:
55.9		 3g1uD-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
 1.30A 3g1uD-3d6nA:
undetectable		 3g1uD-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.
3d8k PROTEIN PHOSPHATASE
2C

(Toxoplasma
gondii) 		PF00481
(PP2C) 		5 THR A 330
ASP A 328
GLY A 249
HIS A 268
PHE A 164
 None
 1.22A 3g1uD-3d8kA:
undetectable		 3g1uD-3d8kA:
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.
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
 1.23A 3g1uD-3e0jA:
undetectable		 3g1uD-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.
3f2i ALR0221 PROTEIN

(Nostoc sp. PCC
7120) 		PF00300
(His_Phos_1) 		5 LEU A  65
THR A  33
THR A  52
LEU A  25
HIS A   8
 None
None
None
None
PO4  A 201 (-3.9A)
 1.13A 3g1uD-3f2iA:
undetectable		 3g1uD-3f2iA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.32A 3g1uD-3ga7A:
5.5		 3g1uD-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
THR A 200
ASP A 233
LEU A 385
HIS A 394
 None
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
NAD  A 601 ( 3.6A)
 1.31A 3g1uD-3glqA:
56.2		 3g1uD-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
THR A 200
ASP A 233
LEU A 385
LEU A 388
GLY A 393
HIS A 394
MET A 399
PHE A 403
 None
RAB  A 602 (-3.8A)
RAB  A 602 (-2.7A)
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
RAB  A 602 (-2.5A)
NAD  A 601 ( 4.1A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.29A 3g1uD-3glqA:
56.2		 3g1uD-3glqA:
55.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h2y GTPASE FAMILY
PROTEIN

(Bacillus
anthracis) 		PF01926
(MMR_HSR1) 		5 HIS A 354
ASP A 267
THR A 257
LEU A 320
PHE A 336
 None
 1.17A 3g1uD-3h2yA:
3.0		 3g1uD-3h2yA:
23.03
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) 		5 LEU A  51
ASP A 130
THR A 156
ASP A 189
LEU A 346
 None
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 4.4A)
ADN  A 439 ( 4.7A)
 1.22A 3g1uD-3h9uA:
63.2		 3g1uD-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
THR A 156
ASP A 189
LEU A 343
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 439 ( 4.7A)
ADN  A 439 (-2.7A)
None
NAD  A 438 (-3.8A)
NAD  A 438 ( 4.4A)
NAD  A 438 (-4.0A)
ADN  A 439 ( 4.7A)
ADN  A 439 (-3.5A)
ADN  A 439 ( 3.3A)
ADN  A 439 ( 3.7A)
None
 0.38A 3g1uD-3h9uA:
63.2		 3g1uD-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.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 LEU A 708
ASP A 705
LEU A 427
LEU A 445
GLY A 444
 None
 1.23A 3g1uD-3higA:
undetectable		 3g1uD-3higA:
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.
3k20 OXIDOREDUCTASE

(Corynebacterium
diphtheriae) 		PF03358
(FMN_red) 		5 THR A  17
LEU A 130
LEU A 126
GLY A 145
PHE A 161
 SO4  A 182 (-3.7A)
None
None
None
None
 1.22A 3g1uD-3k20A:
3.1		 3g1uD-3k20A:
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.
3k9h PF-32 PROTEIN

(Borreliella
burgdorferi) 		PF13614
(AAA_31) 		5 LEU A  38
THR A  81
ASP A  79
LEU A 117
GLY A 118
 None
 1.30A 3g1uD-3k9hA:
2.9		 3g1uD-3k9hA:
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.
3mfq HIGH-AFFINITY ZINC
UPTAKE SYSTEM
PROTEIN ZNUA

(Streptococcus
suis) 		PF01297
(ZnuA) 		5 LEU A  69
HIS A  68
ASP A  66
THR A 248
GLY A 216
 None
ZN  A 401 (-3.6A)
None
None
None
 0.91A 3g1uD-3mfqA:
undetectable		 3g1uD-3mfqA:
20.49
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 HIS A  55
THR A  60
ASP A 132
THR A 193
ASP A 226
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
 1.32A 3g1uD-3n58A:
56.4		 3g1uD-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) 		7 LEU A  54
HIS A  55
ASP A 132
THR A 193
ASP A 226
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.36A 3g1uD-3n58A:
56.4		 3g1uD-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
THR A 193
ASP A 226
LEU A 378
LEU A 381
GLY A 386
HIS A 387
MET A 392
PHE A 396
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-2.8A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 2.6A)
NAD  A 550 (-4.3A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.24A 3g1uD-3n58A:
56.4		 3g1uD-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 LEU A  61
ASP A 139
THR A 206
ASP A 239
LEU A 398
 None
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
ADE  A 506 ( 4.7A)
 1.16A 3g1uD-3oneA:
53.9		 3g1uD-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
THR A 206
ASP A 239
LEU A 395
LEU A 398
GLY A 403
HIS A 404
MET A 409
PHE A 413
 None
ADE  A 506 (-4.6A)
ADE  A 506 (-2.8A)
None
NAD  A 501 (-2.8A)
NAD  A 501 ( 4.5A)
NAD  A 501 (-4.2A)
ADE  A 506 ( 4.7A)
ADE  A 506 ( 3.6A)
ADE  A 506 (-3.4A)
ADE  A 506 (-3.8A)
ADE  A 506 (-4.9A)
 0.54A 3g1uD-3oneA:
53.9		 3g1uD-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.
3qy7 TYROSINE-PROTEIN
PHOSPHATASE YWQE

(Bacillus
subtilis) 		no annotation 5 HIS A   5
ASP A 194
ASP A  13
LEU A 106
GLY A  78
 FE  A 264 (-3.3A)
FE  A 264 ( 2.6A)
None
None
None
 1.31A 3g1uD-3qy7A:
undetectable		 3g1uD-3qy7A:
21.62
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 HIS A 218
ASP A 325
THR A 335
GLY A 234
HIS A 233
 MN  A 412 ( 3.3A)
MN  A 412 ( 2.0A)
None
FB6  A 414 (-3.6A)
FB6  A 414 (-3.5A)
 1.32A 3g1uD-3sl1A:
2.3		 3g1uD-3sl1A:
23.24
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.
3ttb EIGHT-HEME NITRITE
REDUCTASE

(Thioalkalivibrio
paradoxus) 		PF02335
(Cytochrom_C552) 		5 THR A 178
ASP A 168
THR A 166
ASP A 161
GLY A 135
 None
 1.18A 3g1uD-3ttbA:
undetectable		 3g1uD-3ttbA:
22.60
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.
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus sp.
RS-1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 200
LEU A 216
LEU A 220
GLY A 221
HIS A 223
 None
 1.33A 3g1uD-3u9iA:
undetectable		 3g1uD-3u9iA:
23.69
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.
3v4c ALDEHYDE
DEHYDROGENASE
(NADP+)

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 LEU A 446
THR A 452
GLY A 463
HIS A 462
MET A 460
 None
 1.29A 3g1uD-3v4cA:
2.1		 3g1uD-3v4cA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbk EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5B

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 LEU A 118
THR A 111
LEU A 172
LEU A 177
GLY A 176
 None
 1.25A 3g1uD-3wbkA:
2.8		 3g1uD-3wbkA:
22.04
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.
3wqb OPEN READING FRAME 2

(Aeromonas
sobria) 		no annotation 5 THR B 102
LEU B  96
LEU B  84
GLY B  83
HIS B  82
 None
 1.29A 3g1uD-3wqbB:
undetectable		 3g1uD-3wqbB:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.20A 3g1uD-4cw4A:
undetectable		 3g1uD-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.
4egx KINESIN-LIKE PROTEIN
KIF1A

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
 None
 1.16A 3g1uD-4egxA:
undetectable		 3g1uD-4egxA:
17.81
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.
4ejq KINESIN-LIKE PROTEIN
KIF1A

(Homo sapiens) 		PF00498
(FHA)
PF16183
(Kinesin_assoc) 		5 LEU A 494
LEU A 531
GLY A 519
HIS A 540
PHE A 543
 None
 1.10A 3g1uD-4ejqA:
undetectable		 3g1uD-4ejqA:
16.48
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.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		5 HIS A 145
ASP A 253
THR A 263
GLY A 161
HIS A 160
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.0A)
None
38I  A 406 ( 3.7A)
38I  A 406 (-3.5A)
 1.33A 3g1uD-4ixuA:
undetectable		 3g1uD-4ixuA:
21.72
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.
4kca ENDO-1,5-ALPHA-L-ARA
BINANASE

(Bos taurus) 		PF00085
(Thioredoxin)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 LEU A 396
HIS A 491
THR A 392
ASP A 308
GLY A 142
 GOL  A 734 (-4.6A)
None
None
GOL  A 734 (-2.6A)
None
 1.28A 3g1uD-4kcaA:
undetectable		 3g1uD-4kcaA:
22.60
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.
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)
 1.28A 3g1uD-4kryA:
5.4		 3g1uD-4kryA:
21.30
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 LEU A  57
ASP A 135
THR A 198
ASP A 231
LEU A 386
 None
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-3.1A)
ADN  A 501 ( 4.7A)
 1.24A 3g1uD-4lvcA:
58.0		 3g1uD-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
THR A 198
ASP A 231
LEU A 383
LEU A 386
GLY A 391
HIS A 392
MET A 397
PHE A 401
 None
ADN  A 501 (-4.0A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-3.1A)
NAD  A 503 ( 3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.6A)
ADN  A 501 (-3.5A)
ADN  A 501 (-3.7A)
ADN  A 501 (-4.8A)
 0.42A 3g1uD-4lvcA:
58.0		 3g1uD-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.
4mca GLYCEROL
DEHYDROGENASE

(Serratia
plymuthica) 		PF00465
(Fe-ADH) 		5 HIS A 254
ASP A 171
THR A 120
LEU A 250
GLY A 249
 ZN  A1000 (-3.1A)
ZN  A1000 (-2.1A)
None
None
None
 1.31A 3g1uD-4mcaA:
undetectable		 3g1uD-4mcaA:
23.73
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.
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
 1.27A 3g1uD-4mz0A:
undetectable		 3g1uD-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.
4n3s EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5B

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 LEU A 518
THR A 511
LEU A 572
LEU A 577
GLY A 576
 None
 1.25A 3g1uD-4n3sA:
undetectable		 3g1uD-4n3sA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.10A 3g1uD-4oj5A:
undetectable		 3g1uD-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.
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
 1.25A 3g1uD-4rcnA:
2.9		 3g1uD-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.
4u9p UPF0264 PROTEIN
MJ1099

(Methanocaldococcus
jannaschii) 		PF04476
(4HFCP_synth) 		5 LEU A   4
ASP A  25
THR A  58
GLY A 187
MET A 149
 None
 1.27A 3g1uD-4u9pA:
undetectable		 3g1uD-4u9pA:
21.48
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.
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
 1.28A 3g1uD-4utgA:
undetectable		 3g1uD-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.
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
 1.19A 3g1uD-4zmiA:
undetectable		 3g1uD-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
 1.13A 3g1uD-5cr9A:
undetectable		 3g1uD-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.
5gs0 TOLL-LIKE RECEPTOR 3

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 233
THR A 267
LEU A 279
LEU A 253
PHE A 212
 None
 1.33A 3g1uD-5gs0A:
undetectable		 3g1uD-5gs0A:
21.51
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.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		5 LEU A 326
HIS A 412
THR A 322
ASP A 238
GLY A  69
 None
None
None
AHR  A 720 ( 4.9A)
None
 1.23A 3g1uD-5ho9A:
undetectable		 3g1uD-5ho9A:
22.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		5 LEU A 326
HIS A 412
THR A 322
ASP A 238
GLY A  69
 TRS  A 903 (-4.4A)
None
None
TRS  A 903 (-2.7A)
None
 1.27A 3g1uD-5hp6A:
undetectable		 3g1uD-5hp6A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		5 LEU L   7
THR L 133
THR L  46
LEU L  14
LEU L 129
 None
 1.27A 3g1uD-5lnkL:
undetectable		 3g1uD-5lnkL:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tov ADENOSYLHOMOCYSTEINA
SE

(Thermotoga
maritima) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 HIS A 123
THR A 124
ASP A 113
LEU A 156
LEU A 150
 None
 1.27A 3g1uD-5tovA:
14.8		 3g1uD-5tovA:
39.34
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.
5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN

(Mycobacterium
tuberculosis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 LEU A 190
THR A  79
THR A 398
LEU A 361
PHE A 402
 None
None
GOL  A 503 (-3.9A)
None
None
 1.27A 3g1uD-5tvjA:
undetectable		 3g1uD-5tvjA:
22.36
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
THR A 212
ASP A 245
LEU A 401
LEU A 404
GLY A 409
HIS A 410
MET A 415
PHE A 419
 None
SAH  A 502 (-4.0A)
SAH  A 502 (-2.7A)
SAH  A 502 (-3.4A)
NAD  A 501 ( 4.1A)
SAH  A 502 (-2.8A)
NAD  A 501 (-4.1A)
SAH  A 502 ( 4.7A)
SAH  A 502 ( 3.7A)
SAH  A 502 ( 3.5A)
SAH  A 502 (-3.6A)
SAH  A 502 (-4.8A)
 0.51A 3g1uD-5utuA:
51.2		 3g1uD-5utuA:
50.50
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) 		5 LEU A  58
ASP A 136
THR A 198
ASP A 231
LEU A 389
 None
ADN  A 502 (-2.9A)
NAD  A 501 ( 2.9A)
ADN  A 502 (-2.8A)
ADN  A 502 ( 4.7A)
 1.20A 3g1uD-5v96A:
56.9		 3g1uD-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
THR A 198
ASP A 231
LEU A 386
LEU A 389
GLY A 394
HIS A 395
MET A 400
PHE A 404
 None
ADN  A 502 ( 3.9A)
ADN  A 502 (-2.9A)
ADN  A 502 (-2.9A)
NAD  A 501 ( 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 ( 3.4A)
ADN  A 502 (-3.8A)
ADN  A 502 (-4.9A)
 0.39A 3g1uD-5v96A:
56.9		 3g1uD-5v96A:
57.20
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 ASP A 190
GLY A 352
HIS A 353
MET A 358
PHE A 362
 NAD  A 501 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.80A 3g1uD-5w4bA:
46.4		 3g1uD-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 ASP A 190
LEU A 344
LEU A 347
GLY A 352
HIS A 353
MET A 358
 NAD  A 501 (-4.1A)
NAD  A 501 (-4.0A)
9W4  A 502 (-4.1A)
9W4  A 502 ( 3.9A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
 0.88A 3g1uD-5w4bA:
46.4		 3g1uD-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
THR A 157
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
 0.64A 3g1uD-5w4bA:
46.4		 3g1uD-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) 		7 LEU A  54
THR A  57
ASP A 131
ASP A 190
HIS A 353
MET A 358
PHE A 362
 None
9W4  A 502 (-2.9A)
None
NAD  A 501 (-4.1A)
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.87A 3g1uD-5w4bA:
46.4		 3g1uD-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
ASP A 190
LEU A 347
HIS A 353
PHE A 362
 9W4  A 502 (-2.9A)
NAD  A 501 (-4.1A)
9W4  A 502 (-4.1A)
NAD  A 501 (-4.5A)
None
 1.33A 3g1uD-5w4bA:
46.4		 3g1uD-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.
5xn8 GLYCEROL
DEHYDROGENASE

(unidentified) 		PF00465
(Fe-ADH) 		5 HIS A 254
ASP A 171
THR A 120
LEU A 250
GLY A 249
 ZN  A 401 (-3.4A)
ZN  A 401 (-2.3A)
None
None
None
 1.22A 3g1uD-5xn8A:
3.1		 3g1uD-5xn8A:
23.19
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.
5ydf PARAFIBROMIN

(Homo sapiens) 		no annotation 5 LEU A  61
THR A  38
LEU A  94
LEU A  98
PHE A  27
 None
 1.32A 3g1uD-5ydfA:
undetectable		 3g1uD-5ydfA:
12.22
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
THR A 162
ASP A 195
LEU A 349
HIS A 358
 None
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 3.5A)
 1.34A 3g1uD-6aphA:
31.0		 3g1uD-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
THR A 162
ASP A 195
LEU A 349
LEU A 352
GLY A 357
HIS A 358
MET A 363
PHE A 367
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
ADN  A 501 (-2.7A)
NAD  A 500 ( 4.3A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.23A 3g1uD-6aphA:
31.0		 3g1uD-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.
6d6j HIT FAMILY HYDROLASE

(Legionella
pneumophila) 		no annotation 5 LEU A  39
HIS A 101
ASP A  29
GLY A  92
PHE A   5
 None
 1.32A 3g1uD-6d6jA:
undetectable		 3g1uD-6d6jA:
13.01
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.
6emg G0S4M2

(Chaetomium
thermophilum) 		no annotation 5 LEU A  14
THR A  23
LEU A  70
LEU A  74
HIS A  30
 None
 1.29A 3g1uD-6emgA:
undetectable		 3g1uD-6emgA:
10.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 11 HIS B  61
THR B  63
ASP B 139
THR B 165
ASP B 198
LEU B 373
LEU B 376
GLY B 381
HIS B 382
MET B 387
PHE B 391
 ADN  B 502 ( 4.0A)
ADN  B 502 (-2.8A)
ZN  B 505 ( 2.5A)
NAD  B 501 ( 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 (-3.4A)
ADN  B 502 (-3.7A)
ADN  B 502 (-4.9A)
 0.41A 3g1uD-6f3mB:
55.1		 3g1uD-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 5 HIS A  56
THR A  61
ASP A 134
THR A 160
ASP A 193
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.6A)
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.7A)
 1.28A 3g1uD-6gbnA:
60.5		 3g1uD-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 5 LEU A  55
ASP A 134
THR A 160
ASP A 193
LEU A 350
 None
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
 1.26A 3g1uD-6gbnA:
60.5		 3g1uD-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
THR A 160
ASP A 193
LEU A 347
LEU A 350
GLY A 355
HIS A 356
MET A 361
PHE A 365
 None
ADN  A 501 (-3.9A)
ADN  A 501 (-2.8A)
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.7A)
NAD  A 502 (-3.9A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.40A 3g1uD-6gbnA:
60.5		 3g1uD-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 5 THR A  61
ASP A 134
THR A 160
ASP A 193
LEU A 350
 ADN  A 501 (-4.6A)
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-2.7A)
ADN  A 501 ( 4.7A)
 1.33A 3g1uD-6gbnA:
60.5		 3g1uD-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.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae) 		PF00566
(RabGAP-TBC) 		4 GLN A 493
THR A 607
GLU A 491
HIS A 575
 None
 1.45A 3g1uD-1fkmA:
undetectable		 3g1uD-1fkmA:
18.92
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.
2kd1 DNA
INTEGRATION/RECOMBIN
ATION/INVERTION
PROTEIN

(Bacillus cereus) 		PF14659
(Phage_int_SAM_3) 		4 GLN A  26
THR A  27
GLU A 112
HIS A 115
 None
 1.43A 3g1uD-2kd1A:
undetectable		 3g1uD-2kd1A:
13.01
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) 		4 GLN A  73
THR A  74
GLU A 218
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
ADN  A 500 ( 3.7A)
 0.79A 3g1uD-3ce6A:
55.9		 3g1uD-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) 		4 GLN A  66
THR A  67
GLU A 199
HIS A 344
 RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 (-4.6A)
RAB  A 602 ( 3.5A)
 0.53A 3g1uD-3glqA:
56.2		 3g1uD-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) 		4 GLN A  56
THR A  57
GLU A 155
HIS A 300
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
None
None
 0.20A 3g1uD-3h9uA:
63.2		 3g1uD-3h9uA:
85.35
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) 		4 GLN A  59
THR A  60
GLU A 192
HIS A 337
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
ADN  A 500 ( 3.6A)
 0.20A 3g1uD-3n58A:
56.4		 3g1uD-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) 		4 GLN A  66
THR A  67
GLU A 205
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
None
 0.25A 3g1uD-3oneA:
53.9		 3g1uD-3oneA:
58.78
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) 		4 GLN A  62
THR A  63
GLU A 197
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.7A)
 0.22A 3g1uD-4lvcA:
58.0		 3g1uD-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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCOP1
CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT II

(Pseudomonas
stutzeri) 		PF02433
(FixO)
PF13442
(Cytochrome_CBB3)
PF14715
(FixP_N) 		4 GLN C  98
THR C  94
GLU C 100
HIS B  85
 None
 1.31A 3g1uD-5djqC:
undetectable		 3g1uD-5djqC:
21.59
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) 		4 GLN A  62
THR A  63
GLU A 161
HIS A 306
 ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
ADN  A 501 ( 3.7A)
 0.85A 3g1uD-6aphA:
31.0		 3g1uD-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.
6f3m -

(-) 		no annotation 4 GLN B  65
THR B  66
GLU B 164
HIS B 323
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ADN  B 502 (-3.6A)
ZN  B 505 (-3.2A)
 0.14A 3g1uD-6f3mB:
55.1		 3g1uD-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 4 GLN A  60
THR A  61
GLU A 159
HIS A 304
 NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
ADN  A 501 ( 3.6A)
 0.26A 3g1uD-6gbnA:
60.5		 3g1uD-6gbnA:
undetectable