SIMILAR PATTERNS OF AMINO ACIDS FOR 6AWP_A_FVXA701_1

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ae1 TROPINONE
REDUCTASE-I

(Datura
stramonium) 		PF13561
(adh_short_C2) 		5 ASN A 179
ILE A 126
SER A 157
SER A 172
SER A 169
 None
 1.31A 6awpA-1ae1A:
0.0		 6awpA-1ae1A:
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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 ASN A 511
ILE A 488
SER A 490
GLY A 492
THR A 498
 None
 1.45A 6awpA-1aorA:
0.0		 6awpA-1aorA:
23.27
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.
1euf DUODENASE

(Bos taurus) 		PF00089
(Trypsin) 		5 SER A  38
PHE A  32
SER A 195
GLY A  43
THR A 152
 NAG  A 500 ( 4.5A)
None
None
None
None
 1.47A 6awpA-1eufA:
undetectable		 6awpA-1eufA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fq3 GRANZYME B

(Homo sapiens) 		PF00089
(Trypsin) 		5 ASN A  98
SER A 100
SER A 214
SER A 195
GLY A 196
 None
None
None
SO4  A 800 (-2.4A)
None
 1.39A 6awpA-1fq3A:
undetectable		 6awpA-1fq3A:
16.58
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.
1ivh ISOVALERYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ASN A 169
SER A  96
SER A 126
GLY A  56
THR A  64
 None
 1.37A 6awpA-1ivhA:
1.1		 6awpA-1ivhA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j6u UDP-N-ACETYLMURAMATE
-ALANINE LIGASE MURC

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 175
SER A 195
SER A 217
GLY A 220
THR A 108
 None
 1.32A 6awpA-1j6uA:
0.0		 6awpA-1j6uA:
23.72
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.
1nyt SHIKIMATE
5-DEHYDROGENASE

(Escherichia
coli) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ILE A 199
PHE A 181
SER A 202
SER A 201
THR A 148
 None
 0.97A 6awpA-1nytA:
0.0		 6awpA-1nytA:
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.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 SER A 446
PHE A 540
SER A 319
GLY A 531
THR A 328
 None
 1.39A 6awpA-1pd1A:
2.1		 6awpA-1pd1A:
19.78
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.
2ae6 ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		5 ASP A 105
ILE A  65
SER A 101
SER A  98
GLY A  97
 MG  A 302 ( 4.4A)
None
MG  A 302 (-2.4A)
None
None
 1.43A 6awpA-2ae6A:
undetectable		 6awpA-2ae6A:
15.08
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.
2akz GAMMA ENOLASE

(Homo sapiens) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ASN A 101
ILE A  72
SER A 103
GLY A 112
THR A  71
 None
 1.50A 6awpA-2akzA:
0.0		 6awpA-2akzA:
23.08
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.
2f57 SERINE/THREONINE-PRO
TEIN KINASE PAK 7

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASN A 505
ILE A 626
PHE A 676
SER A 628
GLY A 630
 None
 1.39A 6awpA-2f57A:
undetectable		 6awpA-2f57A:
20.25
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.
2iwg 52 KDA RO PROTEIN

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		5 SER B 151
PHE B 155
SER B  90
SER B  92
GLY B  93
 None
 1.47A 6awpA-2iwgB:
undetectable		 6awpA-2iwgB:
14.00
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.
2paf LACTOSE OPERON
REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 ASP A 247
ASN A 246
SER A 279
SER A 280
THR A 329
 None
NPF  A 902 (-3.7A)
None
None
None
 1.21A 6awpA-2pafA:
undetectable		 6awpA-2pafA:
18.46
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 ASP A  87
ASN A  84
ILE A  48
SER A  92
GLY A  93
 None
 1.38A 6awpA-2vn8A:
undetectable		 6awpA-2vn8A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vun ENAMIDASE

(Eubacterium
barkeri) 		PF01979
(Amidohydro_1) 		5 ILE A 334
SER A  87
SER A 373
SER A 360
GLY A 358
 None
 1.43A 6awpA-2vunA:
undetectable		 6awpA-2vunA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2we8 XANTHINE
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF02625
(XdhC_CoxI)
PF13478
(XdhC_C) 		5 ILE A 350
SER A 306
SER A 332
SER A 331
GLY A 302
 None
None
ACT  A1368 (-4.4A)
None
None
 1.16A 6awpA-2we8A:
undetectable		 6awpA-2we8A:
22.12
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.
3ajz ANCESTRAL CONGERIN
CON-ANC

(-) 		PF00337
(Gal-bind_lectin) 		5 SER A  29
PHE A  83
SER A  23
GLY A  80
THR A 127
 None
 1.20A 6awpA-3ajzA:
undetectable		 6awpA-3ajzA:
13.30
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.
3ddr HASR PROTEIN

(Serratia
marcescens) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ASN A 424
ILE A 354
SER A 417
GLY A 356
THR A 377
 None
 1.32A 6awpA-3ddrA:
undetectable		 6awpA-3ddrA:
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.
3eab CHMP1B
SPASTIN

(Homo sapiens) 		no annotation 5 ASP G 186
SER G 189
PHE A 124
SER G 182
SER G 179
 None
 1.50A 6awpA-3eabG:
undetectable		 6awpA-3eabG:
6.94
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.
3eu8 PUTATIVE
GLUCOAMYLASE

(Bacteroides
fragilis) 		PF10091
(Glycoamylase)
PF11329
(DUF3131) 		5 ILE A 411
PHE A 158
SER A  85
SER A  88
GLY A  89
 None
None
None
EDO  A 474 (-4.0A)
None
 1.38A 6awpA-3eu8A:
undetectable		 6awpA-3eu8A:
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.
3fn4 NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Moraxella sp.) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 SER A 339
PHE A  44
SER A  52
GLY A  55
THR A 348
 None
 1.42A 6awpA-3fn4A:
undetectable		 6awpA-3fn4A:
21.86
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.
3grp 3-OXOACYL-(ACYL
CARRIERPROTEIN)
REDUCTASE

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		5 ASN A 111
ILE A  22
SER A 139
GLY A  17
THR A 220
 None
 1.05A 6awpA-3grpA:
undetectable		 6awpA-3grpA:
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.
3hng VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ASN A1034
SER A1001
PHE A1093
SER A 918
GLY A1096
 None
 1.39A 6awpA-3hngA:
undetectable		 6awpA-3hngA:
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.
3hx6 TYPE 4 FIMBRIAL
BIOGENESIS PROTEIN
PILY1

(Pseudomonas
aeruginosa) 		PF05567
(Neisseria_PilC) 		5 PHE A 788
SER A 810
SER A 811
GLY A 785
THR A 922
 None
 1.49A 6awpA-3hx6A:
undetectable		 6awpA-3hx6A:
21.77
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.
3k5r CADHERIN 13

(Mus musculus) 		PF00028
(Cadherin) 		5 ASN A 159
ILE A 215
SER A 157
SER A 120
GLY A 119
 None
 1.18A 6awpA-3k5rA:
undetectable		 6awpA-3k5rA:
17.47
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.
3lbb PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.793

(Streptococcus
mutans) 		PF03061
(4HBT) 		5 ASP A  52
ILE A  87
SER A  55
GLY A  89
THR A  29
 None
 1.28A 6awpA-3lbbA:
undetectable		 6awpA-3lbbA:
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 ASN A 727
ILE A 903
SER A 783
SER A 905
GLY A 907
 None
 1.43A 6awpA-3lj0A:
undetectable		 6awpA-3lj0A:
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.
3pig BETA-FRUCTOFURANOSID
ASE

(Bifidobacterium
longum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASN A 155
SER A 160
PHE A 101
GLY A  57
THR A 150
 None
 1.11A 6awpA-3pigA:
undetectable		 6awpA-3pigA:
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.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A  91
PHE A  74
SER A  79
SER A  80
THR A 263
 None
 1.31A 6awpA-3rcyA:
undetectable		 6awpA-3rcyA:
19.76
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.
3see HYPOTHETICAL SUGAR
BINDING PROTEIN

(Bacteroides
thetaiotaomicron) 		PF15425
(DUF4627) 		5 ASP A 209
ASN A 128
SER A  40
PHE A  48
GLY A  45
 None
 1.23A 6awpA-3seeA:
undetectable		 6awpA-3seeA:
16.85
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.
3vex O-CARBAMOYLTRANSFERA
SE TOBZ

(Streptoalloteichus
tenebrarius) 		PF02543
(Carbam_trans_N)
PF16861
(Carbam_trans_C) 		5 ASP A 338
ASN A  14
ILE A 135
SER A 337
GLY A 312
 CA0  A 602 ( 2.8A)
None
None
CA0  A 602 (-4.3A)
None
 1.34A 6awpA-3vexA:
1.3		 6awpA-3vexA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 ILE A 135
SER A 276
SER A 460
GLY A 463
THR A 137
 None
 1.27A 6awpA-4b8sA:
undetectable		 6awpA-4b8sA:
22.43
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		5 ILE A 135
SER A 454
SER A 460
GLY A 463
THR A 137
 None
GOL  A1468 ( 4.5A)
None
None
None
 1.16A 6awpA-4b8sA:
undetectable		 6awpA-4b8sA:
22.43
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.
4cj0 ENDOGLUCANASE D

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		5 ASP A 488
ASN A 484
SER A  66
SER A 491
GLY A 495
 None
 1.37A 6awpA-4cj0A:
undetectable		 6awpA-4cj0A:
21.94
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.
4d8u D-CYSTEINE
DESULFHYDRASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ILE A 238
SER A 193
SER A 161
SER A 162
GLY A 165
 None
None
LLP  A  51 ( 3.4A)
None
None
 1.35A 6awpA-4d8uA:
undetectable		 6awpA-4d8uA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ejs ELONGATOR COMPLEX
PROTEIN 6

(Saccharomyces
cerevisiae) 		no annotation 5 ASN C 186
SER C  38
PHE C 228
SER C 235
GLY C 234
 None
 1.32A 6awpA-4ejsC:
undetectable		 6awpA-4ejsC:
18.41
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.
4fs7 UNCHARACTERIZED
PROTEIN

(Bacteroides
ovatus) 		PF13306
(LRR_5) 		5 ASN A 254
SER A 277
SER A 248
GLY A 271
THR A 312
 None
 1.42A 6awpA-4fs7A:
undetectable		 6awpA-4fs7A:
21.39
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.
4ft2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Zea mays) 		PF00145
(DNA_methylase)
PF00385
(Chromo)
PF01426
(BAH) 		5 ASP A 375
ASN A 395
SER A 348
GLY A 352
THR A 803
 SAH  A1000 (-2.5A)
None
None
SAH  A1000 (-3.9A)
None
 1.32A 6awpA-4ft2A:
undetectable		 6awpA-4ft2A:
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.
4ga6 PUTATIVE THYMIDINE
PHOSPHORYLASE

(Thermococcus
kodakarensis) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		5 ASN A 172
ILE A 247
SER A 165
SER A 193
GLY A 234
 None
None
SO4  A 602 ( 4.4A)
SO4  A 602 (-2.3A)
None
 1.29A 6awpA-4ga6A:
undetectable		 6awpA-4ga6A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		5 ILE A  34
SER A 325
SER A 174
GLY A 203
THR A  32
 None
None
NAD  A 601 (-3.8A)
None
None
 1.32A 6awpA-4go4A:
undetectable		 6awpA-4go4A:
22.28
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.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		5 ASN A 175
ILE A 373
SER A 366
SER A 368
THR A 403
 NO2  A 501 ( 4.4A)
None
None
None
None
 1.47A 6awpA-4jreA:
undetectable		 6awpA-4jreA:
22.96
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		5 SER A 756
PHE A 554
SER A 780
GLY A 298
THR A 201
 None
 1.23A 6awpA-4lglA:
undetectable		 6awpA-4lglA:
20.93
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		5 ASN A 296
ILE A 381
SER A  33
GLY A  26
THR A 471
 None
 1.34A 6awpA-4mt1A:
1.7		 6awpA-4mt1A:
20.85
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.
4nsx U3 SMALL NUCLEOLAR
RNA-ASSOCIATED
PROTEIN 21

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		5 ILE A 609
SER A 594
PHE A  24
GLY A 622
THR A 643
 None
 1.27A 6awpA-4nsxA:
undetectable		 6awpA-4nsxA:
20.70
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.
4o2z MITOGEN-ACTIVATED
PROTEIN KINASE 3,
PUTATIVE

(Leishmania
donovani) 		PF00069
(Pkinase) 		5 ASN A 105
ILE A 234
PHE A 310
SER A 236
GLY A 238
 None
 1.47A 6awpA-4o2zA:
undetectable		 6awpA-4o2zA:
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.
4ofx CYSTATHIONINE
BETA-SYNTHASE

(Coxiella
burnetii) 		PF00291
(PALP) 		5 ASN A  73
ILE A 292
SER A 268
SER A 269
THR A 160
 None
 1.37A 6awpA-4ofxA:
undetectable		 6awpA-4ofxA:
19.61
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		5 ASN A 187
SER A 251
PHE A 300
GLY A 305
THR A 211
 None
 1.41A 6awpA-4txgA:
undetectable		 6awpA-4txgA:
21.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		5 ASN A 352
ILE A 127
SER A 320
SER A 421
SER A 422
 NA  A 601 (-3.6A)
None
NA  A 601 (-2.4A)
NA  A 602 ( 2.4A)
None
 1.31A 6awpA-4xnuA:
54.2		 6awpA-4xnuA:
53.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		7 ASP A  46
ASN A  49
SER A 320
PHE A 325
SER A 421
SER A 422
GLY A 425
 41U  A 605 ( 3.3A)
NA  A 601 (-2.9A)
NA  A 601 (-2.4A)
41U  A 605 ( 4.7A)
NA  A 602 ( 2.4A)
None
41U  A 605 ( 3.7A)
 0.48A 6awpA-4xnuA:
54.2		 6awpA-4xnuA:
53.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		6 ASP A  46
ASN A  49
SER A 320
SER A 421
SER A 422
GLY A 424
 41U  A 605 ( 3.3A)
NA  A 601 (-2.9A)
NA  A 601 (-2.4A)
NA  A 602 ( 2.4A)
None
None
 0.86A 6awpA-4xnuA:
54.2		 6awpA-4xnuA:
53.25
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus) 		PF04196
(Bunya_RdRp)
PF15518
(L_protein_N) 		5 ILE A 543
SER A 589
PHE A 344
SER A 328
GLY A 348
 None
 1.38A 6awpA-5amqA:
0.6		 6awpA-5amqA:
13.41
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.
5f89 CAP248-2B HEAVY
CHAIN
CAP248-2B LIGHT
CHAIN

(Homo sapiens) 		no annotation 5 SER L 177
SER H 179
SER H 180
GLY H 139
THR L 115
 None
 1.39A 6awpA-5f89L:
undetectable		 6awpA-5f89L:
17.57
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.
5f9a ADHESIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN,ADHESIN,ADHE
SIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 SER A 149
SER A 115
SER A 117
GLY A 193
THR A 188
 None
None
None
FUC  A1005 ( 4.9A)
None
 1.35A 6awpA-5f9aA:
0.1		 6awpA-5f9aA:
21.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5i6z SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER

(Homo sapiens) 		PF00209
(SNF) 		8 ASP A  98
ASN A 101
ILE A 172
SER A 336
SER A 438
SER A 439
GLY A 442
THR A 497
 None
 0.46A 6awpA-5i6zA:
61.9		 6awpA-5i6zA:
99.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ixq RECEPTOR-LIKE
PROTEIN KINASE 5

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ILE A 443
SER A 459
PHE A 463
SER A 466
GLY A 465
 None
MG  A 715 (-3.0A)
None
None
None
 1.38A 6awpA-5ixqA:
undetectable		 6awpA-5ixqA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jd6 MGS-MCHE2

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		5 ASN A 183
ILE A 113
SER A 117
GLY A 115
THR A 195
 None
 1.33A 6awpA-5jd6A:
undetectable		 6awpA-5jd6A:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jzg CAPSID PROTEIN VP0

(Rhinovirus C) 		PF00073
(Rhv)
PF02226
(Pico_P1A) 		5 ILE C 293
SER C 218
SER C 141
GLY C 143
THR C 176
 None
 1.48A 6awpA-5jzgC:
undetectable		 6awpA-5jzgC:
18.99
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.
5k0u CAPSID PROTEIN VP2

(Rhinovirus C) 		PF00073
(Rhv) 		5 ILE C 227
SER C 152
SER C  75
GLY C  77
THR C 110
 None
 1.50A 6awpA-5k0uC:
undetectable		 6awpA-5k0uC:
18.49
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.
5l35 GENE 5 PROTEIN

(Shigella virus
Sf6) 		PF11651
(P22_CoatProtein) 		5 ASN A  85
ILE A  40
SER A 364
GLY A 363
THR A  44
 None
 1.39A 6awpA-5l35A:
undetectable		 6awpA-5l35A:
22.18
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.
5l56 PLEXIN-A1

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		5 ASP A1108
ILE A1057
PHE A1224
SER A1106
GLY A1061
 None
 1.21A 6awpA-5l56A:
undetectable		 6awpA-5l56A:
18.11
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.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 5 ASP A 430
ASN A 438
SER A 440
SER A 367
GLY A 366
 None
 1.20A 6awpA-5mzsA:
undetectable		 6awpA-5mzsA:
9.11
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 20

(Schizosaccharomyces
pombe) 		PF08612
(Med20) 		5 SER Y 157
PHE Y  17
SER Y  11
SER Y  10
GLY Y 123
 None
 1.37A 6awpA-5n9jY:
undetectable		 6awpA-5n9jY:
17.78
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.
5t4z ANTIBODY DH501 FAB
HEAVY CHAIN
ANTIBODY DH501 FAB
LIGHT CHAIN

(Macaca mulatta) 		no annotation 5 SER L 176
SER H 179
SER H 180
GLY H 139
THR L 114
 None
 1.39A 6awpA-5t4zL:
undetectable		 6awpA-5t4zL:
16.85
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.
5tnu DNA-DEPENDENT ATPASE
XPBII

(Sulfurisphaera
tokodaii) 		no annotation 5 ASP A 333
ILE A 312
SER A 376
SER A 308
THR A 343
 None
 1.42A 6awpA-5tnuA:
undetectable		 6awpA-5tnuA:
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		5 SER A1233
SER A1532
SER A1533
GLY A1506
THR A1459
 None
 1.16A 6awpA-5u1sA:
undetectable		 6awpA-5u1sA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5upy INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Listeria
monocytogenes) 		PF00478
(IMPDH) 		5 ASP A 341
ASN A 280
ILE A  54
GLY A  70
THR A  53
 IMP  A 500 (-2.6A)
IMP  A 500 ( 4.3A)
None
None
None
 1.42A 6awpA-5upyA:
undetectable		 6awpA-5upyA:
23.53
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.
6b3x CLEAVAGE STIMULATION
FACTOR SUBUNIT 1

(Homo sapiens) 		no annotation 5 ASN A 269
ILE A 123
SER A 406
GLY A 120
THR A 125
 None
 1.42A 6awpA-6b3xA:
undetectable		 6awpA-6b3xA:
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.
6byw GOXA

(Pseudoalteromonas
luteoviolacea) 		no annotation 5 ILE B 480
SER B 496
SER B 512
GLY B 511
THR B 687
 None
 1.37A 6awpA-6bywB:
undetectable		 6awpA-6bywB:
9.85
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.
6c2h CYSTATHIONINE
BETA-SYNTHASE

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 319
ILE A 316
SER A 289
GLY A 194
THR A 171
 PLP  A 401 (-3.3A)
None
PLP  A 401 (-2.6A)
None
None
 1.47A 6awpA-6c2hA:
undetectable		 6awpA-6c2hA:
10.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cnk IGG1 HEAVY CHAIN
IGG1 KAPPA LIGHT
CHAIN

(Mus musculus) 		no annotation 5 SER F 182
SER G 185
SER G 186
GLY G 146
THR F 119
 None
 1.17A 6awpA-6cnkF:
undetectable		 6awpA-6cnkF:
9.47
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.
6epd PROTEASOME SUBUNIT
BETA TYPE-6

(Rattus
norvegicus) 		no annotation 5 ILE 1 168
SER 1  81
SER 1 203
SER 1 202
GLY 1 201
 None
 1.29A 6awpA-6epd1:
undetectable		 6awpA-6epd1:
9.93
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.
6gui -

(-) 		no annotation 5 ASN A 267
SER A 148
SER A 274
SER A 276
GLY A 278
 None
 1.07A 6awpA-6guiA:
undetectable		 6awpA-6guiA:
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.
6gun -

(-) 		no annotation 5 ILE A 182
SER A 273
SER A 179
SER A 155
GLY A 158
 None
 1.43A 6awpA-6gunA:
undetectable		 6awpA-6gunA:
undetectable