SIMILAR PATTERNS OF AMINO ACIDS FOR 3S45_B_478B201_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.
1bkb TRANSLATION
INITIATION FACTOR 5A

(Pyrobaculum
aerophilum) 		PF01287
(eIF-5a)
PF08207
(EFP_N) 		5 ALA A  81
ASP A  95
ILE A 102
ILE A 135
ILE A  91
 None
 1.02A 3s45A-1bkbA:
undetectable		 3s45A-1bkbA:
25.00
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.
1d2i PROTEIN (RESTRICTION
ENDONUCLEASE BGLII)

(Bacillus
subtilis) 		PF09195
(Endonuc-BglII) 		5 ILE A  70
GLY A 123
PRO A  73
ILE A  72
ILE A  83
 None
 0.91A 3s45A-1d2iA:
undetectable		 3s45A-1d2iA:
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.
1d5t GUANINE NUCLEOTIDE
DISSOCIATION
INHIBITOR

(Bos taurus) 		PF00996
(GDI) 		5 ALA A 344
ILE A 303
ILE A  46
ILE A 352
ILE A 350
 None
 1.04A 3s45A-1d5tA:
undetectable		 3s45A-1d5tA:
11.43
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.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-3.6A)
 1.32A 3s45A-1hvcA:
12.6		 3s45A-1hvcA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.61A 3s45A-1hvcA:
12.6		 3s45A-1hvcA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.45A 3s45A-1hvcA:
12.6		 3s45A-1hvcA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.92A 3s45A-1hvcA:
12.6		 3s45A-1hvcA:
27.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iyx ENOLASE

(Enterococcus
hirae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 109
ILE A  73
ILE A  94
ILE A  78
ILE A  74
 None
 0.95A 3s45A-1iyxA:
undetectable		 3s45A-1iyxA:
17.90
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.
1l8w VLSE1

(Borreliella
burgdorferi) 		PF00921
(Lipoprotein_2) 		5 ALA A 290
ASP A 160
ILE A 260
ILE A 171
PRO A 255
 None
 0.96A 3s45A-1l8wA:
undetectable		 3s45A-1l8wA:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pz1 GENERAL STRESS
PROTEIN 69

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		5 ALA A  82
ASP A  52
GLY A 153
ILE A 152
ILE A  11
 None
NAP  A 500 (-4.0A)
None
None
None
 0.85A 3s45A-1pz1A:
undetectable		 3s45A-1pz1A:
15.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 0.67A 3s45A-1q9pA:
9.7		 3s45A-1q9pA:
49.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
ILE A  82
ILE A  84
 None
 1.35A 3s45A-1sivA:
21.2		 3s45A-1sivA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		9 ASP A  25
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 None
 0.46A 3s45A-1sivA:
21.2		 3s45A-1sivA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ILE A  32
GLY A  48
PRO A  81
ILE A  82
ILE A  84
 None
 0.97A 3s45A-1sivA:
21.2		 3s45A-1sivA:
86.87
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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ILE A 315
GLY A 363
ILE A  31
ILE A   5
ILE A 283
 None
 0.93A 3s45A-1to6A:
undetectable		 3s45A-1to6A:
15.75
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.
1ttu LIN-12 AND GLP-1
TRANSCRIPTIONAL
REGULATOR

(Caenorhabditis
elegans) 		PF01833
(TIG)
PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		5 ILE A 242
GLY A 291
ILE A 292
PRO A 240
ILE A 219
 None
 0.96A 3s45A-1ttuA:
undetectable		 3s45A-1ttuA:
12.39
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.
1xe1 HYPOTHETICAL PROTEIN
PF0907

(Pyrococcus
furiosus) 		PF14578
(GTP_EFTU_D4) 		5 ASP A  84
ALA A  80
ILE A  88
GLY A  27
ILE A  86
 None
 0.97A 3s45A-1xe1A:
undetectable		 3s45A-1xe1A:
26.45
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.
1xio ANABAENA SENSORY
RHODOPSIN

(Nostoc sp. PCC
7120) 		PF01036
(Bac_rhodopsin) 		5 ILE A 141
GLY A 103
ILE A 102
ILE A 146
ILE A 142
 PEE  A 311 ( 4.5A)
None
None
None
None
 0.88A 3s45A-1xioA:
undetectable		 3s45A-1xioA:
19.08
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.
1y7e PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Borreliella
burgdorferi) 		PF02127
(Peptidase_M18) 		6 ALA A 103
ASP A 102
ILE A 233
GLY A 139
ILE A 194
ILE A 117
 None
 1.35A 3s45A-1y7eA:
undetectable		 3s45A-1y7eA:
14.14
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.
1z05 TRANSCRIPTIONAL
REGULATOR, ROK
FAMILY

(Vibrio cholerae) 		PF00480
(ROK) 		5 ILE A 218
GLY A 244
ILE A 246
ILE A 325
ILE A 216
 None
 1.02A 3s45A-1z05A:
undetectable		 3s45A-1z05A:
14.21
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.
2bty ACETYLGLUTAMATE
KINASE

(Thermotoga
maritima) 		PF00696
(AA_kinase) 		5 ILE A 165
GLY A 169
ILE A 170
ILE A 152
ILE A 120
 None
 0.96A 3s45A-2btyA:
undetectable		 3s45A-2btyA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f2a ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Staphylococcus
aureus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 GLY B 103
ILE B 118
PRO B  98
ILE B  99
ILE B  70
 None
 0.98A 3s45A-2f2aB:
undetectable		 3s45A-2f2aB:
14.43
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.
2f31 DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		5 ALA A 238
ILE A 208
GLY A 231
ILE A 232
ILE A 209
 None
 0.94A 3s45A-2f31A:
undetectable		 3s45A-2f31A:
17.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.38A 3s45A-2fmbA:
15.7		 3s45A-2fmbA:
37.61
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.
2ppv UNCHARACTERIZED
PROTEIN

(Staphylococcus
epidermidis) 		PF01933
(UPF0052) 		5 ALA A 209
ASP A 178
ILE A 171
ILE A   9
ILE A 180
 None
 0.96A 3s45A-2ppvA:
undetectable		 3s45A-2ppvA:
15.48
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.
2qq1 MOLYBDENUM COFACTOR
BIOSYNTHESIS MOG

(Aquifex
aeolicus) 		PF00994
(MoCF_biosynth) 		5 ALA A   6
ILE A  38
GLY A   9
ILE A  72
ILE A 164
 None
 0.84A 3s45A-2qq1A:
undetectable		 3s45A-2qq1A:
20.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 1.49A 3s45A-2rkfA:
19.0		 3s45A-2rkfA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.43A 3s45A-2rkfA:
19.0		 3s45A-2rkfA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ILE A  32
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.95A 3s45A-2rkfA:
19.0		 3s45A-2rkfA:
49.49
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.
2vk9 ALPHA-TOXIN

(Clostridium
novyi) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		5 ASP A 284
GLY A 476
ILE A 479
ILE A 370
ILE A 389
 None
 0.89A 3s45A-2vk9A:
undetectable		 3s45A-2vk9A:
11.38
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.
2yvt HYPOTHETICAL PROTEIN
AQ_1956

(Aquifex
aeolicus) 		PF14582
(Metallophos_3) 		5 GLY A 138
ILE A 179
PRO A 213
ILE A 208
ILE A 207
 None
 0.94A 3s45A-2yvtA:
undetectable		 3s45A-2yvtA:
17.58
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.
3acp WD REPEAT-CONTAINING
PROTEIN YGL004C

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 ALA A 134
ILE A 139
ILE A 162
ILE A 110
ILE A 118
 None
 0.98A 3s45A-3acpA:
undetectable		 3s45A-3acpA:
11.75
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		6 ASP A 214
ILE A 209
GLY A 242
ILE A 278
ILE A 218
ILE A 213
 None
 1.49A 3s45A-3anyA:
undetectable		 3s45A-3anyA:
13.00
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.
3dto BH2835 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		5 ALA A  54
ILE A 100
ILE A  30
ILE A  61
ILE A  97
 None
 1.04A 3s45A-3dtoA:
undetectable		 3s45A-3dtoA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 ALA A 438
ILE A 115
GLY A 300
ILE A 180
ILE A 114
 HEM  A 500 (-3.8A)
HEM  A 500 (-4.0A)
HEM  A 500 (-3.4A)
None
HEM  A 500 (-4.0A)
 0.86A 3s45A-3e4eA:
undetectable		 3s45A-3e4eA:
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.
3g4s 50S RIBOSOMAL
PROTEIN L7AE

(Haloarcula
marismortui) 		PF01248
(Ribosomal_L7Ae) 		5 ALA F  45
ILE F  75
PRO F  64
ILE F  63
ILE F  40
 None
 1.02A 3s45A-3g4sF:
undetectable		 3s45A-3g4sF:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gla LOW MOLECULAR WEIGHT
HEAT SHOCK PROTEIN

(Xanthomonas
citri) 		PF00011
(HSP20) 		5 ASP A 118
GLY A  76
ILE A  77
ILE A 131
ILE A 120
 None
 0.77A 3s45A-3glaA:
undetectable		 3s45A-3glaA:
20.91
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.
3hx1 SLR1951 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00498
(FHA) 		5 ALA A  54
ASP A  72
ILE A  16
ILE A  96
ILE A  70
 None
 1.01A 3s45A-3hx1A:
undetectable		 3s45A-3hx1A:
23.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 None
 1.05A 3s45A-3mwsA:
19.2		 3s45A-3mwsA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.56A 3s45A-3mwsA:
19.2		 3s45A-3mwsA:
48.48
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956

(Vibrio
parahaemolyticus) 		no annotation 5 ALA A 366
GLY A 472
ILE A 413
ILE A 464
ILE A 299
 None
 0.92A 3s45A-3nlcA:
undetectable		 3s45A-3nlcA:
11.18
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.
3peh ENDOPLASMIN HOMOLOG

(Plasmodium
falciparum) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 ASP A  86
ILE A  87
ILE A 165
ILE A 187
ILE A  88
 None
None
IBD  A1001 (-4.6A)
None
None
 0.87A 3s45A-3pehA:
undetectable		 3s45A-3pehA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxl LACCASE

(Trametes
hirsuta) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 ALA A 378
ASP A 442
GLY A 321
ILE A 326
ILE A 380
 None
 1.04A 3s45A-3pxlA:
undetectable		 3s45A-3pxlA:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qbm TETR TRANSCRIPTIONAL
REGULATOR

(Chloroflexus
aurantiacus) 		PF00440
(TetR_N)
PF16859
(TetR_C_11) 		5 ASP A  81
GLY A 141
ILE A 142
ILE A 134
ILE A  83
 None
 0.94A 3s45A-3qbmA:
undetectable		 3s45A-3qbmA:
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.
3r2u METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Staphylococcus
aureus) 		PF00753
(Lactamase_B) 		6 ASP A  67
ASP A  34
ILE A  32
GLY A 335
ILE A 252
ILE A  65
 None
 1.43A 3s45A-3r2uA:
undetectable		 3s45A-3r2uA:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sze SERINE PROTEASE ESPP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 ALA A 723
ASP A 743
ILE A 738
ILE A 715
ILE A 717
 None
 1.02A 3s45A-3szeA:
undetectable		 3s45A-3szeA:
8.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.82A 3s45A-3t3cA:
18.4		 3s45A-3t3cA:
50.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tbf GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Francisella
tularensis) 		PF01380
(SIS) 		5 ASP A 458
ILE A 457
ILE A 495
ILE A 547
ILE A 460
 None
 1.00A 3s45A-3tbfA:
undetectable		 3s45A-3tbfA:
13.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.48A 3s45A-3ttpA:
19.7		 3s45A-3ttpA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ILE A  32
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
None
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.00A 3s45A-3ttpA:
19.7		 3s45A-3ttpA:
52.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.61A 3s45A-3u7sA:
19.0		 3s45A-3u7sA:
47.47
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.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 ILE A 370
GLY A 344
ILE A 305
ILE A 368
ILE A 325
 None
 1.02A 3s45A-3vabA:
undetectable		 3s45A-3vabA:
12.64
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.
3vsm OCCLUSION-DERIVED
VIRUS ENVELOPE
PROTEIN E66

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF04850
(Baculo_E66) 		5 ASP A 285
ALA A 367
GLY A 386
ILE A 289
ILE A 287
 None
 1.00A 3s45A-3vsmA:
undetectable		 3s45A-3vsmA:
10.36
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.
3vu1 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0242

(Pyrococcus
horikoshii) 		no annotation 5 ALA A 620
ILE A 639
ILE A 605
ILE A 624
ILE A 622
 None
 1.00A 3s45A-3vu1A:
undetectable		 3s45A-3vu1A:
12.94
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.
3vx4 PUTATIVE ABC
TRANSPORTER,
ATP-BINDING PROTEIN
COMA

(Streptococcus
mutans) 		PF00005
(ABC_tran) 		5 ASP A 689
ILE A 687
ILE A 547
ILE A 551
ILE A 716
 MG  A 802 ( 3.9A)
None
None
None
None
 0.88A 3s45A-3vx4A:
undetectable		 3s45A-3vx4A:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a01 PROTON
PYROPHOSPHATASE

(Vigna radiata) 		PF03030
(H_PPase) 		5 ALA A 485
ILE A 470
GLY A 546
ILE A 418
ILE A 468
 None
 0.99A 3s45A-4a01A:
undetectable		 3s45A-4a01A:
9.84
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
ILE A 125
GLY A 130
ILE A 135
ILE A 144
 None
 0.98A 3s45A-4c30A:
undetectable		 3s45A-4c30A:
11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		5 ALA A 233
GLY A 215
ILE A 213
ILE A 183
ILE A 332
 None
 0.98A 3s45A-4ddqA:
undetectable		 3s45A-4ddqA:
12.39
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.
4fvv NEUROTOXIN

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ILE A1008
GLY A 967
ILE A 968
ILE A1020
ILE A1018
 None
 1.03A 3s45A-4fvvA:
undetectable		 3s45A-4fvvA:
19.10
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.
4ghk GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		5 ALA A 134
ILE A 120
GLY A 391
ILE A 123
ILE A 122
 None
 1.02A 3s45A-4ghkA:
undetectable		 3s45A-4ghkA:
14.32
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.
4ivi CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		5 ASP A 223
ILE A 203
GLY A 173
PRO A 207
ILE A 170
 None
 0.98A 3s45A-4iviA:
undetectable		 3s45A-4iviA:
11.01
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.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		5 ILE A  88
GLY A  13
ILE A  22
ILE A  66
ILE A  92
 None
 1.03A 3s45A-4jjpA:
undetectable		 3s45A-4jjpA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lsm GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
cruzi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  27
ILE A  11
ILE A  19
ILE A  38
ILE A  35
 None
None
NAD  A 401 (-4.0A)
None
None
 0.88A 3s45A-4lsmA:
undetectable		 3s45A-4lsmA:
14.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.98A 3s45A-4njvA:
18.7		 3s45A-4njvA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.54A 3s45A-4njvA:
18.7		 3s45A-4njvA:
47.47
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.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 ILE A 179
GLY A 444
ILE A 446
ILE A 145
ILE A 182
 None
HEM  A 600 ( 3.7A)
None
None
None
 0.84A 3s45A-4nkyA:
undetectable		 3s45A-4nkyA:
13.28
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.
4ose PUTATIVE HYDROLASE

(Rickettsia
typhi) 		PF00561
(Abhydrolase_1) 		5 ALA A 122
ILE A 234
GLY A 115
ILE A 116
ILE A 230
 None
 0.90A 3s45A-4oseA:
undetectable		 3s45A-4oseA:
16.54
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.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 ALA A 393
ASP A 389
GLY A 279
ILE A 509
ILE A 307
 None
BMA  A 607 ( 2.9A)
None
None
None
 0.92A 3s45A-4pfwA:
undetectable		 3s45A-4pfwA:
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.
4phb UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF14262
(Cthe_2159) 		5 ASP A 209
ILE A 208
GLY A 194
ILE A 157
ILE A 186
 None
 0.78A 3s45A-4phbA:
undetectable		 3s45A-4phbA:
16.78
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.
4rml LATROPHILIN-3

(Mus musculus) 		PF02191
(OLF) 		5 ALA A 334
GLY A 386
ILE A 387
ILE A 353
ILE A 343
 None
 0.85A 3s45A-4rmlA:
undetectable		 3s45A-4rmlA:
17.87
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.
4uz1 NOTUM

(Homo sapiens) 		PF03283
(PAE) 		5 ALA A 229
ILE A 393
GLY A 126
ILE A 391
ILE A 392
 None
 0.97A 3s45A-4uz1A:
undetectable		 3s45A-4uz1A:
14.97
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.
4uz1 NOTUM

(Homo sapiens) 		PF03283
(PAE) 		5 ALA A 229
ILE A 393
GLY A 234
ILE A 391
ILE A 392
 None
 1.01A 3s45A-4uz1A:
undetectable		 3s45A-4uz1A:
14.97
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.
4wbh PROTEIN NOTUM
HOMOLOG

(Homo sapiens) 		PF03283
(PAE) 		5 ALA A 229
ILE A 393
GLY A 126
ILE A 391
ILE A 392
 None
 1.00A 3s45A-4wbhA:
undetectable		 3s45A-4wbhA:
12.14
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.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		5 ILE A 408
GLY A  37
ILE A  42
ILE A  28
ILE A  33
 None
 1.02A 3s45A-4wgxA:
undetectable		 3s45A-4wgxA:
12.64
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		5 ILE A 351
GLY A 271
ILE A 274
ILE A 292
ILE A 339
 None
 0.90A 3s45A-5a22A:
undetectable		 3s45A-5a22A:
4.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  30
ILE A  32
PRO A  81
ILE A  84
 None
 0.60A 3s45A-5b18A:
17.9		 3s45A-5b18A:
47.47
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.
5cmn LATROPHILIN-3

(Homo sapiens) 		PF02191
(OLF) 		5 ALA E 266
GLY E 318
ILE E 319
ILE E 285
ILE E 275
 None
 0.80A 3s45A-5cmnE:
undetectable		 3s45A-5cmnE:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cuo PHOSPHATE
PROPANOYLTRANSFERASE

(Rhodopseudomonas
palustris) 		PF06130
(PTAC) 		5 ASP A  55
ILE A 138
GLY A 150
ILE A 152
ILE A  49
 None
 1.02A 3s45A-5cuoA:
2.4		 3s45A-5cuoA:
16.34
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.
5da8 60 KDA CHAPERONIN

(Chlorobaculum
tepidum) 		PF00118
(Cpn60_TCP1) 		5 ALA A 218
ILE A 332
ILE A 249
ILE A 325
ILE A 323
 None
 0.94A 3s45A-5da8A:
undetectable		 3s45A-5da8A:
12.47
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.
5dlj CRISPR-ASSOCIATED
ENDONUCLEASE CAS1

(Escherichia
coli) 		no annotation 5 ASP D 221
GLY D 205
ILE D 204
ILE D 268
ILE D 219
 None
 1.02A 3s45A-5dljD:
undetectable		 3s45A-5dljD:
15.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		5 ALA A 296
GLY A 334
ILE A 337
ILE A 362
ILE A 298
 None
 1.01A 3s45A-5dztA:
undetectable		 3s45A-5dztA:
7.54
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.
5e24 SUPPRESSOR OF
HAIRLESS PROTEIN

(Drosophila
melanogaster) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		5 ILE E 147
GLY E 178
ILE E 179
PRO E 145
ILE E 124
 None
 0.98A 3s45A-5e24E:
undetectable		 3s45A-5e24E:
14.20
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.
5f42 ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Francisella
tularensis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ALA A  60
ILE A  93
ILE A  86
ILE A  50
ILE A  62
 None
 0.97A 3s45A-5f42A:
undetectable		 3s45A-5f42A:
17.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ftt ADHESION G
PROTEIN-COUPLED
RECEPTOR L3

(Mus musculus) 		PF02140
(Gal_Lectin)
PF02191
(OLF) 		5 ALA C 334
GLY C 386
ILE C 387
ILE C 353
ILE C 343
 None
 0.94A 3s45A-5fttC:
undetectable		 3s45A-5fttC:
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.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 6 ALA A 342
ASP A 341
GLY A 250
ILE A 234
ILE A 330
ILE A 343
 None
NAG  A 704 ( 4.2A)
None
None
None
None
 1.29A 3s45A-5gqfA:
undetectable		 3s45A-5gqfA:
11.68
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.
5h1c DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 ALA A 224
GLY A 288
ILE A 291
ILE A 122
ILE A 265
 None
 0.85A 3s45A-5h1cA:
undetectable		 3s45A-5h1cA:
17.65
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.
5j6c PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		5 ALA A  37
ILE A  33
ILE A  52
ILE A 152
ILE A 105
 None
 1.02A 3s45A-5j6cA:
undetectable		 3s45A-5j6cA:
18.57
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.
5jxx ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Moraxella
catarrhalis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 ALA A  13
ILE A  33
ILE A   8
ILE A   3
ILE A  15
 None
 1.00A 3s45A-5jxxA:
undetectable		 3s45A-5jxxA:
15.14
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.
5l22 ABC TRANSPORTER
(HLYB SUBFAMILY)

(Aquifex
aeolicus) 		no annotation 5 ASP B 493
ILE B 491
ILE B 352
ILE B 356
ILE B 522
 MG  B 602 ( 4.8A)
None
None
None
None
 1.03A 3s45A-5l22B:
undetectable		 3s45A-5l22B:
10.63
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.
5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		5 ASP b 274
GLY b 467
ILE b 470
PRO b 290
ILE b 285
 ADP  b 801 (-3.5A)
None
None
None
None
 0.97A 3s45A-5l9wb:
undetectable		 3s45A-5l9wb:
11.48
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.
5okz EXOSOME COMPLEX
COMPONENT RRP4

(Saccharomyces
cerevisiae) 		PF14382
(ECR1_N)
PF15985
(KH_6) 		5 ALA H 308
GLY H 345
ILE H 344
ILE H 319
ILE H 314
 None
 1.04A 3s45A-5okzH:
undetectable		 3s45A-5okzH:
15.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.41A 3s45A-5t2zA:
19.0		 3s45A-5t2zA:
49.49
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.
5t5i TUNGSTEN-CONTAINING
FORMYLMETHANOFURAN
DEHYDROGENASE 2
SUBUNIT C

(Methanothermobacter
wolfeii) 		PF01493
(GXGXG) 		5 ALA C 158
ILE C 192
GLY C 163
ILE C 172
ILE C 173
 None
 0.98A 3s45A-5t5iC:
undetectable		 3s45A-5t5iC:
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 550
ILE A 574
GLY A 533
ILE A 522
ILE A 560
 None
 0.90A 3s45A-5u25A:
undetectable		 3s45A-5u25A:
10.57
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 ALA A 675
ILE A 524
GLY A 668
ILE A 690
ILE A 701
 None
 0.95A 3s45A-6ekvA:
undetectable		 3s45A-6ekvA:
9.46
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.
6eoj POLYADENYLATION
FACTOR SUBUNIT
2,POLYADENYLATION
FACTOR SUBUNIT 2

(Saccharomyces
cerevisiae) 		no annotation 5 ALA D 175
ILE D 180
ILE D 203
ILE D 151
ILE D 159
 None
 0.95A 3s45A-6eojD:
undetectable		 3s45A-6eojD:
12.21
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.
6gne -

(-) 		no annotation 5 ASP A 442
GLY A 465
PRO A 408
ILE A 406
ILE A 429
 None
 0.99A 3s45A-6gneA:
undetectable		 3s45A-6gneA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
ILE A  32
GLY A  49
PRO A  81
ILE A  82
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
NIU  A 100 (-4.6A)
None
 0.67A 3s45A-6upjA:
19.0		 3s45A-6upjA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  82
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 (-4.6A)
None
 0.98A 3s45A-6upjA:
19.0		 3s45A-6upjA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  82
ILE A  84
 NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
NIU  A 100 (-4.6A)
None
 0.87A 3s45A-6upjA:
19.0		 3s45A-6upjA:
98.99