SIMILAR PATTERNS OF AMINO ACIDS FOR 1B2I_A_AMHA84

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.
1bt2 PROTEIN (CATECHOL
OXIDASE)

(Ipomoea batatas) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 TYR A  38
TRP A 120
PHE A 124
ARG A 127
 None
 1.45A 1b2iA-1bt2A:
undetectable		 1b2iA-1bt2A:
11.30
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.
1gul GLUTATHIONE
TRANSFERASE A4-4

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 TYR A 132
ASP A 101
GLU A  97
PHE A 136
 None
 1.45A 1b2iA-1gulA:
0.0		 1b2iA-1gulA:
14.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i71 APOLIPOPROTEIN(A)

(Homo sapiens) 		PF00051
(Kringle) 		4 GLU A  56
TRP A  60
ARG A  69
TRP A  70
 None
None
SO4  A 300 (-3.8A)
None
 0.94A 1b2iA-1i71A:
12.4		 1b2iA-1i71A:
46.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1kiv APOLIPOPROTEIN A

(Homo sapiens) 		PF00051
(Kringle) 		5 ASP A  55
TRP A  62
PHE A  64
ARG A  71
TRP A  72
 None
 0.99A 1b2iA-1kivA:
12.4		 1b2iA-1kivA:
51.28
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.
1nvj MOLYBDOPTERIN
CONVERTING FACTOR
SUBUNIT 2

(Escherichia
coli) 		PF02391
(MoaE) 		4 TYR A 117
GLU A  65
PHE A 113
ARG A  73
 None
 1.48A 1b2iA-1nvjA:
undetectable		 1b2iA-1nvjA:
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.
1qf6 THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		4 ASP A 383
GLU A 357
PHE A 379
ARG A 363
 ZN  A1001 ( 4.9A)
None
AMP  A1002 (-3.7A)
AMP  A1002 (-2.7A)
 1.17A 1b2iA-1qf6A:
undetectable		 1b2iA-1qf6A:
8.25
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.
1qr0 4'-PHOSPHOPANTETHEIN
YL TRANSFERASE SFP

(Bacillus
subtilis) 		PF01648
(ACPS) 		4 ASP A 107
GLU A 109
TRP A 147
PHE A 122
 MG  A 400 ( 2.8A)
MG  A 400 (-3.3A)
None
None
 1.18A 1b2iA-1qr0A:
0.0		 1b2iA-1qr0A:
15.74
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.
1tcp TICK ANTICOAGULANT
PEPTIDE

(Ornithodoros
moubata) 		no annotation 4 TYR A  48
ASP A  42
TRP A  11
PHE A  26
 None
 1.42A 1b2iA-1tcpA:
0.0		 1b2iA-1tcpA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 GLU A 368
TRP A 325
PHE A 337
ARG A 336
 None
 1.33A 1b2iA-1uokA:
0.0		 1b2iA-1uokA:
10.64
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.
1wwm HYPOTHETICAL PROTEIN
TT2028

(Thermus
thermophilus) 		no annotation 4 TYR A 110
ASP A 167
GLU A 169
PHE A 114
 None
 1.47A 1b2iA-1wwmA:
undetectable		 1b2iA-1wwmA:
16.49
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.
2b5d ALPHA-AMYLASE

(Thermotoga
maritima) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		4 TYR X 131
ASP X  46
GLU X  47
PHE X  51
 None
 1.40A 1b2iA-2b5dX:
undetectable		 1b2iA-2b5dX:
8.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2doi ANGIOSTATIN

(Homo sapiens) 		no annotation 4 TRP X 225
PHE X 227
ARG X 234
TRP X 235
 None
 1.30A 1b2iA-2doiX:
13.0		 1b2iA-2doiX:
61.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2doi ANGIOSTATIN

(Homo sapiens) 		no annotation 6 TYR X 200
ASP X 219
GLU X 221
TRP X 225
PHE X 227
TRP X 235
 None
 0.94A 1b2iA-2doiX:
13.0		 1b2iA-2doiX:
61.19
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.
2fko 173AA LONG
HYPOTHETICAL
FERRIPYOCHELIN
BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00132
(Hexapep) 		4 ASP A  60
TRP A  38
PHE A  18
ARG A 170
 None
 1.49A 1b2iA-2fkoA:
undetectable		 1b2iA-2fkoA:
18.60
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.
2fm8 CELL INVASION
PROTEIN SIPA

(Salmonella
enterica) 		PF09052
(SipA) 		4 TYR C 186
GLU C 144
PHE C 258
ARG C 255
 None
 1.37A 1b2iA-2fm8C:
undetectable		 1b2iA-2fm8C:
19.31
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.
2nn5 HYPOTHETICAL PROTEIN
EF_2215

(Enterococcus
faecalis) 		PF08327
(AHSA1) 		4 ASP A 117
GLU A 104
TRP A  81
PHE A  57
 None
 1.36A 1b2iA-2nn5A:
undetectable		 1b2iA-2nn5A:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pk4 HUMAN PLASMINOGEN
KRINGLE 4

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP A  55
TRP A  62
ARG A  71
TRP A  72
 ACA  A 100 ( 2.6A)
ACA  A 100 ( 3.6A)
ACA  A 100 ( 3.6A)
ACA  A 100 ( 3.1A)
 0.98A 1b2iA-2pk4A:
12.6		 1b2iA-2pk4A:
48.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pk4 HUMAN PLASMINOGEN
KRINGLE 4

(Homo sapiens) 		PF00051
(Kringle) 		4 ASP A  57
TRP A  62
PHE A  64
TRP A  72
 ACA  A 100 ( 3.7A)
ACA  A 100 ( 3.6A)
ACA  A 100 ( 4.1A)
ACA  A 100 ( 3.1A)
 1.20A 1b2iA-2pk4A:
12.6		 1b2iA-2pk4A:
48.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2pk4 HUMAN PLASMINOGEN
KRINGLE 4

(Homo sapiens) 		PF00051
(Kringle) 		4 TRP A  62
PHE A  64
ARG A  71
TRP A  72
 ACA  A 100 ( 3.6A)
ACA  A 100 ( 4.1A)
ACA  A 100 ( 3.6A)
ACA  A 100 ( 3.1A)
 1.08A 1b2iA-2pk4A:
12.6		 1b2iA-2pk4A:
48.78
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.
2q48 PROTEIN AT5G48480

(Arabidopsis
thaliana) 		no annotation 4 TYR A  44
ASP A 144
TRP A 150
PHE A  82
 None
 1.26A 1b2iA-2q48A:
undetectable		 1b2iA-2q48A:
15.06
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.
2rfo NUCLEOPORIN NIC96

(Saccharomyces
cerevisiae) 		PF04097
(Nic96) 		4 TYR A 339
ASP A 434
GLU A 433
PHE A 308
 None
 1.12A 1b2iA-2rfoA:
undetectable		 1b2iA-2rfoA:
7.97
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.
2zf9 SCAE CELL-SURFACE
ANCHORED SCAFFOLDIN
PROTEIN

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin) 		4 TYR A  56
ASP A 115
GLU A  50
PHE A 151
 None
 1.16A 1b2iA-2zf9A:
undetectable		 1b2iA-2zf9A:
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.
3afl OLIGO ALGINATE LYASE

(Agrobacterium
fabrum) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		4 TYR A 555
GLU A 254
PHE A 462
TRP A 467
 MAW  A1003 (-4.9A)
LGU  A1002 (-4.5A)
MAW  A1003 (-4.4A)
MAW  A1003 (-3.8A)
 1.10A 1b2iA-3aflA:
undetectable		 1b2iA-3aflA:
7.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eb7 INSECTICIDAL
DELTA-ENDOTOXIN
CRY8EA1

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 TYR A 293
ASP A 289
PHE A 609
ARG A 567
 None
 1.48A 1b2iA-3eb7A:
undetectable		 1b2iA-3eb7A:
8.63
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.
3edy TRIPEPTIDYL-PEPTIDAS
E 1

(Homo sapiens) 		PF09286
(Pro-kuma_activ) 		4 TYR A 441
ASP A 528
GLU A 529
ARG A 371
 None
None
None
EDO  A 703 ( 4.6A)
 1.43A 1b2iA-3edyA:
undetectable		 1b2iA-3edyA:
8.90
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.
3fjo NADPH-CYTOCHROME
P450 REDUCTASE

(Homo sapiens;
Saccharomyces
cerevisiae) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		4 TYR A  75
ASP A 193
GLU A 194
PHE A 150
 None
 1.48A 1b2iA-3fjoA:
undetectable		 1b2iA-3fjoA:
7.31
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.
3fvv UNCHARACTERIZED
PROTEIN

(Bordetella
pertussis) 		PF12710
(HAD) 		4 ASP A  45
GLU A  49
PHE A  64
ARG A  43
 None
 1.33A 1b2iA-3fvvA:
undetectable		 1b2iA-3fvvA:
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		4 TYR A  27
ASP A 172
GLU A 176
PHE A  31
 None
 1.31A 1b2iA-3hnrA:
undetectable		 1b2iA-3hnrA:
15.71
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.
3k94 THIAMIN
PYROPHOSPHOKINASE

(Geobacillus
thermodenitrificans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 ASP A  21
TRP A  27
PHE A  99
ARG A  97
 None
None
None
CSO  A  95 ( 3.7A)
 1.23A 1b2iA-3k94A:
undetectable		 1b2iA-3k94A:
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.
3l6y CATENIN DELTA-1

(Homo sapiens) 		PF00514
(Arm) 		4 TYR A 650
GLU A 593
PHE A 654
ARG A 599
 None
 1.26A 1b2iA-3l6yA:
undetectable		 1b2iA-3l6yA:
8.98
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.
3nnm CURA

(Lyngbya
majuscula) 		PF05721
(PhyH) 		4 TYR A 209
ASP A 202
GLU A 198
TRP A 114
 None
 1.41A 1b2iA-3nnmA:
undetectable		 1b2iA-3nnmA:
14.33
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.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		4 TYR A 334
GLU A 332
PHE A 353
ARG A 350
 None
 1.35A 1b2iA-3nv9A:
undetectable		 1b2iA-3nv9A:
11.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ob8 BETA-GALACTOSIDASE

(Kluyveromyces
lactis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N) 		4 TYR A 136
GLU A 130
PHE A 157
ARG A  19
 None
 1.26A 1b2iA-3ob8A:
undetectable		 1b2iA-3ob8A:
5.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rpw ABC TRANSPORTER

(Rhodopseudomonas
palustris) 		PF13416
(SBP_bac_8) 		4 TYR A 261
GLU A 180
TRP A 332
PHE A  90
 GOL  A 363 (-4.5A)
None
None
GOL  A 363 (-4.3A)
 1.44A 1b2iA-3rpwA:
undetectable		 1b2iA-3rpwA:
13.27
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.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 TYR A 403
ASP A 404
GLU A 406
TRP A 409
 None
 1.47A 1b2iA-3ttsA:
undetectable		 1b2iA-3ttsA:
9.64
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.
3tw0 CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
agalactiae) 		PF00092
(VWA) 		4 TYR A 490
ASP A 438
GLU A 440
TRP A 487
 None
 1.18A 1b2iA-3tw0A:
undetectable		 1b2iA-3tw0A:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdn MONOAMINE OXIDASE N

(Aspergillus
niger) 		PF01593
(Amino_oxidase) 		4 TYR A 273
GLU A 263
TRP A 262
PHE A 275
 None
 1.44A 1b2iA-3zdnA:
undetectable		 1b2iA-3zdnA:
10.13
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.
4b61 ALGINATE PRODUCTION
PROTEIN ALGE

(Pseudomonas
aeruginosa) 		PF13372
(Alginate_exp) 		4 ASP A 431
GLU A 368
PHE A 356
ARG A 365
 None
 1.39A 1b2iA-4b61A:
undetectable		 1b2iA-4b61A:
9.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4bvw APOLIPOPROTEIN(A)

(Homo sapiens) 		PF00051
(Kringle) 		5 ASP A  54
GLU A  56
TRP A  60
ARG A  69
TRP A  70
 HKY  A1080 (-3.0A)
HKY  A1080 (-3.8A)
HKY  A1080 (-3.6A)
HKY  A1080 (-3.5A)
HKY  A1080 (-3.5A)
 0.78A 1b2iA-4bvwA:
12.5		 1b2iA-4bvwA:
41.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c23 L-FUCULOSE KINASE
FUCK

(Streptococcus
pneumoniae) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 TYR A 351
ASP A 332
GLU A 334
PHE A 338
 None
 1.41A 1b2iA-4c23A:
undetectable		 1b2iA-4c23A:
11.85
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.
4cg4 PYRIN

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		4 ASP A 603
GLU A 605
PHE A 636
ARG A 676
 None
 1.27A 1b2iA-4cg4A:
undetectable		 1b2iA-4cg4A:
12.08
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.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 TYR A 455
GLU A 542
TRP A 505
PHE A 458
 None
 1.07A 1b2iA-4d5gA:
undetectable		 1b2iA-4d5gA:
8.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		4 TRP A 417
PHE A 419
ARG A 426
TRP A 427
 None
 1.11A 1b2iA-4duuA:
10.9		 1b2iA-4duuA:
61.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		6 TYR A 200
ASP A 219
GLU A 221
TRP A 225
PHE A 227
TRP A 235
 None
 0.69A 1b2iA-4duuA:
10.9		 1b2iA-4duuA:
61.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		6 TYR A 200
GLU A 221
TRP A 225
PHE A 227
ARG A 234
TRP A 235
 None
 0.79A 1b2iA-4duuA:
10.9		 1b2iA-4duuA:
61.19
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.
4gis ENOLASE

(Vibrio harveyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 196
ASP A 140
GLU A 144
PHE A 200
 None
 1.36A 1b2iA-4gisA:
undetectable		 1b2iA-4gisA:
10.80
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.
4iwt LYTIC AMIDASE

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TYR A 230
ASP A 232
GLU A 236
PHE A 251
 None
 1.12A 1b2iA-4iwtA:
undetectable		 1b2iA-4iwtA:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kjv E3 UBIQUITIN-PROTEIN
LIGASE XIAP

(Homo sapiens) 		PF00653
(BIR) 		4 GLU A 183
TRP A 217
PHE A 229
ARG A 166
 None
 1.39A 1b2iA-4kjvA:
undetectable		 1b2iA-4kjvA:
22.58
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.
4np4 TOXIN B

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		4 TYR A1977
GLU A1947
TRP A1948
PHE A1979
 None
 1.45A 1b2iA-4np4A:
undetectable		 1b2iA-4np4A:
10.91
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.
4r2g SURFACE PROTEIN
GP160

(Human
immunodeficiency
virus 1) 		no annotation 4 TYR E 435
TRP E 112
PHE E 382
TRP E 427
 None
 1.46A 1b2iA-4r2gE:
undetectable		 1b2iA-4r2gE:
14.23
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.
4v36 LYSYL-TRNA-DEPENDENT
L-YSYL-PHOSPHATIDYLG
YCEROL SYNTHASE

(Bacillus
licheniformis) 		PF09924
(DUF2156) 		4 TYR A 620
ASP A 581
GLU A 613
PHE A 627
 None
 0.95A 1b2iA-4v36A:
undetectable		 1b2iA-4v36A:
12.05
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		4 TYR C 465
GLU C 473
TRP C 110
PHE C 296
 None
 1.18A 1b2iA-5aa5C:
undetectable		 1b2iA-5aa5C:
9.27
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.
5an3 SGT1

(Saccharomyces
cerevisiae) 		no annotation 4 TYR A  94
ASP A  72
GLU A  69
PHE A  98
 None
 1.22A 1b2iA-5an3A:
undetectable		 1b2iA-5an3A:
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.
5d8w ENDOGLUCANASE

(Ganoderma
lucidum) 		PF00150
(Cellulase) 		4 ASP A 215
TRP A 264
PHE A 232
ARG A 270
 None
 1.42A 1b2iA-5d8wA:
undetectable		 1b2iA-5d8wA:
10.69
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.
5jpn COMPLEMENT C4-A

(Homo sapiens) 		PF01759
(NTR)
PF07677
(A2M_recep) 		4 TYR C1701
ASP C1689
GLU C1624
PHE C1627
 None
 1.29A 1b2iA-5jpnC:
undetectable		 1b2iA-5jpnC:
19.16
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 TYR A 686
GLU A 394
TRP A 682
TRP A 453
 GOL  A 704 (-4.7A)
None
None
None
 1.27A 1b2iA-5no8A:
undetectable		 1b2iA-5no8A:
8.05
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 4 TYR A 698
GLU A 732
PHE A 708
ARG A 696
 None
 1.42A 1b2iA-5ot1A:
undetectable		 1b2iA-5ot1A:
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.
5u8q FV 24-60 HEAVY CHAIN
INSULIN-LIKE GROWTH
FACTOR 1 RECEPTOR

(Homo sapiens;
Mus musculus) 		no annotation 4 TYR H  54
GLU A  53
PHE A 241
ARG A 245
 None
None
None
MLT  A1003 ( 4.8A)
 1.47A 1b2iA-5u8qH:
undetectable		 1b2iA-5u8qH:
25.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uti QUEUINE
TRNA-RIBOSYLTRANSFER
ASE

(Zymomonas
mobilis) 		no annotation 4 ASP A 315
GLU A 317
TRP A 296
PHE A 377
 None
PG4  A 405 (-3.8A)
PG4  A 405 (-3.8A)
None
 1.49A 1b2iA-5utiA:
undetectable		 1b2iA-5utiA:
17.98
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 4 TYR A 162
TRP A 130
PHE A 113
ARG A 117
 None
 1.47A 1b2iA-5x7uA:
undetectable		 1b2iA-5x7uA:
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.
5yfb DIPEPTIDYL PEPTIDASE
3

(Armillaria
tabescens) 		no annotation 4 TYR A 154
ASP A 125
GLU A 127
PHE A 146
 None
 1.47A 1b2iA-5yfbA:
undetectable		 1b2iA-5yfbA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dnf MITOCHONDRIAL
CALCIUM UNIPORTER
MCU

(Cyphellophora
europaea) 		no annotation 4 TYR A 271
ASP A 188
GLU A 185
PHE A 276
 None
 1.23A 1b2iA-6dnfA:
undetectable		 1b2iA-6dnfA:
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.
6fob VITAMIN D3 RECEPTOR
A

(Danio rerio) 		no annotation 4 TYR A 264
ASP A 176
PHE A 185
ARG A 184
 None
 1.22A 1b2iA-6fobA:
undetectable		 1b2iA-6fobA:
17.28
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.
6ftx -

(-) 		no annotation 4 TYR W 211
ASP W 253
GLU W 252
PHE W 213
 None
 1.43A 1b2iA-6ftxW:
undetectable		 1b2iA-6ftxW:
undetectable