SIMILAR PATTERNS OF AMINO ACIDS FOR 4AE1_B_NCAB1536_0

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.
1a5c FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Plasmodium
falciparum) 		PF00274
(Glycolytic) 		4 HIS A 203
GLY A 243
TYR A 244
GLU A 196
 None
 1.27A 4ae1B-1a5cA:
0.0		 4ae1B-1a5cA:
22.22
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.
1b8g PROTEIN
(1-AMINOCYCLOPROPANE
-1-CARBOXYLATE
SYNTHASE)

(Malus domestica) 		PF00155
(Aminotran_1_2) 		4 HIS A 389
GLY A  39
TYR A 386
GLU A  25
 None
 1.36A 4ae1B-1b8gA:
0.0		 4ae1B-1b8gA:
23.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ccw PROTEIN (GLUTAMATE
MUTASE)

(Clostridium
cochlearium) 		PF06368
(Met_asp_mut_E) 		4 HIS B 291
GLY B 251
TYR B 252
GLU B 254
 TAR  B 900 (-4.7A)
None
None
None
 1.46A 4ae1B-1ccwB:
0.0		 4ae1B-1ccwB:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 HIS A 655
GLY A 424
TYR A 425
GLU A 370
 MCN  A 914 (-3.6A)
2MO  A 910 ( 3.5A)
None
None
 1.29A 4ae1B-1dgjA:
0.0		 4ae1B-1dgjA:
21.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1dtp DIPHTHERIA TOXIN

(Corynephage
beta) 		PF02763
(Diphtheria_C) 		5 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 APU  A 200 ( 3.3A)
APU  A 200 ( 4.0A)
APU  A 200 ( 4.0A)
APU  A 200 ( 3.6A)
None
 0.41A 4ae1B-1dtpA:
22.9		 4ae1B-1dtpA:
99.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1efy POLY (ADP-RIBOSE)
POLYMERASE

(Gallus gallus) 		PF00644
(PARP)
PF02877
(PARP_reg) 		5 HIS A 862
GLY A 863
TYR A 896
TYR A 907
GLU A 988
 BZC  A 201 (-4.0A)
BZC  A 201 (-3.9A)
BZC  A 201 (-4.0A)
BZC  A 201 (-3.6A)
BZC  A 201 (-4.0A)
 0.46A 4ae1B-1efyA:
0.1		 4ae1B-1efyA:
21.45
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.
1gxs P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
A
P-(S)-HYDROXYMANDELO
NITRILE LYASE CHAIN
B

(Sorghum
bicolor;
Sorghum bicolor) 		PF00450
(Peptidase_S10)
PF00450
(Peptidase_S10) 		4 HIS B 308
GLY A  26
TYR A  25
GLU A   6
 None
 1.25A 4ae1B-1gxsB:
0.0		 4ae1B-1gxsB:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ikp EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 HIS A 440
GLY A 441
TYR A 470
TYR A 481
GLU A 553
 None
 0.38A 4ae1B-1ikpA:
8.3		 4ae1B-1ikpA:
22.76
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.
1jdi L-RIBULOSE 5
PHOSPHATE
4-EPIMERASE

(Escherichia
coli) 		PF00596
(Aldolase_II) 		4 HIS A 118
GLY A 124
TYR A 121
TYR A 219
 None
 1.43A 4ae1B-1jdiA:
undetectable		 4ae1B-1jdiA:
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.
1np7 DNA PHOTOLYASE

(Synechocystis
sp. PCC 6803) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 HIS A 107
GLY A 137
TYR A 106
GLU A 118
 None
 1.32A 4ae1B-1np7A:
undetectable		 4ae1B-1np7A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhb HALOPEROXIDASE

(Corallina
officinalis) 		PF01569
(PAP2) 		4 GLY A 482
TYR A 552
TYR A 481
GLU A 158
 None
 1.45A 4ae1B-1qhbA:
undetectable		 4ae1B-1qhbA:
22.10
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.
1qhb HALOPEROXIDASE

(Corallina
officinalis) 		PF01569
(PAP2) 		4 HIS A 551
TYR A 552
TYR A 481
GLU A 158
 PO4  A3000 ( 4.0A)
None
None
None
 1.45A 4ae1B-1qhbA:
undetectable		 4ae1B-1qhbA:
22.10
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.
1s8h PHOSPHOLIPASE A2
HOMOLOG

(Agkistrodon
contortrix) 		PF00068
(Phospholip_A2_1) 		4 HIS A  33
GLY A  30
TYR A 120
TYR A  25
 None
 1.18A 4ae1B-1s8hA:
undetectable		 4ae1B-1s8hA:
12.09
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.
2c1h DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Prosthecochloris
vibrioformis) 		PF00490
(ALAD) 		4 HIS A 277
TYR A 319
TYR A 282
GLU A 296
 None
 1.47A 4ae1B-2c1hA:
undetectable		 4ae1B-2c1hA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dzd PYRUVATE CARBOXYLASE

(Geobacillus
thermodenitrificans) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 HIS A  45
GLY A  15
TYR A  47
TYR A  44
 None
 1.34A 4ae1B-2dzdA:
undetectable		 4ae1B-2dzdA:
23.46
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		4 HIS A 332
GLY A 326
TYR A 331
GLU A 335
 None
 1.30A 4ae1B-2f2aA:
undetectable		 4ae1B-2f2aA:
22.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2grm PRGX

(Enterococcus
faecalis) 		PF01381
(HTH_3) 		4 GLY A 115
TYR A 109
TYR A 116
GLU A  78
 None
 1.19A 4ae1B-2grmA:
undetectable		 4ae1B-2grmA:
20.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h5g DELTA
1-PYRROLINE-5-CARBOX
YLATE SYNTHETASE

(Homo sapiens) 		PF00171
(Aldedh) 		4 HIS A 585
GLY A 692
TYR A 691
GLU A 676
 None
 1.34A 4ae1B-2h5gA:
undetectable		 4ae1B-2h5gA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kon UNCHARACTERIZED
PROTEIN

(Chromobacterium
violaceum) 		no annotation 4 HIS A  15
GLY A  14
TYR A  17
TYR A  27
 None
 1.28A 4ae1B-2konA:
undetectable		 4ae1B-2konA:
12.00
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.
2kqe APRATAXIN AND
PNK-LIKE FACTOR

(Homo sapiens) 		PF10283
(zf-CCHH) 		4 HIS A 440
GLY A 424
TYR A 438
TYR A 423
 ZN  A1001 (-3.2A)
None
None
ADN  A1002 ( 2.7A)
 1.47A 4ae1B-2kqeA:
undetectable		 4ae1B-2kqeA:
9.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2n5k RIBONUCLEASE ZC3H12A

(Mus musculus) 		no annotation 4 HIS A 322
GLY A 315
TYR A 308
TYR A 314
 ZN  A 400 (-3.1A)
None
None
None
 1.42A 4ae1B-2n5kA:
undetectable		 4ae1B-2n5kA:
4.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2og9 MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 143
TYR A 328
TYR A 145
GLU A 306
 None
 1.24A 4ae1B-2og9A:
2.8		 4ae1B-2og9A:
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.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A 564
GLY A 565
TYR A 596
TYR A 607
 GAB  A 701 ( 3.7A)
GAB  A 701 (-3.6A)
GAB  A 701 (-4.5A)
GAB  A 701 (-3.3A)
 0.35A 4ae1B-2pqfA:
5.9		 4ae1B-2pqfA:
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.
2qvw GLP_546_48378_50642

(Giardia
intestinalis) 		PF00636
(Ribonuclease_3)
PF02170
(PAZ) 		4 HIS A 568
GLY A 734
TYR A 567
TYR A 565
 None
 1.47A 4ae1B-2qvwA:
undetectable		 4ae1B-2qvwA:
21.05
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.
2yfs LEVANSUCRASE

(Lactobacillus
johnsonii) 		PF02435
(Glyco_hydro_68) 		4 GLY A 400
TYR A 403
TYR A 405
GLU A 447
 None
 1.36A 4ae1B-2yfsA:
undetectable		 4ae1B-2yfsA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 HIS A 152
GLY A  94
TYR A 159
GLU A 156
 None
 1.46A 4ae1B-3ahiA:
undetectable		 4ae1B-3ahiA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE

(Bifidobacterium
longum) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		4 HIS A 152
GLY A  94
TYR A 159
GLU A 156
 None
 1.44A 4ae1B-3ai7A:
undetectable		 4ae1B-3ai7A:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b78 EXOTOXIN A

(Pseudomonas
aeruginosa) 		PF09009
(Exotox-A_cataly) 		5 HIS B 440
GLY B 441
TYR B 470
TYR B 481
GLU B 553
 NAD  B 700 (-3.9A)
NAD  B 700 (-3.9A)
NAD  B 700 (-3.9A)
NAD  B 700 (-3.4A)
NAD  B 700 (-3.5A)
 0.38A 4ae1B-3b78B:
7.0		 4ae1B-3b78B:
15.49
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.
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		5 HIS A 384
GLY A 385
TYR A 414
TYR A 425
GLU A 514
 KU8  A 601 (-4.0A)
KU8  A 601 (-3.5A)
KU8  A 601 (-4.1A)
KU8  A 601 (-3.5A)
KU8  A 601 (-3.9A)
 0.56A 4ae1B-3c49A:
6.2		 4ae1B-3c49A:
24.34
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		4 HIS A 653
GLY A 422
TYR A 423
GLU A 369
 PCD  A 921 (-3.7A)
PCD  A 921 (-3.4A)
None
None
 1.27A 4ae1B-3fahA:
undetectable		 4ae1B-3fahA:
20.00
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.
3hkv POLY [ADP-RIBOSE]
POLYMERASE 10

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A 887
GLY A 888
TYR A 919
TYR A 932
 3AB  A1025 (-3.8A)
3AB  A1025 (-3.5A)
3AB  A1025 (-4.4A)
3AB  A1025 (-3.7A)
 0.30A 4ae1B-3hkvA:
5.8		 4ae1B-3hkvA:
18.18
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 GLY B 109
TYR B 311
TYR B 112
GLU B 294
 None
 1.40A 4ae1B-3igzB:
undetectable		 4ae1B-3igzB:
21.99
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.
3ki6 CHOLIX TOXIN

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly) 		5 HIS A 460
GLY A 461
TYR A 493
TYR A 504
GLU A 581
 G9L  A   1 (-3.9A)
G9L  A   1 (-3.7A)
G9L  A   1 (-4.5A)
G9L  A   1 (-3.5A)
G9L  A   1 (-4.6A)
 0.51A 4ae1B-3ki6A:
8.2		 4ae1B-3ki6A:
17.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Trypanosoma
brucei) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		4 GLY A 108
TYR A 310
TYR A 111
GLU A 293
 None
 1.47A 4ae1B-3nvlA:
undetectable		 4ae1B-3nvlA:
23.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oa0 LIPOPOLYSACCHARIDE
BIOSYNTHESIS PROTEIN
WBPB

(Thermus
thermophilus) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 HIS A 203
GLY A 212
TYR A 213
GLU A 303
 None
 1.26A 4ae1B-3oa0A:
undetectable		 4ae1B-3oa0A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9o EXOTOXIN A

(Vibrio cholerae) 		PF09009
(Exotox-A_cataly)
PF09101
(Exotox-A_bind)
PF09102
(Exotox-A_target) 		5 HIS A 460
GLY A 461
TYR A 493
TYR A 504
GLU A 581
 NAD  A 700 (-3.8A)
NAD  A 700 (-3.7A)
NAD  A 700 ( 3.7A)
NAD  A 700 (-3.4A)
NAD  A 700 (-3.2A)
 0.52A 4ae1B-3q9oA:
7.8		 4ae1B-3q9oA:
22.42
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.
3qyg CO-TYPE NITRILE
HYDRATASE BETA
SUBUNIT

(Pseudomonas
putida) 		PF02211
(NHase_beta) 		4 HIS B  71
GLY B  66
TYR B  69
GLU B  30
 None
 1.36A 4ae1B-3qygB:
undetectable		 4ae1B-3qygB:
17.43
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 HIS A 374
GLY A 377
TYR A 370
GLU A 263
 None
 1.38A 4ae1B-3v8xA:
undetectable		 4ae1B-3v8xA:
19.98
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.
3voc BETA/ALPHA-AMYLASE

(Paenibacillus
polymyxa) 		PF01373
(Glyco_hydro_14) 		4 GLY A 181
TYR A 170
TYR A 169
GLU A 120
 None
 1.04A 4ae1B-3vocA:
undetectable		 4ae1B-3vocA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6d LYSOZYME-LIKE
CHITINOLYTIC ENZYME

(Ralstonia sp.
A-471) 		no annotation 4 HIS A 179
GLY A 178
TYR A 181
TYR A 177
 None
 1.37A 4ae1B-3w6dA:
undetectable		 4ae1B-3w6dA:
16.33
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.
3zpc RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Acinetobacter
baumannii) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		4 HIS A  81
GLY A  83
TYR A  82
GLU A  90
 PO4  A1361 (-4.1A)
PO4  A1361 (-3.4A)
None
None
 1.44A 4ae1B-3zpcA:
undetectable		 4ae1B-3zpcA:
20.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ae0 DIPHTHERIA TOXIN

(Corynebacterium
diphtheriae) 		PF01324
(Diphtheria_R)
PF02763
(Diphtheria_C)
PF02764
(Diphtheria_T) 		5 HIS A  21
GLY A  22
TYR A  54
TYR A  65
GLU A 148
 None
 0.49A 4ae1B-4ae0A:
48.6		 4ae1B-4ae0A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ctd OUTER MEMBRANE
PROTEIN G

(Escherichia
coli) 		PF09381
(Porin_OmpG) 		4 GLY A  95
TYR A  50
TYR A  94
GLU A  52
 None
 1.46A 4ae1B-4ctdA:
undetectable		 4ae1B-4ctdA:
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.
4eyg TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL

(Rhodopseudomonas
palustris) 		PF13458
(Peripla_BP_6) 		4 HIS A 276
TYR A 362
TYR A 278
GLU A 377
 None
 1.37A 4ae1B-4eygA:
undetectable		 4ae1B-4eygA:
21.23
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.
4f0d POLY [ADP-RIBOSE]
POLYMERASE 16

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A 152
GLY A 153
TYR A 182
TYR A 193
 3AB  A 301 (-4.0A)
3AB  A 301 (-3.4A)
3AB  A 301 (-4.3A)
3AB  A 301 (-3.8A)
 0.34A 4ae1B-4f0dA:
4.6		 4ae1B-4f0dA:
19.39
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.
4f0e POLY [ADP-RIBOSE]
POLYMERASE 15

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A 537
GLY A 538
TYR A 569
TYR A 582
 0RU  A 701 (-3.7A)
0RU  A 701 (-3.3A)
0RU  A 701 (-4.3A)
0RU  A 701 (-3.7A)
 0.25A 4ae1B-4f0eA:
5.6		 4ae1B-4f0eA:
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.
4gmj CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 7

(Homo sapiens) 		PF04857
(CAF1) 		4 HIS B 258
GLY B 257
TYR B 255
TYR B 193
 None
 1.48A 4ae1B-4gmjB:
undetectable		 4ae1B-4gmjB:
17.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gua NON-STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF01661
(Macro)
PF01707
(Peptidase_C9) 		4 HIS A1242
TYR A1275
TYR A1165
GLU A1309
 None
 1.42A 4ae1B-4guaA:
undetectable		 4ae1B-4guaA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 HIS A 412
GLY A 511
TYR A 510
GLU A 578
 None
None
None
BGC  A 901 (-3.2A)
 1.27A 4ae1B-4i3gA:
undetectable		 4ae1B-4i3gA:
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.
4ilq CT771

(Chlamydia
trachomatis) 		PF00293
(NUDIX) 		4 HIS A  45
GLY A  44
TYR A   8
GLU A  93
 SO4  A 201 ( 4.2A)
SO4  A 201 (-3.2A)
None
None
 1.32A 4ae1B-4ilqA:
undetectable		 4ae1B-4ilqA:
13.90
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.
4l2k TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A1031
GLY A1032
TYR A1060
TYR A1071
 1V8  A1201 (-4.2A)
1V8  A1201 (-3.7A)
1V8  A1201 (-4.7A)
1V8  A1201 (-3.3A)
 0.41A 4ae1B-4l2kA:
undetectable		 4ae1B-4l2kA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 HIS A 188
GLY A 155
TYR A 156
GLU A 196
 None
None
GLN  A 503 (-4.7A)
PO4  A 504 ( 2.8A)
 1.19A 4ae1B-4lnfA:
undetectable		 4ae1B-4lnfA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lq1 1,4-ALPHA-GLUCAN
BRANCHING ENZYME
GLGB

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 HIS A 128
GLY A 126
TYR A 122
TYR A 206
 None
 1.08A 4ae1B-4lq1A:
3.2		 4ae1B-4lq1A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mad BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF01301
(Glyco_hydro_35) 		4 HIS A 532
GLY A 534
TYR A 379
GLU A 100
 None
 1.50A 4ae1B-4madA:
4.5		 4ae1B-4madA:
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.
4mrm GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 HIS B 355
GLY B 356
TYR B 359
GLU B 341
 None
 1.44A 4ae1B-4mrmB:
undetectable		 4ae1B-4mrmB:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A1184
GLY A1185
TYR A1213
GLU A1291
 2XS  A1402 (-4.2A)
None
2XS  A1402 (-4.2A)
None
 0.81A 4ae1B-4oa7A:
4.8		 4ae1B-4oa7A:
15.81
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.
4oa7 TANKYRASE-1

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A1184
GLY A1185
TYR A1224
GLU A1291
 2XS  A1402 (-4.2A)
None
2XS  A1402 ( 3.9A)
None
 0.80A 4ae1B-4oa7A:
4.8		 4ae1B-4oa7A:
15.81
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.
4oqa POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg)
PF05406
(WGR) 		5 HIS C 862
GLY C 863
TYR C 896
TYR C 907
GLU C 988
 2US  C1101 (-3.7A)
2US  C1101 (-3.3A)
2US  C1101 (-4.2A)
2US  C1101 (-3.5A)
2US  C1101 (-3.2A)
 0.50A 4ae1B-4oqaC:
4.8		 4ae1B-4oqaC:
23.76
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.
4py4 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A1682
GLY A1683
TYR A1714
TYR A1727
 XL2  A1901 (-4.0A)
XL2  A1901 (-3.6A)
XL2  A1901 (-3.7A)
XL2  A1901 (-3.6A)
 0.26A 4ae1B-4py4A:
6.2		 4ae1B-4py4A:
13.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rph UDP-GALACTOPYRANOSE
MUTASE

(Mycobacterium
tuberculosis) 		no annotation 4 GLY B  63
TYR B  48
TYR B  62
GLU B  50
 FAD  B 401 (-3.5A)
None
None
None
 1.33A 4ae1B-4rphB:
undetectable		 4ae1B-4rphB:
19.64
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.
4rwt LEIOMODIN-2

(Homo sapiens) 		no annotation 4 HIS C 272
GLY C 300
TYR C 301
GLU C 304
 None
 1.48A 4ae1B-4rwtC:
undetectable		 4ae1B-4rwtC:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rzz PEPTIDASE M24

(Ruegeria
lacuscaerulensis) 		PF00557
(Peptidase_M24) 		4 HIS A 170
GLY A  73
TYR A  72
GLU A 192
 None
 1.12A 4ae1B-4rzzA:
undetectable		 4ae1B-4rzzA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgk UDP-GALACTOPYRANOSE
MUTASE

(Corynebacterium
diphtheriae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		4 HIS A  56
GLY A  59
TYR A  44
TYR A  58
 None
FDA  A 403 ( 3.9A)
None
None
 1.19A 4ae1B-4xgkA:
undetectable		 4ae1B-4xgkA:
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.
4zro 3C-LIKE PROTEINASE

(Alphacoronavirus
1) 		PF05409
(Peptidase_C30) 		4 HIS A 163
GLY A 173
TYR A 181
GLU A 179
 None
 1.42A 4ae1B-4zroA:
undetectable		 4ae1B-4zroA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zzy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		5 HIS A 428
GLY A 429
TYR A 462
TYR A 473
GLU A 558
 D7N  A1584 (-3.6A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.7A)
D7N  A1584 (-3.8A)
D7N  A1584 (-3.9A)
 0.55A 4ae1B-4zzyA:
5.9		 4ae1B-4zzyA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ab4 SCP2-THIOLASE LIKE
PROTEIN

(Trypanosoma
brucei) 		no annotation 4 HIS A 347
GLY A 349
TYR A 363
GLU A 181
 None
 1.41A 4ae1B-5ab4A:
undetectable		 4ae1B-5ab4A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c6d UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF12436
(USP7_ICP0_bdg) 		4 HIS A 578
GLY A 580
TYR A 584
GLU A 586
 HIS  A 578 ( 1.0A)
GLY  A 580 ( 0.0A)
TYR  A 584 ( 1.3A)
GLU  A 586 ( 0.5A)
 1.37A 4ae1B-5c6dA:
undetectable		 4ae1B-5c6dA:
20.41
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.
5cjp RAS
GTPASE-ACTIVATING-LI
KE PROTEIN IQGAP2

(Homo sapiens) 		PF00616
(RasGAP) 		4 GLY E1072
TYR E 933
TYR E1075
GLU E1189
 None
 1.19A 4ae1B-5cjpE:
undetectable		 4ae1B-5cjpE:
23.32
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.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A1031
GLY A1032
TYR A1060
TYR A1071
 59B  A1203 (-4.1A)
59B  A1203 (-4.1A)
59B  A1203 (-4.3A)
59B  A1203 (-3.3A)
 0.31A 4ae1B-5dczA:
5.0		 4ae1B-5dczA:
18.56
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.
5dcz TANKYRASE-2

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A1031
GLY A1032
TYR A1071
GLU A1138
 59B  A1203 (-4.1A)
59B  A1203 (-4.1A)
59B  A1203 (-3.3A)
59B  A1203 (-3.7A)
 0.76A 4ae1B-5dczA:
5.0		 4ae1B-5dczA:
18.56
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.
5dsy POLY [ADP-RIBOSE]
POLYMERASE 2

(Homo sapiens) 		PF00644
(PARP) 		5 HIS A 415
GLY A 416
TYR A 449
TYR A 460
GLU A 545
 UHB  A1001 (-3.7A)
UHB  A1001 (-3.9A)
UHB  A1001 (-3.8A)
UHB  A1001 (-3.4A)
UHB  A1001 (-3.5A)
 0.75A 4ae1B-5dsyA:
5.7		 4ae1B-5dsyA:
18.98
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.
5e53 CONTACTIN-1

(Gallus gallus) 		PF00041
(fn3) 		4 GLY A 728
TYR A 725
TYR A 727
GLU A 724
 None
 1.06A 4ae1B-5e53A:
undetectable		 4ae1B-5e53A:
20.08
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.
5gru DIABODY PROTEIN

(Homo sapiens) 		PF07686
(V-set) 		4 GLY H  99
TYR H 102
TYR H 100
GLU H 113
 GLY  H  99 ( 0.0A)
TYR  H 102 ( 1.3A)
TYR  H 100 ( 1.3A)
GLU  H 113 ( 0.6A)
 1.20A 4ae1B-5gruH:
3.9		 4ae1B-5gruH:
19.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gvb WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1

(Homo sapiens) 		PF12341
(Mcl1_mid) 		4 HIS A 579
GLY A 636
TYR A 741
GLU A 581
 None
 1.35A 4ae1B-5gvbA:
undetectable		 4ae1B-5gvbA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005

(uncultured
bacterium) 		PF02522
(Antibiotic_NAT) 		4 HIS A 169
GLY A 139
TYR A 138
GLU A 171
 None
 1.45A 4ae1B-5ht0A:
undetectable		 4ae1B-5ht0A:
20.00
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.
5hws 2-DEHYDROPANTOATE
2-REDUCTASE

(Thermococcus
kodakarensis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 GLY A 101
TYR A  76
TYR A 265
GLU A 260
 None
 1.29A 4ae1B-5hwsA:
undetectable		 4ae1B-5hwsA:
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.
5i92 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Pseudomonas
aeruginosa) 		PF00202
(Aminotran_3) 		4 HIS A  66
GLY A  57
TYR A  43
GLU A 411
 None
 1.39A 4ae1B-5i92A:
undetectable		 4ae1B-5i92A:
23.49
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.
5ihw SERINE-ASPARTATE
REPEAT-CONTAINING
PROTEIN E

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		4 HIS A 304
GLY A 306
TYR A 390
GLU A 310
 None
 1.45A 4ae1B-5ihwA:
4.8		 4ae1B-5ihwA:
22.34
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.
5jhq TANKYRASE-1

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13606
(Ank_3) 		4 HIS A 414
GLY A 413
TYR A 379
TYR A 412
 None
 1.10A 4ae1B-5jhqA:
undetectable		 4ae1B-5jhqA:
22.53
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.
5l0l UNCHARACTERIZED
PROTEIN

(Legionella
pneumophila) 		no annotation 4 HIS A 129
TYR A 128
TYR A 130
GLU A 168
 None
 1.49A 4ae1B-5l0lA:
undetectable		 4ae1B-5l0lA:
16.27
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.
5l2l NAB2P

(Saccharomyces
cerevisiae) 		PF14608
(zf-CCCH_2) 		4 HIS A 430
GLY A 418
TYR A 428
GLU A 413
 ZN  A 501 (-3.3A)
None
A  G   3 ( 3.9A)
ZN  A 504 (-2.6A)
 0.61A 4ae1B-5l2lA:
undetectable		 4ae1B-5l2lA:
8.72
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.
5ldf GLUTAMINE SYNTHETASE

(Salmonella
enterica) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 HIS A 211
GLY A 178
TYR A 179
GLU A 220
 None
 1.49A 4ae1B-5ldfA:
undetectable		 4ae1B-5ldfA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lx6 POLY [ADP-RIBOSE]
POLYMERASE 10

(Homo sapiens) 		PF00644
(PARP) 		4 HIS A 887
GLY A 888
TYR A 919
TYR A 932
 78P  A1101 (-4.0A)
78P  A1101 (-3.7A)
78P  A1101 (-3.7A)
78P  A1101 (-3.8A)
 0.35A 4ae1B-5lx6A:
4.5		 4ae1B-5lx6A:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 4 HIS A 431
GLY A 353
TYR A 428
GLU A 434
 None
 1.40A 4ae1B-5m41A:
undetectable		 4ae1B-5m41A:
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.
5mqc VP2

(Black queen
cell virus) 		PF00073
(Rhv) 		4 HIS B 215
GLY B 214
TYR B 213
GLU B 168
 None
 1.29A 4ae1B-5mqcB:
2.6		 4ae1B-5mqcB:
18.27
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.
5mz9 -

(-) 		no annotation 4 HIS A 374
GLY A 361
TYR A 362
GLU A 364
 None
 1.13A 4ae1B-5mz9A:
undetectable		 4ae1B-5mz9A:
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.
5ogs WD REPEAT AND
HMG-BOX DNA-BINDING
PROTEIN 1

(Homo sapiens) 		no annotation 4 HIS A 579
GLY A 636
TYR A 741
GLU A 581
 None
 1.32A 4ae1B-5ogsA:
undetectable		 4ae1B-5ogsA:
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.
5ovo ADP-RIBOSYL-(DINITRO
GEN REDUCTASE)
HYDROLASE

(Azospirillum
brasilense) 		no annotation 4 GLY A 125
TYR A 122
TYR A 212
GLU A 121
 ADP  A 301 ( 3.3A)
None
ADP  A 301 (-3.4A)
None
 1.04A 4ae1B-5ovoA:
undetectable		 4ae1B-5ovoA:
20.60
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.
5w7p OXAC

(Penicillium
oxalicum) 		no annotation 4 HIS A 342
GLY A 398
TYR A 223
GLU A 401
 None
 1.11A 4ae1B-5w7pA:
undetectable		 4ae1B-5w7pA:
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.
5xst POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 5 HIS A 201
GLY A 202
TYR A 235
TYR A 246
GLU A 327
 8E6  A 401 (-3.5A)
8E6  A 401 (-3.9A)
8E6  A 401 (-4.1A)
8E6  A 401 (-3.4A)
8E6  A 401 (-3.9A)
 0.58A 4ae1B-5xstA:
6.1		 4ae1B-5xstA:
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.
6bhv POLY [ADP-RIBOSE]
POLYMERASE 1

(Homo sapiens) 		no annotation 5 HIS A 862
GLY A 863
TYR A 896
TYR A 907
GLU A 988
 DQV  A1101 (-3.6A)
DQV  A1101 (-3.8A)
DQV  A1101 (-3.5A)
DQV  A1101 (-3.7A)
DQV  A1101 (-3.3A)
 0.51A 4ae1B-6bhvA:
6.1		 4ae1B-6bhvA:
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 HIS A 300
GLY A 302
TYR A 323
GLU A  48
 None
 1.38A 4ae1B-6eonA:
undetectable		 4ae1B-6eonA:
21.31