SIMILAR PATTERNS OF AMINO ACIDS FOR 6IBL_A_H98A501_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.
1bey CAMPATH-1H ANTIBODY

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR H  89
VAL H 119
VAL H 117
VAL H  70
TYR H  96
 None
 1.27A 6iblA-1beyH:
undetectable		 6iblA-1beyH:
18.38
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.
1bvl HULYS11

(Homo sapiens;
Mus musculus) 		PF07686
(V-set) 		5 THR A  86
VAL A 114
VAL A 112
VAL A  67
TYR A  93
 None
 1.47A 6iblA-1bvlA:
undetectable		 6iblA-1bvlA:
15.26
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 THR E 257
VAL E 259
VAL E 197
PHE E 305
VAL E 304
 None
 1.29A 6iblA-1cziE:
undetectable		 6iblA-1cziE:
21.91
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.
1fwx NITROUS OXIDE
REDUCTASE

(Paracoccus
denitrificans) 		PF13473
(Cupredoxin_1) 		5 VAL A 283
VAL A 291
ASP A 193
TRP A 347
PHE A 328
 None
 1.28A 6iblA-1fwxA:
undetectable		 6iblA-1fwxA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m5q SMALL NUCLEAR
RIBONUCLEOPROTEIN
HOMOLOG

(Pyrobaculum
aerophilum) 		no annotation 5 VAL A 119
VAL A 112
ASP A  81
PHE A  85
PHE A  93
 None
 1.42A 6iblA-1m5qA:
undetectable		 6iblA-1m5qA:
15.42
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.
1smk MALATE
DEHYDROGENASE,
GLYOXYSOMAL

(Citrullus
lanatus) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 THR A 199
VAL A 204
ASP A 193
PHE A 238
TYR A 245
 None
 1.48A 6iblA-1smkA:
undetectable		 6iblA-1smkA:
25.34
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.
1vbj PROSTAGLANDIN F
SYNTHASE

(Trypanosoma
brucei) 		PF00248
(Aldo_ket_red) 		5 THR A  75
VAL A 104
VAL A 133
PHE A 124
VAL A 138
 None
 1.36A 6iblA-1vbjA:
undetectable		 6iblA-1vbjA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 VAL A 391
VAL A 388
ASP A 395
ASN A 365
TYR A 382
 None
 1.25A 6iblA-1xhbA:
undetectable		 6iblA-1xhbA:
22.94
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 VAL A 391
VAL A 388
ASP A 395
ASN A 365
VAL A 372
 None
 1.41A 6iblA-1xhbA:
undetectable		 6iblA-1xhbA:
22.94
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.
2fp3 CASPASE NC

(Drosophila
melanogaster) 		PF00656
(Peptidase_C14) 		5 VAL A 265
VAL A 267
ASP A 405
PHE A 443
PHE A 393
 None
 1.46A 6iblA-2fp3A:
undetectable		 6iblA-2fp3A:
20.45
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.
2hz2 CYANOGLOBIN

(Synechocystis
sp. PCC 6803) 		PF01152
(Bac_globin) 		5 THR A  94
VAL A 108
ASP A  19
PHE A  21
VAL A  14
 None
 1.44A 6iblA-2hz2A:
undetectable		 6iblA-2hz2A:
15.29
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.
2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Mycobacterium
tuberculosis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 VAL A   8
VAL A 164
ASP A 239
PHE A 115
VAL A 314
 None
 1.29A 6iblA-2qnyA:
undetectable		 6iblA-2qnyA:
21.78
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.
2rag DIPEPTIDASE

(Caulobacter
vibrioides) 		PF01244
(Peptidase_M19) 		5 VAL A 401
VAL A 405
ASP A 360
PHE A 155
VAL A  96
 None
None
CL  A 420 ( 4.1A)
None
None
 1.42A 6iblA-2ragA:
undetectable		 6iblA-2ragA:
22.08
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.
2y3a PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd)
PF02192
(PI3K_p85B) 		5 THR A 475
VAL A 473
PHE A 442
PHE A 645
VAL A 139
 None
 1.44A 6iblA-2y3aA:
undetectable		 6iblA-2y3aA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbv UNCHARACTERIZED
CONSERVED PROTEIN

(Thermotoga
maritima) 		PF01887
(SAM_adeno_trans) 		5 THR A   6
VAL A  65
VAL A  89
ASN A  93
VAL A  71
 None
None
None
None
ADN  A 501 ( 4.5A)
 1.46A 6iblA-2zbvA:
undetectable		 6iblA-2zbvA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zkj [PYRUVATE
DEHYDROGENASE
[LIPOAMIDE]] KINASE
ISOZYME 4

(Homo sapiens) 		PF02518
(HATPase_c)
PF10436
(BCDHK_Adom3) 		5 THR A  82
VAL A  85
VAL A  88
ASP A 143
PHE A 162
 None
 1.21A 6iblA-2zkjA:
2.1		 6iblA-2zkjA:
21.93
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.
3b9t TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Methylobacillus
flagellatus) 		PF03069
(FmdA_AmdA) 		5 ASP A 341
PHE A 290
PHE A 337
PHE A 366
TYR A 328
 MG  A 484 (-2.0A)
None
None
None
None
 1.49A 6iblA-3b9tA:
undetectable		 6iblA-3b9tA:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d3l ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Homo sapiens) 		PF00305
(Lipoxygenase) 		5 VAL A 367
ASP A 512
PHE A 515
PHE A 528
VAL A 517
 None
 1.28A 6iblA-3d3lA:
undetectable		 6iblA-3d3lA:
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.
3f9r PHOSPHOMANNOMUTASE

(Trypanosoma
brucei) 		PF03332
(PMM) 		5 THR A 235
VAL A 239
ASP A  10
PHE A   9
PHE A  38
 None
 1.32A 6iblA-3f9rA:
undetectable		 6iblA-3f9rA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ibz PUTATIVE TELLURIUM
RESISTANT LIKE
PROTEIN TERD

(Streptomyces
coelicolor) 		PF02342
(TerD) 		5 VAL A 191
VAL A 189
ASP A 113
PHE A  62
ASN A  64
 None
 1.47A 6iblA-3ibzA:
undetectable		 6iblA-3ibzA:
16.75
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 TRP A 453
THR A 537
VAL A 541
VAL A 544
ASP A 472
 None
None
None
None
TRS  A6001 (-3.2A)
 1.19A 6iblA-3lppA:
undetectable		 6iblA-3lppA:
17.79
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.
3pbl D(3) DOPAMINE
RECEPTOR, LYSOZYME
CHIMERA

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A 111
TRP A 342
PHE A 345
PHE A 346
TYR A 373
 ETQ  A1200 (-3.4A)
None
ETQ  A1200 (-4.4A)
ETQ  A1200 ( 4.5A)
ETQ  A1200 (-4.4A)
 0.51A 6iblA-3pblA:
28.8		 6iblA-3pblA:
27.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		10 TRP A 109
THR A 110
VAL A 114
VAL A 117
ASP A 192
PHE A 193
TRP A 286
PHE A 289
PHE A 290
TYR A 316
 None
ERC  A1201 ( 4.6A)
ERC  A1201 (-3.8A)
None
ERC  A1201 (-4.2A)
ERC  A1201 (-4.4A)
None
ERC  A1201 (-4.5A)
ERC  A1201 (-4.8A)
None
 0.84A 6iblA-3pdsA:
32.2		 6iblA-3pdsA:
37.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pds FUSION PROTEIN
BETA-2 ADRENERGIC
RECEPTOR/LYSOZYME

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		10 TRP A 109
THR A 110
VAL A 114
VAL A 117
ASP A 192
TRP A 286
PHE A 289
PHE A 290
ASN A 293
TYR A 316
 None
ERC  A1201 ( 4.6A)
ERC  A1201 (-3.8A)
None
ERC  A1201 (-4.2A)
None
ERC  A1201 (-4.5A)
ERC  A1201 (-4.8A)
ERC  A1201 (-3.5A)
None
 0.77A 6iblA-3pdsA:
32.2		 6iblA-3pdsA:
37.23
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.
3py6 BETA-LACTAMASE-LIKE

(Brucella
abortus) 		PF12706
(Lactamase_B_2) 		5 THR A  63
VAL A  60
VAL A  59
ASP A  96
VAL A 102
 None
 1.48A 6iblA-3py6A:
undetectable		 6iblA-3py6A:
19.57
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.
3rkr SHORT CHAIN
OXIDOREDUCTASE

(uncultured
bacterium Bio5) 		PF00106
(adh_short) 		5 THR A  36
VAL A  10
VAL A  88
ASP A  63
VAL A 114
 None
None
None
NAP  A 240 (-3.8A)
None
 1.27A 6iblA-3rkrA:
undetectable		 6iblA-3rkrA:
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.
3woz CLIP-ASSOCIATING
PROTEIN 2

(Mus musculus) 		no annotation 5 THR A 810
VAL A 814
VAL A 817
ASP A 803
PHE A 804
 None
 0.79A 6iblA-3wozA:
undetectable		 6iblA-3wozA:
21.96
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.
4aoy ISOCITRATE
DEHYDROGENASE [NADP]

(Ruminiclostridium
thermocellum) 		PF00180
(Iso_dh) 		5 THR A 363
VAL A 114
ASP A 389
PHE A 390
ASN A 325
 None
 1.28A 6iblA-4aoyA:
undetectable		 6iblA-4aoyA:
21.27
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.
4etq ANTI-VACCINIA D8L
ANTIGEN MURINE
MONOCLONAL IGG2A
ANTIBODY LA5, HEAVY
CHAIN

(Mus musculus) 		no annotation 5 THR H  88
VAL H 118
VAL H 116
ASP H  67
TYR H  95
 None
 1.38A 6iblA-4etqH:
undetectable		 6iblA-4etqH:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		5 THR A 388
VAL A 386
ASP A 294
PHE A 300
PHE A 335
 None
 1.40A 6iblA-4f0qA:
undetectable		 6iblA-4f0qA:
21.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		10 TRP A 109
THR A 110
VAL A 114
VAL A 117
ASP A 192
PHE A 193
TRP A 258
PHE A 261
PHE A 262
TYR A 288
 None
CAU  A 500 ( 4.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-4.2A)
None
CAU  A 500 (-4.5A)
None
CAU  A 500 (-4.2A)
CAU  A 500 (-4.6A)
CAU  A 500 (-4.6A)
 0.72A 6iblA-4gbrA:
32.4		 6iblA-4gbrA:
50.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gbr BETA-2 ADRENERGIC
RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		10 TRP A 109
THR A 110
VAL A 114
VAL A 117
ASP A 192
TRP A 258
PHE A 261
PHE A 262
ASN A 265
TYR A 288
 None
CAU  A 500 ( 4.0A)
CAU  A 500 (-3.5A)
CAU  A 500 (-4.2A)
None
None
CAU  A 500 (-4.2A)
CAU  A 500 (-4.6A)
CAU  A 500 (-3.4A)
CAU  A 500 (-4.6A)
 0.71A 6iblA-4gbrA:
32.4		 6iblA-4gbrA:
50.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gi2 CROTONYL-COA
CARBOXYLASE/REDUCTAS
E

(Methylobacterium
extorquens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 321
VAL A 303
ASP A 264
PHE A 289
VAL A 259
 None
 1.48A 6iblA-4gi2A:
undetectable		 6iblA-4gi2A:
21.64
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.
4ib4 CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		PF00001
(7tm_1)
PF07361
(Cytochrom_B562) 		7 TRP A 131
VAL A 136
TRP A 337
PHE A 340
PHE A 341
ASN A 344
TYR A 370
 None
ERM  A2001 (-3.8A)
None
ERM  A2001 (-4.3A)
None
ERM  A2001 (-4.3A)
ERM  A2001 ( 4.8A)
 0.47A 6iblA-4ib4A:
28.0		 6iblA-4ib4A:
26.20
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.
4ic5 PROTEASE DO-LIKE 5,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13365
(Trypsin_2) 		5 THR A  98
VAL A 102
VAL A 103
ASP A 272
ASN A 281
 None
 1.25A 6iblA-4ic5A:
undetectable		 6iblA-4ic5A:
23.11
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 THR A 187
VAL A 185
VAL A 184
ASP A 280
VAL A  74
 None
None
None
BGC  A 942 (-2.9A)
None
 1.42A 6iblA-4iigA:
undetectable		 6iblA-4iigA:
19.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR

(Homo sapiens;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		11 TRP A1109
THR A1110
VAL A1114
VAL A1117
ASP A1192
PHE A1193
TRP A1286
PHE A1289
PHE A1290
ASN A1293
TYR A1316
 None
P0G  A1401 ( 3.9A)
P0G  A1401 (-3.7A)
P0G  A1401 ( 4.4A)
None
P0G  A1401 (-3.8A)
None
P0G  A1401 ( 4.7A)
P0G  A1401 ( 4.9A)
P0G  A1401 (-3.0A)
None
 0.44A 6iblA-4ldeA:
41.0		 6iblA-4ldeA:
45.29
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.
4mo2 UDP-GALACTOPYRANOSE
MUTASE

(Campylobacter
jejuni) 		no annotation 5 VAL B 352
ASP B 198
PHE B 197
PHE B  58
TYR B  68
 None
 1.43A 6iblA-4mo2B:
undetectable		 6iblA-4mo2B:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ni2 GUANYLATE CYCLASE
SOLUBLE SUBUNIT
BETA-1

(Homo sapiens) 		PF00211
(Guanylate_cyc) 		5 VAL B 482
VAL B 472
ASP B 418
VAL B 529
TYR B 540
 None
EDO  B 701 ( 4.9A)
None
None
None
 1.48A 6iblA-4ni2B:
undetectable		 6iblA-4ni2B:
16.59
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 VAL A 864
VAL A 895
TRP A 933
PHE A 906
ASN A 873
 None
 1.45A 6iblA-4om9A:
undetectable		 6iblA-4om9A:
17.85
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.
4p37 PUTATIVE POLY(A)
POLYMERASE CATALYTIC
SUBUNIT

(Megavirus
chiliensis) 		no annotation 5 THR B 145
VAL B 147
VAL B 151
PHE B 326
PHE B 377
 None
 1.50A 6iblA-4p37B:
undetectable		 6iblA-4p37B:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qc8 VP2

(Ungulate
bocaparvovirus
1) 		PF00740
(Parvo_coat) 		5 THR A 239
VAL A 133
VAL A 476
PHE A 241
PHE A 102
 None
 1.41A 6iblA-4qc8A:
undetectable		 6iblA-4qc8A:
20.99
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.
4tm3 KTZI

(Kutzneria sp.
744) 		PF13434
(K_oxygenase) 		5 THR A 224
VAL A 201
VAL A 339
ASP A 219
PHE A 186
 None
 1.40A 6iblA-4tm3A:
2.2		 6iblA-4tm3A:
21.78
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.
4tm3 KTZI

(Kutzneria sp.
744) 		PF13434
(K_oxygenase) 		5 THR A 224
VAL A 339
ASP A 219
TRP A 181
PHE A 186
 None
 1.17A 6iblA-4tm3A:
2.2		 6iblA-4tm3A:
21.78
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.
4u33 ALPHA-1,4-GLUCAN:MAL
TOSE-1-PHOSPHATE
MALTOSYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF11896
(DUF3416) 		5 VAL A 273
PHE A 414
PHE A 498
ASN A 496
VAL A 417
 None
 1.50A 6iblA-4u33A:
undetectable		 6iblA-4u33A:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wk5 GERANYLTRANSTRANSFER
ASE

(Thermotoga
neapolitana) 		PF00348
(polyprenyl_synt) 		5 THR A  44
ASP A 260
PHE A 261
PHE A 193
PHE A 197
 None
 1.49A 6iblA-4wk5A:
undetectable		 6iblA-4wk5A:
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.
4xmp HEAVY CHAIN OF
ANTIBODY VRC08

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR H  83
VAL H 111
VAL H 109
VAL H  67
TYR H  90
 None
 1.29A 6iblA-4xmpH:
undetectable		 6iblA-4xmpH:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xs5 SULFATE
TRANSPORTER/ANTISIGM
A-FACTOR ANTAGONIST
STAS

(Dyadobacter
fermentans) 		PF01740
(STAS) 		5 THR A  80
VAL A  46
ASP A  87
PHE A  85
PHE A  21
 None
 1.48A 6iblA-4xs5A:
undetectable		 6iblA-4xs5A:
16.13
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.
4xz7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Streptococcus
suis) 		PF01841
(Transglut_core) 		5 THR A 266
VAL A 262
VAL A 259
PHE A 313
VAL A 303
 None
 1.45A 6iblA-4xz7A:
undetectable		 6iblA-4xz7A:
21.30
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.
4y1b ANTE

(Streptomyces
sp. NRRL 2288) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 400
ASP A 390
PHE A  38
PHE A 154
VAL A  35
 None
 1.45A 6iblA-4y1bA:
undetectable		 6iblA-4y1bA:
24.10
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.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 VAL A 421
VAL A 419
PHE A 503
PHE A 505
VAL A 345
 None
 1.47A 6iblA-4z64A:
undetectable		 6iblA-4z64A:
22.01
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.
5a4a MATERNAL EFFECT
PROTEIN OSKAR

(Drosophila
melanogaster) 		PF17182
(OSK) 		5 VAL A 599
VAL A 596
TRP A 588
ASN A 519
VAL A 481
 None
 1.28A 6iblA-5a4aA:
undetectable		 6iblA-5a4aA:
18.53
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		5 THR A  85
VAL A  78
ASP A  48
PHE A  49
VAL A  58
 None
 1.47A 6iblA-5cslA:
undetectable		 6iblA-5cslA:
11.26
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.
5d1q D2-06 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR B  83
VAL B 111
VAL B 109
VAL B  67
TYR B  90
 None
 1.36A 6iblA-5d1qB:
undetectable		 6iblA-5d1qB:
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.
5d1z D4-10 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR D  88
VAL D 126
VAL D 124
VAL D  69
TYR D  95
 None
 1.36A 6iblA-5d1zD:
undetectable		 6iblA-5d1zD:
19.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 8 TRP B 117
THR B 118
VAL B 122
VAL B 125
PHE B 201
TRP B 303
PHE B 307
ASN B 310
 P32  B 400 (-4.8A)
P32  B 400 (-3.8A)
P32  B 400 (-3.5A)
P32  B 400 ( 4.7A)
P32  B 400 (-4.0A)
None
P32  B 400 (-4.9A)
P32  B 400 (-3.5A)
 0.88A 6iblA-5f8uB:
34.2		 6iblA-5f8uB:
73.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 10 TRP B 117
THR B 118
VAL B 122
VAL B 125
TRP B 303
PHE B 306
PHE B 307
ASN B 310
VAL B 326
TYR B 333
 P32  B 400 (-4.8A)
P32  B 400 (-3.8A)
P32  B 400 (-3.5A)
P32  B 400 ( 4.7A)
None
P32  B 400 (-4.1A)
P32  B 400 (-4.9A)
P32  B 400 (-3.5A)
None
P32  B 400 (-4.6A)
 0.66A 6iblA-5f8uB:
34.2		 6iblA-5f8uB:
73.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5f8u BETA-1 ADRENERGIC
RECEPTOR

(Meleagris
gallopavo) 		no annotation 5 VAL B 122
PHE B 306
PHE B 307
ASN B 310
VAL B 326
 P32  B 400 (-3.5A)
P32  B 400 (-4.1A)
P32  B 400 (-4.9A)
P32  B 400 (-3.5A)
None
 1.33A 6iblA-5f8uB:
34.2		 6iblA-5f8uB:
73.32
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.
5fbb NUCLEASE S1

(Aspergillus
oryzae) 		PF02265
(S1-P1_nuclease) 		5 TRP A 227
THR A 223
VAL A 221
ASN A 115
VAL A 133
 None
 1.47A 6iblA-5fbbA:
undetectable		 6iblA-5fbbA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmo PROTEIN INDUCED BY
OSMOTIC STRESS

(Scheffersomyces
stipitis) 		PF01370
(Epimerase) 		5 THR A 270
VAL A 219
ASP A 317
PHE A 318
VAL A 323
 None
 1.30A 6iblA-5gmoA:
undetectable		 6iblA-5gmoA:
19.91
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.
5iaa UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5

(Homo sapiens) 		PF00899
(ThiF) 		5 VAL A 175
VAL A 178
PHE A 103
PHE A 160
VAL A 146
 None
 1.33A 6iblA-5iaaA:
undetectable		 6iblA-5iaaA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 THR A 625
VAL A 627
VAL A 599
PHE A 621
ASN A 642
 DMS  A3001 (-3.8A)
None
None
None
None
 1.45A 6iblA-5ihrA:
undetectable		 6iblA-5ihrA:
17.86
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.
5k2y PROBABLE PERIPLASMIC
SUGAR-BINDING
LIPOPROTEIN USPC

(Mycobacterium
tuberculosis) 		PF01547
(SBP_bac_1) 		5 VAL A 382
VAL A 380
ASP A 145
TRP A 305
PHE A 151
 None
 1.32A 6iblA-5k2yA:
undetectable		 6iblA-5k2yA:
24.26
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.
5ljy SCFVA5

(Homo sapiens) 		PF07686
(V-set) 		5 THR H  83
VAL H 111
VAL H 109
VAL H  67
TYR H  90
 None
 1.44A 6iblA-5ljyH:
undetectable		 6iblA-5ljyH:
18.91
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.
5lu4 PYRUVATE, PHOSPHATE
DIKINASE,
CHLOROPLASTIC

(Flaveria
trinervia) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 THR A 236
VAL A 238
VAL A  94
ASP A 217
ASN A 210
 None
 1.31A 6iblA-5lu4A:
undetectable		 6iblA-5lu4A:
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.
5mlq CDPS

(Nocardia
brasiliensis) 		no annotation 5 THR A 107
VAL A 109
VAL A  64
ASP A 104
TRP A  92
 None
 1.47A 6iblA-5mlqA:
undetectable		 6iblA-5mlqA:
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 5 THR b 246
ASP b 238
TRP b  77
PHE b 358
TYR b 125
 None
 1.45A 6iblA-5oy0b:
2.5		 6iblA-5oy0b:
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.
5v54 5-HYDROXYTRYPTAMINE
RECEPTOR 1B,OB-1
FUSED 5-HT1B
RECEPTOR,5-HYDROXYTR
YPTAMINE RECEPTOR 1B

(Spodoptera
frugiperda;
Homo sapiens) 		no annotation 5 TRP A 125
TRP A 327
PHE A 330
PHE A 331
TYR A 359
 None
89F  A1201 (-3.6A)
89F  A1201 (-4.1A)
89F  A1201 (-4.6A)
None
 0.60A 6iblA-5v54A:
28.1		 6iblA-5v54A:
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.
5w8x LIPID-A-DISACCHARIDE
SYNTHASE

(Escherichia
coli) 		no annotation 5 VAL A  41
ASP A 101
PHE A 102
PHE A  94
PHE A  86
 None
 1.00A 6iblA-5w8xA:
undetectable		 6iblA-5w8xA:
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.
5wde KINESIN-LIKE PROTEIN
KIFC3

(Homo sapiens) 		PF00225
(Kinesin) 		5 VAL A 452
VAL A 745
ASP A 472
PHE A 471
ASN A 467
 None
None
UNX  A 909 ( 3.7A)
None
None
 1.45A 6iblA-5wdeA:
undetectable		 6iblA-5wdeA:
20.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 VAL A 116
TRP A 407
PHE A 410
PHE A 411
TYR A 438
 AQD  A1201 ( 3.9A)
None
AQD  A1201 (-4.7A)
AQD  A1201 (-4.6A)
None
 0.53A 6iblA-5wivA:
26.9		 6iblA-5wivA:
30.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5wiv D(4) DOPAMINE
RECEPTOR, SOLUBLE
CYTOCHROME B562
CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 VAL A 116
TRP A 407
PHE A 410
PHE A 411
VAL A 430
 AQD  A1201 ( 3.9A)
None
AQD  A1201 (-4.7A)
AQD  A1201 (-4.6A)
None
 1.26A 6iblA-5wivA:
26.9		 6iblA-5wivA:
30.64
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.
5wqs BETA-AMYLASE

(Ipomoea batatas) 		no annotation 5 VAL A  53
VAL A  55
ASP A  32
PHE A  77
VAL A  29
 None
 1.48A 6iblA-5wqsA:
undetectable		 6iblA-5wqsA:
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.
5yem CATALASE

(Mycothermus
thermophilus) 		no annotation 5 VAL A 123
VAL A 136
ASP A 170
PHE A 168
PHE A 160
 None
None
None
HEM  A 704 (-3.6A)
HEM  A 704 (-3.7A)
 1.47A 6iblA-5yemA:
3.9		 6iblA-5yemA:
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 6 TRP A 130
TRP A 324
PHE A 327
PHE A 328
ASN A 331
TYR A 358
 None
E2J  A1201 ( 3.7A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.4A)
None
None
 0.56A 6iblA-6bqhA:
26.6		 6iblA-6bqhA:
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.
6bqh 5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562

(Escherichia
coli;
Homo sapiens) 		no annotation 6 TRP A 130
VAL A 135
TRP A 324
PHE A 327
PHE A 328
TYR A 358
 None
E2J  A1201 (-3.8A)
E2J  A1201 ( 3.7A)
E2J  A1201 (-4.6A)
E2J  A1201 (-4.4A)
None
 0.63A 6iblA-6bqhA:
26.6		 6iblA-6bqhA:
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.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA

(Homo sapiens;
Escherichia
virus T4) 		no annotation 5 VAL A 115
TRP A 386
PHE A 389
PHE A 390
TYR A 416
 8NU  A2001 ( 3.5A)
8NU  A2001 ( 3.8A)
8NU  A2001 ( 4.5A)
8NU  A2001 ( 4.8A)
8NU  A2001 ( 4.9A)
 0.60A 6iblA-6cm4A:
26.6		 6iblA-6cm4A:
25.85
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.
6cuf -

(-) 		no annotation 5 THR 5  83
VAL 5 109
VAL 5 107
VAL 5  67
TYR 5  90
 None
 1.46A 6iblA-6cuf5:
undetectable		 6iblA-6cuf5:
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.
6cuf -

(-) 		no annotation 5 THR 8  83
VAL 8 111
VAL 8 109
VAL 8  67
TYR 8  90
 None
 1.25A 6iblA-6cuf8:
undetectable		 6iblA-6cuf8:
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.
6g79 5-HYDROXYTRYPTAMINE
RECEPTOR 1B

(Homo sapiens) 		no annotation 5 TRP S 125
TRP S 327
PHE S 330
PHE S 331
TYR S 359
 None
None
EP5  S 401 (-4.0A)
EP5  S 401 (-4.7A)
EP5  S 401 ( 4.9A)
 0.51A 6iblA-6g79S:
23.9		 6iblA-6g79S:
undetectable