SIMILAR PATTERNS OF AMINO ACIDS FOR 3G1U_B_ADNB438_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.27A 3g1uB-1ac5A:
undetectable		 3g1uB-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.
1dcn DELTA 2 CRYSTALLIN

(Anas
platyrhynchos) 		PF00206
(Lyase_1)
PF14698
(ASL_C2) 		5 LEU A  36
HIS A  91
GLN A 328
ASP A 122
THR A 121
 None
 1.28A 3g1uB-1dcnA:
undetectable		 3g1uB-1dcnA:
21.34
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.
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)
 1.26A 3g1uB-1eqwA:
undetectable		 3g1uB-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)
 1.28A 3g1uB-1esoA:
undetectable		 3g1uB-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.
1oal SUPEROXIDE DISMUTASE

(Photobacterium
leiognathi) 		PF00080
(Sod_Cu) 		5 HIS A  88
GLN A  48
ASP A  91
GLY A  69
HIS A  47
 ZN  A 152 (-3.0A)
None
ZN  A 152 (-2.2A)
None
CU  A 153 (-3.1A)
 1.38A 3g1uB-1oalA:
undetectable		 3g1uB-1oalA:
17.35
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.
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
 1.16A 3g1uB-1ogqA:
undetectable		 3g1uB-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
 1.31A 3g1uB-1p49A:
undetectable		 3g1uB-1p49A:
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.
1rrm LACTALDEHYDE
REDUCTASE

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 HIS A 263
ASP A 196
THR A 144
LEU A 259
GLY A 204
 ZN  A 387 ( 3.3A)
ZN  A 387 (-2.6A)
APR  A 389 (-4.0A)
FE2  A 388 ( 4.1A)
None
 1.37A 3g1uB-1rrmA:
3.6		 3g1uB-1rrmA:
25.43
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.
1siq GLUTARYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 LEU A 121
GLN A 100
LEU A 193
LEU A 177
GLY A 131
 None
 1.19A 3g1uB-1siqA:
undetectable		 3g1uB-1siqA:
21.64
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
LEU A 392
HIS A 398
 None
ADN  A 502 (-3.1A)
NAD  A 501 ( 2.8A)
ADN  A 502 ( 4.9A)
ADN  A 502 ( 3.5A)
 1.33A 3g1uB-1v8bA:
55.2		 3g1uB-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) 		11 LEU A  53
HIS A  54
THR A  56
ASP A 134
THR A 201
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)
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
 0.48A 3g1uB-1v8bA:
55.2		 3g1uB-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 3g1uB-1wj4A:
undetectable		 3g1uB-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
GLN A  96
ASP A  33
GLY A  95
 None
 1.22A 3g1uB-1y23A:
undetectable		 3g1uB-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)
 1.23A 3g1uB-2apsA:
undetectable		 3g1uB-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
 1.21A 3g1uB-2culA:
3.5		 3g1uB-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
 1.25A 3g1uB-2eh0A:
undetectable		 3g1uB-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.
2ft3 BIGLYCAN

(Bos taurus) 		PF01462
(LRRNT)
PF13855
(LRR_8) 		5 LEU A 191
LEU A 219
LEU A 222
GLY A 223
HIS A 199
 None
 1.38A 3g1uB-2ft3A:
undetectable		 3g1uB-2ft3A:
24.42
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.
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
 1.08A 3g1uB-2g1lA:
undetectable		 3g1uB-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
 1.30A 3g1uB-2h12A:
undetectable		 3g1uB-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 3g1uB-2hp3A:
undetectable		 3g1uB-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.
2po3 4-DEHYDRASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 THR A1103
THR A1351
LEU A1147
GLY A1144
PHE A1116
 T4K  A1500 ( 4.6A)
None
None
None
None
 1.37A 3g1uB-2po3A:
undetectable		 3g1uB-2po3A:
23.59
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.
2qjo BIFUNCTIONAL NMN
ADENYLYLTRANSFERASE/
NUDIX HYDROLASE

(Synechocystis
sp. PCC 6803) 		PF00293
(NUDIX)
PF01467
(CTP_transf_like) 		5 HIS A 328
GLN A 330
ASP A 205
THR A 203
PHE A 272
 APR  A 501 (-4.0A)
None
APR  A 501 (-2.8A)
APR  A 501 (-3.6A)
None
 1.34A 3g1uB-2qjoA:
2.4		 3g1uB-2qjoA:
21.76
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.
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)
 1.00A 3g1uB-2vnuD:
undetectable		 3g1uB-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)
 1.27A 3g1uB-2wabA:
4.4		 3g1uB-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.
2wab ENDOGLUCANASE E

(Ruminiclostridium
thermocellum) 		PF00657
(Lipase_GDSL) 		5 THR A 315
GLN A 299
GLY A 306
HIS A 310
MET A 263
 GOL  A1341 (-3.7A)
None
None
BGC  A1338 (-4.0A)
BGC  A1337 (-4.5A)
 1.34A 3g1uB-2wabA:
4.4		 3g1uB-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
 1.29A 3g1uB-2wm4A:
undetectable		 3g1uB-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.
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
 1.28A 3g1uB-2xf8A:
5.2		 3g1uB-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 3g1uB-2yh0A:
undetectable		 3g1uB-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
 1.35A 3g1uB-2ylnA:
undetectable		 3g1uB-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.
3a71 EXO-ARABINANASE

(Penicillium
chrysogenum) 		no annotation 5 THR A 288
GLN A 312
LEU A 360
GLY A 310
HIS A 335
 None
None
MPD  A 402 ( 4.7A)
None
None
 1.35A 3g1uB-3a71A:
undetectable		 3g1uB-3a71A:
18.59
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 HIS A 615
ASP A 744
THR A 688
LEU A 613
GLY A 640
 None
 1.35A 3g1uB-3ak5A:
undetectable		 3g1uB-3ak5A:
19.04
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.
3b1r RIBOKINASE, PUTATIVE

(Burkholderia
thailandensis) 		PF00294
(PfkB) 		5 THR A 271
ASP A 300
LEU A  60
GLY A 262
HIS A 265
 None
 1.04A 3g1uB-3b1rA:
4.6		 3g1uB-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) 		12 LEU A  68
HIS A  69
THR A  71
GLN A  73
ASP A 156
THR A 219
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 (-3.6A)
ADN  A 500 (-2.9A)
NAD  A 550 ( 2.8A)
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)
 0.18A 3g1uB-3ce6A:
55.7		 3g1uB-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.
3eqe PUTATIVE CYSTEIN
DIOXYGENASE

(Bacillus
subtilis) 		PF05995
(CDO_I) 		5 HIS A 139
THR A  72
LEU A 117
GLY A  82
HIS A  77
 None
None
None
None
FE  A 202 (-3.6A)
 0.96A 3g1uB-3eqeA:
undetectable		 3g1uB-3eqeA:
15.10
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.
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)
 1.10A 3g1uB-3f2iA:
undetectable		 3g1uB-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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 LEU A 187
LEU A  75
LEU A  99
GLY A  96
HIS A  25
 None
 1.36A 3g1uB-3fsgA:
5.6		 3g1uB-3fsgA:
20.63
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.
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 3g1uB-3ga7A:
5.2		 3g1uB-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) 		12 LEU A  61
HIS A  62
THR A  64
GLN A  66
ASP A 139
THR A 200
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 (-3.9A)
RAB  A 602 (-3.0A)
NAD  A 601 ( 2.9A)
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
 0.25A 3g1uB-3glqA:
55.7		 3g1uB-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
 1.20A 3g1uB-3h2yA:
3.0		 3g1uB-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) 		12 LEU A  51
HIS A  52
THR A  54
GLN A  56
ASP A 130
THR A 156
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)
ADN  A 439 (-3.6A)
None
NAD  A 438 (-3.8A)
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
 0.37A 3g1uB-3h9uA:
62.6		 3g1uB-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
 1.27A 3g1uB-3higA:
undetectable		 3g1uB-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.
3jur EXO-POLY-ALPHA-D-GAL
ACTURONOSIDASE

(Thermotoga
maritima) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		5 ASP A 134
THR A  87
LEU A  70
GLY A  72
PHE A 192
 None
 1.35A 3g1uB-3jurA:
undetectable		 3g1uB-3jurA:
23.33
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.
3jwe MGLL PROTEIN

(Homo sapiens) 		PF12146
(Hydrolase_4) 		5 LEU A  29
THR A  20
GLN A  22
GLY A  91
HIS A  64
 None
 1.28A 3g1uB-3jweA:
5.7		 3g1uB-3jweA:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.24A 3g1uB-3k20A:
4.4		 3g1uB-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.
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
 1.37A 3g1uB-3msuA:
undetectable		 3g1uB-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 HIS A  55
THR A  60
ASP A 132
THR A 193
HIS A 387
 ADN  A 500 (-4.0A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
ADN  A 500 (-3.4A)
 1.37A 3g1uB-3n58A:
55.8		 3g1uB-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
THR A 193
LEU A 378
HIS A 387
 None
ADN  A 500 (-4.0A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
NAD  A 550 (-4.3A)
ADN  A 500 (-3.4A)
 1.48A 3g1uB-3n58A:
55.8		 3g1uB-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
GLN A  59
ASP A 132
THR A 193
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)
K  A   2 ( 3.3A)
ADN  A 500 (-3.3A)
NAD  A 550 ( 3.0A)
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
 0.23A 3g1uB-3n58A:
55.8		 3g1uB-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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 HIS A 154
ASP A 245
THR A 255
GLY A 169
HIS A 168
 MN  A1602 (-3.3A)
MN  A1602 (-2.2A)
None
None
None
 1.30A 3g1uB-3nioA:
undetectable		 3g1uB-3nioA:
22.83
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
THR A  67
ASP A 139
THR A 206
HIS A 404
 ADE  A 506 (-4.6A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
ADE  A 506 (-3.4A)
 1.36A 3g1uB-3oneA:
53.3		 3g1uB-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) 		5 LEU A  61
ASP A 139
THR A 206
LEU A 398
HIS A 404
 None
None
NAD  A 501 (-2.8A)
ADE  A 506 ( 4.7A)
ADE  A 506 (-3.4A)
 1.29A 3g1uB-3oneA:
53.3		 3g1uB-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
GLN A  66
ASP A 139
THR A 206
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)
ADE  A 506 (-3.8A)
None
NAD  A 501 (-2.8A)
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)
 0.56A 3g1uB-3oneA:
53.3		 3g1uB-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.
3q60 ROP5B

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		5 LEU A 376
GLN A 448
LEU A 411
GLY A 388
HIS A 389
 None
 1.29A 3g1uB-3q60A:
undetectable		 3g1uB-3q60A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qk7 TRANSCRIPTIONAL
REGULATORS

(Yersinia pestis) 		PF00532
(Peripla_BP_1) 		5 LEU A 225
THR A 193
LEU A 206
LEU A 212
GLY A 213
 None
 1.38A 3g1uB-3qk7A:
undetectable		 3g1uB-3qk7A:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.27A 3g1uB-3sl1A:
undetectable		 3g1uB-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.
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
 1.34A 3g1uB-3u9iA:
undetectable		 3g1uB-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.
3uof BACTERIOFERRITIN

(Mycobacterium
tuberculosis) 		PF00210
(Ferritin) 		5 GLN A   2
ASP A 113
THR A 115
LEU A  11
GLY A  67
 None
 1.33A 3g1uB-3uofA:
undetectable		 3g1uB-3uofA:
16.86
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.
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
 1.31A 3g1uB-3wbkA:
2.3		 3g1uB-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
 1.33A 3g1uB-3wqbB:
undetectable		 3g1uB-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.
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
 1.10A 3g1uB-4egxA:
undetectable		 3g1uB-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
 1.04A 3g1uB-4ejqA:
undetectable		 3g1uB-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.
4fxb PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 LEU A 325
GLN A 359
LEU A  68
GLY A 356
HIS A 358
 HEM  A 501 (-4.8A)
None
None
None
HEM  A 501 (-3.2A)
 1.24A 3g1uB-4fxbA:
undetectable		 3g1uB-4fxbA:
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.
4g54 GENERAL SECRETION
PATHWAY PROTEIN

(Vibrio
vulnificus) 		PF01471
(PG_binding_1) 		5 LEU A 479
GLN A 505
LEU A 459
LEU A 521
GLY A 517
 None
 1.37A 3g1uB-4g54A:
undetectable		 3g1uB-4g54A:
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.
4h2x AMINO
ACID--[ACYL-CARRIER-
PROTEIN] LIGASE 1

(Agrobacterium
fabrum;
Bradyrhizobium
diazoefficiens) 		no annotation 5 LEU B 242
HIS B 293
THR B 207
GLY B 296
HIS B 295
 None
 1.00A 3g1uB-4h2xB:
undetectable		 3g1uB-4h2xB:
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.
4iv9 TRYPTOPHAN
2-MONOOXYGENASE

(Pseudomonas
savastanoi) 		PF01593
(Amino_oxidase) 		5 LEU A 281
LEU A 528
GLY A 105
HIS A 108
PHE A 113
 None
 1.37A 3g1uB-4iv9A:
2.7		 3g1uB-4iv9A:
23.18
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.
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)
 1.28A 3g1uB-4ixuA:
2.0		 3g1uB-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.
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)
 1.29A 3g1uB-4kryA:
undetectable		 3g1uB-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 HIS A  58
THR A  63
ASP A 135
THR A 198
HIS A 392
 ADN  A 501 (-4.0A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
ADN  A 501 (-3.5A)
 1.32A 3g1uB-4lvcA:
57.7		 3g1uB-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
GLN A  62
ASP A 135
THR A 198
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)
NH4  A 502 ( 3.1A)
ADN  A 501 (-3.0A)
NAD  A 503 ( 2.9A)
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)
 0.40A 3g1uB-4lvcA:
57.7		 3g1uB-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.
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
 1.30A 3g1uB-4mz0A:
undetectable		 3g1uB-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
 1.31A 3g1uB-4n3sA:
3.0		 3g1uB-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
 1.12A 3g1uB-4oj5A:
undetectable		 3g1uB-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.
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 3g1uB-4utgA:
undetectable		 3g1uB-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.
4x81 MYCINAMICIN III
3''-O-METHYLTRANSFER
ASE

(Micromonospora
griseorubida) 		PF05711
(TylF) 		5 LEU A 200
THR A  84
LEU A 183
LEU A 207
GLY A 211
 None
 1.29A 3g1uB-4x81A:
3.9		 3g1uB-4x81A:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xa7 NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT C

(Vibrio harveyi) 		PF04205
(FMN_bind) 		5 GLN A 192
THR A 238
LEU A 225
GLY A 224
PHE A 193
 None
 1.36A 3g1uB-4xa7A:
undetectable		 3g1uB-4xa7A:
20.50
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.
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
 1.21A 3g1uB-4zmiA:
undetectable		 3g1uB-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.
5gj3 PERIPLASMIC BINDING
PROTEIN

(Roseiflexus sp.
RS-1) 		PF01497
(Peripla_BP_2) 		5 LEU A 236
THR A 317
GLN A 288
LEU A 314
GLY A 313
 None
 1.34A 3g1uB-5gj3A:
3.5		 3g1uB-5gj3A:
20.40
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.
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 3g1uB-5gs0A:
undetectable		 3g1uB-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.
5htp PROBABLE SUGAR
KINASE

(Synechococcus
elongatus) 		PF02782
(FGGY_C) 		5 LEU A 410
THR A 220
LEU A 272
LEU A 267
GLY A 268
 None
 1.38A 3g1uB-5htpA:
undetectable		 3g1uB-5htpA:
20.36
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.
5k0y EUKARYOTIC
INITIATION FACTOR 2
GAMMA SUBUNIT
(EIF2-GAMMA)

(Oryctolagus
cuniculus) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 GLN S 182
THR S 227
LEU S 391
LEU S 395
GLY S 396
 None
 1.36A 3g1uB-5k0yS:
undetectable		 3g1uB-5k0yS:
22.78
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.
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
 1.30A 3g1uB-5lnkL:
undetectable		 3g1uB-5lnkL:
21.15
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) 		11 LEU A  52
HIS A  53
THR A  55
ASP A 137
THR A 212
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)
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 3g1uB-5utuA:
50.5		 3g1uB-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 HIS A  59
THR A  64
ASP A 136
THR A 198
HIS A 395
 ADN  A 502 ( 3.9A)
ADN  A 502 (-4.4A)
ADN  A 502 (-2.9A)
NAD  A 501 ( 2.9A)
ADN  A 502 ( 3.4A)
 1.31A 3g1uB-5v96A:
56.5		 3g1uB-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) 		11 LEU A  58
HIS A  59
THR A  61
ASP A 136
THR A 198
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)
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)
 0.41A 3g1uB-5v96A:
56.5		 3g1uB-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
 1.32A 3g1uB-5vfzA:
undetectable		 3g1uB-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) 		7 LEU A  54
HIS A  55
THR A  57
ASP A 131
HIS A 353
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.68A 3g1uB-5w4bA:
50.0		 3g1uB-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
HIS A  55
THR A  57
ASP A 131
THR A 157
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
None
9W4  A 502 (-3.6A)
None
 0.56A 3g1uB-5w4bA:
50.0		 3g1uB-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 LEU A 344
LEU A 347
GLY A 352
HIS A 353
MET A 358
 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)
 0.80A 3g1uB-5w4bA:
50.0		 3g1uB-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
 1.24A 3g1uB-5xn8A:
undetectable		 3g1uB-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
 1.33A 3g1uB-5ydfA:
undetectable		 3g1uB-5ydfA:
12.22
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.
5ykb TREHALOSE SYNTHASE

(Deinococcus
radiodurans) 		no annotation 5 LEU A  43
LEU A 444
LEU A 451
MET A 405
PHE A  22
 None
 1.33A 3g1uB-5ykbA:
2.1		 3g1uB-5ykbA:
21.18
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 HIS A  58
THR A  63
ASP A 136
THR A 162
HIS A 358
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.5A)
 1.33A 3g1uB-6aphA:
60.3		 3g1uB-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
GLN A  62
ASP A 136
THR A 162
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 (-3.8A)
ADN  A 501 (-3.0A)
NAD  A 500 ( 2.9A)
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
 0.22A 3g1uB-6aphA:
60.3		 3g1uB-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
GLN A  93
ASP A  29
GLY A  92
 None
 1.37A 3g1uB-6d6jA:
undetectable		 3g1uB-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
 1.33A 3g1uB-6emgA:
undetectable		 3g1uB-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
GLN B  65
ASP B 139
THR B 165
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)
K  B 504 ( 3.0A)
ZN  B 505 ( 2.5A)
NAD  B 501 ( 2.8A)
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)
 0.40A 3g1uB-6f3mB:
54.6		 3g1uB-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 5 HIS B  61
THR B  66
ASP B 139
THR B 165
HIS B 382
 ADN  B 502 ( 4.0A)
ADN  B 502 (-4.6A)
ZN  B 505 ( 2.5A)
NAD  B 501 ( 2.8A)
ADN  B 502 (-3.4A)
 1.36A 3g1uB-6f3mB:
54.6		 3g1uB-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
HIS A 356
 ADN  A 501 (-3.9A)
ADN  A 501 (-4.6A)
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 (-3.4A)
 1.32A 3g1uB-6gbnA:
59.8		 3g1uB-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
GLN A  60
ASP A 134
THR A 160
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)
NA  A 503 ( 3.2A)
ADN  A 501 (-2.9A)
NAD  A 502 ( 2.8A)
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
 0.42A 3g1uB-6gbnA:
59.8		 3g1uB-6gbnA:
undetectable