SIMILAR PATTERNS OF AMINO ACIDS FOR 3H9U_D_ADND438_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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 LEU A 633
THR A 539
LEU A 643
GLY A 621
PHE A 602
 None
 1.24A 3h9uD-1g8kA:
undetectable		 3h9uD-1g8kA:
20.22
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.
1h3e TYROSYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		5 LEU A 269
LEU A 243
GLY A 242
HIS A  52
MET A 233
 None
None
None
ATP  A1433 (-4.3A)
None
 1.43A 3h9uD-1h3eA:
undetectable		 3h9uD-1h3eA:
20.17
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.
1pk1 POLYHOMEOTIC-PROXIMA
L CHROMATIN PROTEIN
SEX COMB ON MIDLEG
CG9495-PA

(Drosophila
melanogaster) 		PF00536
(SAM_1) 		5 LEU A  57
HIS A  56
GLN A  42
LEU B  70
GLY B  67
 None
 1.46A 3h9uD-1pk1A:
undetectable		 3h9uD-1pk1A:
12.50
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) 		8 LEU A  53
HIS A  54
THR A  56
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 ( 4.9A)
ADN  A 502 ( 3.7A)
ADN  A 502 ( 3.5A)
ADN  A 502 (-3.6A)
None
 0.21A 3h9uD-1v8bA:
55.3		 3h9uD-1v8bA:
51.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vb3 THREONINE SYNTHASE

(Escherichia
coli) 		PF00291
(PALP)
PF14821
(Thr_synth_N) 		5 LEU A  59
GLN A 116
HIS A 120
MET A 117
PHE A 113
 None
 1.42A 3h9uD-1vb3A:
2.0		 3h9uD-1vb3A:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7u GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 LEU A  55
HIS A 408
THR A 416
LEU A 404
GLY A 330
 None
 1.28A 3h9uD-2e7uA:
undetectable		 3h9uD-2e7uA:
24.13
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.27A 3h9uD-2eh0A:
undetectable		 3h9uD-2eh0A:
15.24
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.
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
 1.12A 3h9uD-2g1lA:
undetectable		 3h9uD-2g1lA:
14.25
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.
2g5c PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF02153
(PDH) 		5 THR A 120
LEU A 172
GLY A 145
MET A  96
PHE A  94
 None
 1.49A 3h9uD-2g5cA:
3.5		 3h9uD-2g5cA:
20.81
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.
2g5c PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF02153
(PDH) 		5 THR A 120
LEU A 172
GLY A 146
MET A  96
PHE A  94
 None
 1.17A 3h9uD-2g5cA:
3.5		 3h9uD-2g5cA:
20.81
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.
2j7n RNA-DEPENDENT RNA
POLYMERASE

(Neurospora
crassa) 		PF05183
(RdRP) 		5 LEU A 657
THR A1065
GLY A1057
MET A1051
PHE A1047
 None
 1.24A 3h9uD-2j7nA:
undetectable		 3h9uD-2j7nA:
18.10
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.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		5 LEU A 133
HIS A 106
GLN A 128
THR A 131
GLY A 125
 None
 1.39A 3h9uD-2nypA:
undetectable		 3h9uD-2nypA:
21.53
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.
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)
 1.33A 3h9uD-2wabA:
5.8		 3h9uD-2wabA:
21.67
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.
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)
 1.37A 3h9uD-2wabA:
5.8		 3h9uD-2wabA:
21.67
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		5 LEU A 220
THR A  99
THR A 217
GLY A  89
HIS A  90
 None
 1.24A 3h9uD-3ayfA:
undetectable		 3h9uD-3ayfA:
19.21
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) 		10 LEU A  68
HIS A  69
THR A  71
GLN A  73
THR A  74
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 (-4.5A)
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)
 0.17A 3h9uD-3ce6A:
56.1		 3h9uD-3ce6A:
56.91
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.
3egj N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Vibrio cholerae) 		PF01979
(Amidohydro_1) 		5 HIS A 192
THR A 167
THR A 212
LEU A 132
GLY A 129
 NI  A 401 (-3.4A)
None
None
None
None
 1.40A 3h9uD-3egjA:
undetectable		 3h9uD-3egjA:
22.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		10 LEU A  51
HIS A  52
THR A  54
GLN A  56
THR A  57
LEU A 346
GLY A 351
HIS A 352
MET A 357
PHE A 361
 None
ADN  A 438 (-4.0A)
ADN  A 438 (-2.8A)
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
ADN  A 438 ( 4.8A)
ADN  A 438 ( 3.8A)
ADN  A 438 ( 3.6A)
ADN  A 438 (-3.7A)
None
 0.17A 3h9uD-3g1uA:
63.3		 3h9uD-3g1uA:
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.
3ggg PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		no annotation 5 THR D 120
LEU D 172
GLY D 145
MET D  96
PHE D  94
 None
 1.41A 3h9uD-3gggD:
3.3		 3h9uD-3gggD:
22.27
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.
3ggg PREPHENATE
DEHYDROGENASE

(Aquifex
aeolicus) 		no annotation 5 THR D 120
LEU D 172
GLY D 146
MET D  96
PHE D  94
 None
 1.08A 3h9uD-3gggD:
3.3		 3h9uD-3gggD:
22.27
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) 		10 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
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 (-4.5A)
RAB  A 602 ( 4.7A)
RAB  A 602 ( 3.8A)
NAD  A 601 ( 3.6A)
RAB  A 602 (-3.6A)
None
 0.17A 3h9uD-3glqA:
58.6		 3h9uD-3glqA:
57.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.34A 3h9uD-3jweA:
6.0		 3h9uD-3jweA:
22.35
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.
3k5h PHOSPHORIBOSYL-AMINO
IMIDAZOLE
CARBOXYLASE

(Aspergillus
clavatus) 		PF01262
(AlaDh_PNT_C)
PF02222
(ATP-grasp) 		5 HIS A 273
THR A 209
GLY A 276
HIS A 277
MET A 313
 None
 1.41A 3h9uD-3k5hA:
3.5		 3h9uD-3k5hA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mbw EPHRIN TYPE-A
RECEPTOR 2
EPHRIN-A1

(Homo sapiens) 		PF00812
(Ephrin)
PF01404
(Ephrin_lbd) 		5 LEU A 163
THR A 101
LEU B 116
GLY B 117
MET A  66
 None
 1.43A 3h9uD-3mbwA:
undetectable		 3h9uD-3mbwA:
21.41
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) 		10 LEU A  54
HIS A  55
THR A  57
GLN A  59
THR A  60
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 (-4.6A)
ADN  A 500 ( 4.8A)
ADN  A 500 (-3.7A)
ADN  A 500 (-3.4A)
ADN  A 500 (-3.7A)
None
 0.21A 3h9uD-3n58A:
58.6		 3h9uD-3n58A:
61.02
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) 		10 LEU A  61
HIS A  62
THR A  64
GLN A  66
THR A  67
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)
ADE  A 506 (-4.5A)
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)
 0.50A 3h9uD-3oneA:
56.4		 3h9uD-3oneA:
59.96
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.
3rq0 GLYCOSYL HYDROLASES
FAMILY PROTEIN 16

(Mycolicibacterium
smegmatis) 		PF00722
(Glyco_hydro_16) 		5 LEU A 143
GLN A 194
THR A 193
GLY A 121
HIS A 122
 None
 1.31A 3h9uD-3rq0A:
undetectable		 3h9uD-3rq0A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vsk PENICILLIN-BINDING
PROTEIN 3

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 LEU A 531
GLN A 548
THR A 495
GLY A 573
HIS A 550
 None
 1.28A 3h9uD-3vskA:
undetectable		 3h9uD-3vskA:
21.40
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.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 255
THR A 152
THR A 149
GLY A 172
HIS A 171
 None
 1.44A 3h9uD-3wsvA:
5.6		 3h9uD-3wsvA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 3h9uD-4egxA:
undetectable		 3h9uD-4egxA:
18.35
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.
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
 1.06A 3h9uD-4ejqA:
undetectable		 3h9uD-4ejqA:
16.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.29A 3h9uD-4fxbA:
undetectable		 3h9uD-4fxbA:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kk7 ESX-1 SECRETION
SYSTEM PROTEIN ECCB1

(Mycobacterium
tuberculosis) 		PF05108
(T7SS_ESX1_EccB) 		5 LEU A 451
THR A 137
THR A  99
LEU A 431
GLY A 430
 None
 1.49A 3h9uD-4kk7A:
undetectable		 3h9uD-4kk7A:
20.92
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) 		10 LEU A  57
HIS A  58
THR A  60
GLN A  62
THR A  63
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 (-4.5A)
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)
 0.14A 3h9uD-4lvcA:
57.8		 3h9uD-4lvcA:
58.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.29A 3h9uD-4utgA:
undetectable		 3h9uD-4utgA:
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.
4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN

(Mycolicibacterium
fortuitum) 		PF00722
(Glyco_hydro_16) 		5 LEU A 156
GLN A 207
THR A 206
GLY A 134
HIS A 135
 LEU  A 156 ( 0.5A)
GLN  A 207 ( 0.6A)
THR  A 206 ( 0.8A)
GLY  A 134 (-0.0A)
HIS  A 135 ( 1.0A)
 1.31A 3h9uD-4w65A:
undetectable		 3h9uD-4w65A:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
vulgaris) 		PF03480
(DctP) 		5 LEU A 116
THR A 248
THR A 103
LEU A 141
GLY A 151
 None
 1.24A 3h9uD-4xeqA:
undetectable		 3h9uD-4xeqA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ehd NUCLEOPHOSMIN

(Homo sapiens) 		PF03066
(Nucleoplasmin) 		5 LEU A  57
HIS A  58
GLN A  84
THR A  78
LEU A  49
 None
 1.47A 3h9uD-5ehdA:
undetectable		 3h9uD-5ehdA:
13.33
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.
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 3h9uD-5gj3A:
3.3		 3h9uD-5gj3A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jkn PROTEIN FAM63A

(Homo sapiens) 		PF04424
(MINDY_DUB) 		5 THR A 295
THR A 290
LEU A 241
GLY A 239
HIS A 238
 None
 1.41A 3h9uD-5jknA:
undetectable		 3h9uD-5jknA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 LEU A  95
GLN A 222
LEU A 184
GLY A 156
PHE A 226
 None
 1.38A 3h9uD-5jn9A:
undetectable		 3h9uD-5jn9A:
19.46
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) 		9 LEU A  52
HIS A  53
THR A  55
THR A  58
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 (-4.2A)
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)
 0.19A 3h9uD-5utuA:
53.2		 3h9uD-5utuA:
51.70
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) 		9 LEU A  58
HIS A  59
THR A  61
THR A  64
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 (-4.4A)
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)
 0.15A 3h9uD-5v96A:
57.1		 3h9uD-5v96A:
55.69
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 LEU A  54
HIS A  55
THR A  57
THR A  60
MET A 358
PHE A 362
 None
9W4  A 502 (-3.7A)
9W4  A 502 (-2.9A)
None
9W4  A 502 (-3.6A)
None
 0.28A 3h9uD-5w4bA:
52.3		 3h9uD-5w4bA:
72.08
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  54
THR A  60
HIS A 353
MET A 358
PHE A 362
 None
None
NAD  A 501 (-4.5A)
9W4  A 502 (-3.6A)
None
 0.72A 3h9uD-5w4bA:
52.3		 3h9uD-5w4bA:
72.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgs RCC1-LIKE G
EXCHANGING
FACTOR-LIKE PROTEIN

(Homo sapiens) 		PF00415
(RCC1)
PF13540
(RCC1_2) 		5 LEU A 187
HIS A 185
GLY A 255
HIS A 241
PHE A 244
 None
 1.39A 3h9uD-5xgsA:
undetectable		 3h9uD-5xgsA:
22.55
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) 		10 LEU A  57
HIS A  58
THR A  60
GLN A  62
THR A  63
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 (-4.5A)
ADN  A 501 ( 4.8A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.5A)
ADN  A 501 (-3.7A)
None
 0.14A 3h9uD-6aphA:
63.2		 3h9uD-6aphA:
66.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 9 HIS B  61
THR B  63
GLN B  65
THR B  66
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)
ADN  B 502 (-4.6A)
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)
 0.14A 3h9uD-6f3mB:
57.1		 3h9uD-6f3mB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 HIS A 188
THR A 162
THR A 208
LEU A 126
GLY A 123
 CD  A 403 ( 3.6A)
None
None
None
None
 1.41A 3h9uD-6fv4A:
undetectable		 3h9uD-6fv4A:
10.43
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.
6fv4 N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		no annotation 5 LEU A  57
THR A 307
THR A 266
LEU A  79
GLY A 273
 None
 1.47A 3h9uD-6fv4A:
undetectable		 3h9uD-6fv4A:
10.43
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.
6gbn -

(-) 		no annotation 10 LEU A  55
HIS A  56
THR A  58
GLN A  60
THR A  61
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 (-4.6A)
ADN  A 501 ( 4.7A)
ADN  A 501 (-3.8A)
ADN  A 501 (-3.4A)
ADN  A 501 (-3.6A)
None
 0.14A 3h9uD-6gbnA:
62.3		 3h9uD-6gbnA:
undetectable