SIMILAR PATTERNS OF AMINO ACIDS FOR 3EL5_B_1UNB201_2

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.
1c2y PROTEIN (LUMAZINE
SYNTHASE)

(Spinacia
oleracea) 		PF00885
(DMRL_synthase) 		6 ALA A  17
ASP A  49
VAL A  51
GLY A  67
THR A  62
VAL A  19
 None
 1.24A 3el5B-1c2yA:
undetectable		 3el5B-1c2yA:
20.78
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.
1cp2 NITROGENASE IRON
PROTEIN

(Clostridium
pasteurianum) 		PF00142
(Fer4_NifH) 		6 ASP A  38
ALA A  41
ASP A  42
GLY A  13
ILE A  12
THR A  18
 None
 1.18A 3el5B-1cp2A:
undetectable		 3el5B-1cp2A:
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.
1cp9 PENICILLIN G AMIDASE

(Providencia
rettgeri) 		PF01804
(Penicil_amidase) 		6 ASP B 484
VAL B 499
GLY B 480
THR B  32
PRO B  49
THR B  48
 None
 1.41A 3el5B-1cp9B:
undetectable		 3el5B-1cp9B:
10.26
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.
1e3e ALCOHOL
DEHYDROGENASE, CLASS
II

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 177
VAL A 156
GLY A  71
THR A 154
VAL A 147
 None
 0.91A 3el5B-1e3eA:
undetectable		 3el5B-1e3eA:
13.03
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.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		6 GLY A   8
ALA A  46
ASP A  45
VAL A 428
THR A 430
VAL A 394
 None
 1.32A 3el5B-1gkpA:
undetectable		 3el5B-1gkpA:
12.66
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.
1gmm CBM6

(Ruminiclostridium
thermocellum) 		PF03422
(CBM_6) 		6 GLY A  62
ALA A  63
ASP A  64
GLY A 117
ILE A  35
THR A  85
 None
None
None
None
NA  A1131 (-4.1A)
None
 1.47A 3el5B-1gmmA:
undetectable		 3el5B-1gmmA:
19.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
THR A  80
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
None
 0.92A 3el5B-1hvcA:
14.5		 3el5B-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
THR A  80
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
None
A79  A 800 ( 3.4A)
 0.84A 3el5B-1hvcA:
14.5		 3el5B-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
None
A79  A 800 ( 3.9A)
 0.52A 3el5B-1hvcA:
14.5		 3el5B-1hvcA:
46.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
None
A79  A 800 ( 3.4A)
 0.44A 3el5B-1hvcA:
14.5		 3el5B-1hvcA:
46.80
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		6 ASP B 484
VAL B 503
GLY B 480
THR B  32
PRO B  49
THR B  48
 None
 1.46A 3el5B-1k5sB:
undetectable		 3el5B-1k5sB:
9.87
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.
1ox3 FIBRITIN

(Escherichia
virus T4) 		PF07921
(Fibritin_C) 		5 ALA A  34
ASP A  35
ILE A  31
PRO A  47
THR A  48
 None
 0.86A 3el5B-1ox3A:
undetectable		 3el5B-1ox3A:
24.14
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.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 ALA A1156
ASP A1154
VAL A1036
ILE A1090
THR A1150
VAL A1152
 None
 1.20A 3el5B-1p0cA:
undetectable		 3el5B-1p0cA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1php 3-PHOSPHOGLYCERATE
KINASE

(Geobacillus
stearothermophilus) 		PF00162
(PGK) 		5 ASP A 294
GLY A 330
VAL A 280
THR A 278
VAL A 267
 None
 0.93A 3el5B-1phpA:
undetectable		 3el5B-1phpA:
17.18
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  80
PRO A  81
 None
 0.71A 3el5B-1q9pA:
10.3		 3el5B-1q9pA:
91.58
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.
1qwj CYTIDINE
MONOPHOSPHO-N-ACETYL
NEURAMINIC ACID
SYNTHETASE

(Mus musculus) 		PF02348
(CTP_transf_3) 		6 GLY A 103
ALA A 104
VAL A  47
GLY A  71
THR A  90
VAL A  88
 None
 1.23A 3el5B-1qwjA:
undetectable		 3el5B-1qwjA:
17.04
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
 0.56A 3el5B-1sivA:
18.4		 3el5B-1sivA:
49.49
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) 		6 GLY A  27
ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
 None
 0.93A 3el5B-1sivA:
18.4		 3el5B-1sivA:
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.
1v5j KIAA1355 PROTEIN

(Homo sapiens) 		PF00041
(fn3) 		5 GLY A  85
ALA A  84
VAL A  33
GLY A  60
PRO A  11
 None
 0.93A 3el5B-1v5jA:
undetectable		 3el5B-1v5jA:
23.28
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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		6 GLY A 221
VAL A 188
GLY A 252
ILE A 253
THR A 159
VAL A 157
 None
 1.27A 3el5B-1w5eA:
undetectable		 3el5B-1w5eA:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w8j MYOSIN VA

(Gallus gallus) 		PF00063
(Myosin_head) 		5 GLY A 236
ALA A 237
GLY A 434
ILE A 433
VAL A 196
 None
 0.89A 3el5B-1w8jA:
undetectable		 3el5B-1w8jA:
9.48
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.
1x0l HOMOISOCITRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00180
(Iso_dh) 		6 ALA A 190
ASP A 192
VAL A 196
GLY A 151
ILE A 150
VAL A 198
 None
 1.47A 3el5B-1x0lA:
undetectable		 3el5B-1x0lA:
18.04
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.
1ytq BETA CRYSTALLIN B2

(Homo sapiens) 		PF00030
(Crystall) 		5 ASP A 125
ASP A 126
VAL A 128
ILE A 109
VAL A 186
 None
 0.79A 3el5B-1ytqA:
undetectable		 3el5B-1ytqA:
18.32
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.
1zxq INTERCELLULAR
ADHESION MOLECULE-2

(Homo sapiens) 		PF03921
(ICAM_N) 		5 GLY A 103
ALA A 155
ASP A 156
ASP A 159
VAL A 100
 None
 0.87A 3el5B-1zxqA:
undetectable		 3el5B-1zxqA:
21.11
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.
2azp HYPOTHETICAL PROTEIN
PA1268

(Pseudomonas
aeruginosa) 		PF05544
(Pro_racemase) 		6 GLY A  91
VAL A 119
GLY A 161
PRO A 286
THR A 287
VAL A 131
 None
 1.35A 3el5B-2azpA:
undetectable		 3el5B-2azpA:
16.77
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.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		5 GLY A 236
ALA A 237
GLY A 434
ILE A 433
VAL A 196
 None
 0.87A 3el5B-2dfsA:
undetectable		 3el5B-2dfsA:
7.03
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.
2dpm PROTEIN
(ADENINE-SPECIFIC
METHYLTRANSFERASE
DPNII 1)

(Streptococcus
pneumoniae) 		PF02086
(MethyltransfD12) 		5 GLY A 233
ALA A 234
ASP A 189
VAL A 191
VAL A 236
 None
 0.85A 3el5B-2dpmA:
undetectable		 3el5B-2dpmA:
18.02
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  54
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.6A)
 0.90A 3el5B-2fmbA:
14.9		 3el5B-2fmbA:
31.73
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  55
PRO A  86
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.45A 3el5B-2fmbA:
14.9		 3el5B-2fmbA:
31.73
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.
2fz1 COAT PROTEIN

(Turnip yellow
mosaic virus) 		PF00983
(Tymo_coat) 		5 GLY A 112
VAL A  76
GLY A  92
ILE A 115
VAL A 130
 None
 0.86A 3el5B-2fz1A:
undetectable		 3el5B-2fz1A:
21.28
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.
2gqw FERREDOXIN REDUCTASE

(Pseudomonas sp.
KKS102) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 GLY A 121
ALA A 122
VAL A 231
THR A 128
VAL A 126
 None
FMT  A2002 (-3.7A)
None
GOL  A1001 (-4.3A)
None
 0.93A 3el5B-2gqwA:
undetectable		 3el5B-2gqwA:
11.41
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.
2ibl FIBRITIN

(Enterobacteria
phage Ox2;
Escherichia
virus T4) 		PF07921
(Fibritin_C) 		5 ALA A  34
ASP A  35
ILE A  31
PRO A  47
THR A  48
 None
 0.85A 3el5B-2iblA:
undetectable		 3el5B-2iblA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.80A 3el5B-2isqA:
undetectable		 3el5B-2isqA:
17.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1

(Homo sapiens) 		PF00171
(Aldedh) 		5 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.77A 3el5B-2j6lA:
undetectable		 3el5B-2j6lA:
11.84
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.
2jex REGULATORY PROTEIN
E2

(Deltapapillomavirus
4) 		PF00508
(PPV_E2_N) 		5 GLY A 151
ALA A 152
ASP A 153
VAL A 119
VAL A 117
 None
 0.85A 3el5B-2jexA:
undetectable		 3el5B-2jexA:
15.09
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.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii) 		PF00171
(Aldedh) 		5 GLY A 229
VAL A 257
GLY A 160
ILE A 161
VAL A 253
 NAD  A1510 (-3.4A)
None
None
None
None
 0.75A 3el5B-2jg7A:
undetectable		 3el5B-2jg7A:
13.15
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.
2jqv AIG2 PROTEIN-LIKE

(Arabidopsis
thaliana) 		PF06094
(GGACT) 		5 GLY A  64
ALA A  36
VAL A 102
ILE A  67
VAL A  93
 None
 0.90A 3el5B-2jqvA:
undetectable		 3el5B-2jqvA:
18.29
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.
2mgv BIFUNCTIONAL
MEMBRANE-ASSOCIATED
PENICILLIN-BINDING
PROTEIN 1A/1B PONA2

(Mycobacterium
tuberculosis) 		PF03793
(PASTA) 		6 ALA A  14
ASP A  13
ASP A  11
VAL A  42
THR A  45
VAL A   7
 None
 1.23A 3el5B-2mgvA:
undetectable		 3el5B-2mgvA:
20.20
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.
2mgv BIFUNCTIONAL
MEMBRANE-ASSOCIATED
PENICILLIN-BINDING
PROTEIN 1A/1B PONA2

(Mycobacterium
tuberculosis) 		PF03793
(PASTA) 		5 ASP A  13
VAL A  42
THR A  45
PRO A  47
VAL A   7
 None
 0.92A 3el5B-2mgvA:
undetectable		 3el5B-2mgvA:
20.20
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.
2pyt ETHANOLAMINE
UTILIZATION PROTEIN
EUTQ

(Salmonella
enterica) 		PF06249
(EutQ) 		5 ALA A 195
VAL A 215
THR A 211
PRO A 212
THR A 213
 None
 0.79A 3el5B-2pytA:
undetectable		 3el5B-2pytA:
22.06
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.
2qr7 RIBOSOMAL PROTEIN S6
KINASE ALPHA-3

(Mus musculus) 		PF00069
(Pkinase) 		6 GLY A 594
ALA A 597
ASP A 596
ASP A 600
VAL A 527
GLY A 534
 None
 1.46A 3el5B-2qr7A:
undetectable		 3el5B-2qr7A:
14.91
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.
2qym PHOSPHODIESTERASE 4C

(Homo sapiens) 		PF00233
(PDEase_I) 		5 GLY A 225
ASP A 220
PRO A 301
THR A 300
VAL A 296
 None
 0.72A 3el5B-2qymA:
undetectable		 3el5B-2qymA:
14.89
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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
None
AB1  A 501 (-4.2A)
 0.92A 3el5B-2rkfA:
20.6		 3el5B-2rkfA:
82.83
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
ILE A  50
PRO A  81
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 1.44A 3el5B-2rkfA:
20.6		 3el5B-2rkfA:
82.83
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
PRO A  81
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
None
AB1  A 501 (-4.2A)
 0.42A 3el5B-2rkfA:
20.6		 3el5B-2rkfA:
82.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2uuu ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE

(Dictyostelium
discoideum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 GLY A 277
VAL A 153
ILE A 297
PRO A 169
VAL A 157
 None
None
None
FAD  A1587 (-3.7A)
None
 0.79A 3el5B-2uuuA:
undetectable		 3el5B-2uuuA:
11.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yzh PROBABLE THIOL
PEROXIDASE

(Aquifex
aeolicus) 		PF08534
(Redoxin) 		6 ASP A 113
ASP A 108
VAL A  83
GLY A  41
THR A  81
THR A 104
 None
 1.36A 3el5B-2yzhA:
undetectable		 3el5B-2yzhA:
23.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cos ALCOHOL
DEHYDROGENASE 4

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 ALA A 170
ASP A 169
ASP A 167
ILE A  74
PRO A  93
VAL A 175
 None
 1.23A 3el5B-3cosA:
undetectable		 3el5B-3cosA:
12.34
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.
3dmy PROTEIN FDRA

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 GLY A 475
ALA A 474
ILE A 468
PRO A 427
VAL A 432
 None
 0.79A 3el5B-3dmyA:
undetectable		 3el5B-3dmyA:
11.04
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.
3g7n LIPASE

(Penicillium
expansum) 		PF01764
(Lipase_3) 		6 GLY A  50
ALA A  59
VAL A 129
GLY A  47
ILE A  38
THR A 138
 None
 1.35A 3el5B-3g7nA:
undetectable		 3el5B-3g7nA:
17.53
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.83A 3el5B-3i5gA:
undetectable		 3el5B-3i5gA:
8.12
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  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.39A 3el5B-3mwsA:
19.3		 3el5B-3mwsA:
74.75
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  80
PRO A  81
 None
 0.57A 3el5B-3mwsA:
19.3		 3el5B-3mwsA:
74.75
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
 0.52A 3el5B-3mwsA:
19.3		 3el5B-3mwsA:
74.75
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) 		8 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
THR A  80
PRO A  81
 None
 0.90A 3el5B-3mwsA:
19.3		 3el5B-3mwsA:
74.75
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.
3nec INFLAMMATORY
PROFILIN

(Toxoplasma
gondii) 		PF00235
(Profilin) 		5 GLY A  41
ALA A  35
ASP A   5
ILE A 133
VAL A  13
 None
 0.92A 3el5B-3necA:
undetectable		 3el5B-3necA:
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.
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
 None
None
None
None
BEF  A 402 (-3.2A)
 0.78A 3el5B-3nnnA:
undetectable		 3el5B-3nnnA:
17.46
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.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
 None
None
None
None
BEF  A 402 (-3.6A)
 0.71A 3el5B-3nnsA:
undetectable		 3el5B-3nnsA:
22.13
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.
3oec CARVEOL
DEHYDROGENASE
(MYTHA.01326.C,
A0R518 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF13561
(adh_short_C2) 		5 GLY A 147
ALA A 148
GLY A 122
ILE A 123
VAL A 193
 None
 0.92A 3el5B-3oecA:
undetectable		 3el5B-3oecA:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3on2 PROBABLE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N)
PF13305
(WHG) 		6 GLY A 119
ALA A 120
ASP A  61
VAL A 124
GLY A 113
VAL A 125
 None
 1.27A 3el5B-3on2A:
undetectable		 3el5B-3on2A:
16.16
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.65A 3el5B-3slzA:
11.2		 3el5B-3slzA:
26.67
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.52A 3el5B-3slzA:
11.2		 3el5B-3slzA:
26.67
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) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
VAL A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
None
None
 0.62A 3el5B-3t3cA:
18.7		 3el5B-3t3cA:
77.78
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
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 1.45A 3el5B-3ttpA:
19.2		 3el5B-3ttpA:
77.78
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
 0.53A 3el5B-3ttpA:
19.2		 3el5B-3ttpA:
77.78
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) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
PRO A  81
VAL A  84
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
None
017  A 202 (-4.0A)
None
 0.36A 3el5B-3u7sA:
19.5		 3el5B-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
THR A  80
PRO A  81
VAL A  84
 None
 0.59A 3el5B-3uhlA:
15.6		 3el5B-3uhlA:
79.80
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.
3x0v L-LYSINE OXIDASE

(Trichoderma
viride) 		PF01593
(Amino_oxidase) 		5 GLY A 437
ALA A 438
GLY A  65
ILE A  64
THR A 370
 None
FAD  A 601 (-3.7A)
FAD  A 601 (-4.1A)
None
None
 0.90A 3el5B-3x0vA:
undetectable		 3el5B-3x0vA:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4crn ERF3 IN RIBOSOME
BOUND
ERF1-ERF3-GDPNP
COMPLEX

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY P 255
ALA P 544
GLY P 511
PRO P 492
VAL P 550
 None
 0.91A 3el5B-4crnP:
undetectable		 3el5B-4crnP:
14.69
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.
4hxq ARGINASE-1

(Homo sapiens) 		PF00491
(Arginase) 		5 ASP A 274
VAL A 233
GLY A  99
THR A 244
THR A 246
 None
None
None
None
X8A  A 901 (-3.5A)
 0.88A 3el5B-4hxqA:
undetectable		 3el5B-4hxqA:
18.84
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.
4iu4 ARGINASE

(Leishmania
mexicana) 		PF00491
(Arginase) 		5 ASP A 285
VAL A 244
GLY A 112
THR A 255
THR A 257
 None
None
None
None
S2C  A 405 (-3.4A)
 0.89A 3el5B-4iu4A:
undetectable		 3el5B-4iu4A:
16.46
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.
4iv5 ASPARTATE
CARBAMOYLTRANSFERASE
, PUTATIVE

(Trypanosoma
cruzi) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A  51
VAL A 109
ILE A  74
PRO A  56
THR A  55
 None
 0.87A 3el5B-4iv5A:
undetectable		 3el5B-4iv5A:
15.51
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  34
ALA A  90
GLY A 294
ILE A 295
THR A  68
 None
 0.89A 3el5B-4kwsA:
undetectable		 3el5B-4kwsA:
13.12
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  80
PRO A  81
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.47A 3el5B-4njvA:
20.1		 3el5B-4njvA:
86.87
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) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
THR A  82
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-3.5A)
 0.41A 3el5B-4njvA:
20.1		 3el5B-4njvA:
86.87
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) 		8 GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
THR A  80
PRO A  81
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.83A 3el5B-4njvA:
20.1		 3el5B-4njvA:
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.
4p2f ADENYLATE CYCLASE

(Mycobacterium
tuberculosis) 		PF00211
(Guanylate_cyc) 		6 GLY A 355
ALA A 354
ASP A 365
VAL A 305
GLY A 368
VAL A 308
 EDO  A 507 (-3.4A)
EDO  A 507 (-4.2A)
EDO  A 515 (-2.9A)
None
None
EDO  A 502 (-4.8A)
 1.50A 3el5B-4p2fA:
undetectable		 3el5B-4p2fA:
13.87
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ASP A 345
GLY A 350
ASP A 290
VAL A 343
GLY A 371
 None
 0.88A 3el5B-4tqkA:
undetectable		 3el5B-4tqkA:
14.52
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.
4xib E3 UBIQUITIN-PROTEIN
LIGASE MIB1

(Homo sapiens) 		PF00569
(ZZ)
PF06701
(MIB_HERC2) 		5 GLY A  15
ALA A  16
ILE A  94
THR A 129
PRO A 130
 None
 0.94A 3el5B-4xibA:
undetectable		 3el5B-4xibA:
13.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
GLY A  58
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
 0.67A 3el5B-4ydfA:
12.9		 3el5B-4ydfA:
30.77
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.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		5 GLY A 263
ALA A 264
ASP A 265
ILE A 230
THR A 249
 None
 0.81A 3el5B-4zr8A:
undetectable		 3el5B-4zr8A:
15.41
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) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 None
 1.12A 3el5B-5b18A:
17.6		 3el5B-5b18A:
75.76
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) 		6 GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 None
 0.68A 3el5B-5b18A:
17.6		 3el5B-5b18A:
75.76
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 GLY A 317
ALA A 316
GLY A 244
ILE A 334
VAL A 312
 None
 0.93A 3el5B-5fg3A:
undetectable		 3el5B-5fg3A:
11.46
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.
5i7k BPI FOLD-CONTAINING
FAMILY A MEMBER 1

(Homo sapiens) 		PF01273
(LBP_BPI_CETP) 		5 ASP A 158
VAL A 219
GLY A 136
THR A  67
VAL A 223
 None
 0.92A 3el5B-5i7kA:
undetectable		 3el5B-5i7kA:
21.49
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.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		6 GLY A  70
ALA A  71
VAL A 395
GLY A 430
ILE A 426
VAL A  12
 None
 1.16A 3el5B-5idiA:
undetectable		 3el5B-5idiA:
12.30
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.
5ijl DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
abyssi) 		PF03833
(PolC_DP2) 		5 GLY A 880
ALA A 879
GLY A 941
ILE A 874
VAL A 962
 None
 0.90A 3el5B-5ijlA:
undetectable		 3el5B-5ijlA:
7.63
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.
5khl HEMIN ABC
TRANSPORTER,
PERIPLASMIC
HEMIN-BINDING
PROTEIN HUTB

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		5 GLY B 243
ALA B 242
ASP B 212
ILE B 207
VAL B 214
 None
 0.93A 3el5B-5khlB:
undetectable		 3el5B-5khlB:
17.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		5 GLY A 194
ASP A 192
VAL A 187
THR A  51
PRO A  52
 None
 0.92A 3el5B-5lgcA:
undetectable		 3el5B-5lgcA:
18.40
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.
5mu5 UNCHARACTERIZED
PROTEIN

(Magnetospirillum
magneticum) 		no annotation 5 ASP A  48
GLY A  58
ASP A  44
ILE A  65
THR A 163
 None
 0.93A 3el5B-5mu5A:
undetectable		 3el5B-5mu5A:
10.97
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.
5o5l ADENYLATE CYCLASE

(Mycobacterium
intracellulare) 		no annotation 6 GLY A 355
ALA A 354
ASP A 365
VAL A 305
GLY A 368
VAL A 308
 None
 1.43A 3el5B-5o5lA:
undetectable		 3el5B-5o5lA:
14.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o98 ALCOHOL
DEHYDROGENASE 1

(Catharanthus
roseus) 		no annotation 6 GLY A  96
ALA A  95
VAL A  13
GLY A  19
THR A  24
PRO A 274
 NAP  A 501 (-3.8A)
NAP  A 501 (-3.4A)
None
NAP  A 501 (-3.4A)
None
None
 1.48A 3el5B-5o98A:
undetectable		 3el5B-5o98A:
19.05
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) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
 0.49A 3el5B-5t2zA:
19.7		 3el5B-5t2zA:
78.79
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 361
ALA A 362
ASP A 365
VAL A 432
THR A 427
 None
 0.92A 3el5B-5xapA:
undetectable		 3el5B-5xapA:
9.14
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.
5xgz BETA-GLYCOSIDASE

(uncultured
microorganism) 		no annotation 5 GLY A  76
VAL A 402
GLY A 437
ILE A 433
VAL A  18
 None
 0.77A 3el5B-5xgzA:
undetectable		 3el5B-5xgzA:
18.75
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.
5yhh UNCHARACTERIZED
CONSERVED PROTEIN
YIIM

(Geobacillus
stearothermophilus) 		no annotation 5 GLY A 106
ALA A 108
VAL A 147
ILE A   6
VAL A 110
 None
 0.89A 3el5B-5yhhA:
undetectable		 3el5B-5yhhA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c7s PUTATIVE RIFAMPIN
MONOOXYGENASE

(Nocardia
farcinica) 		no annotation 5 GLY A 242
ALA A 241
VAL A 192
THR A 187
VAL A 191
 None
 0.79A 3el5B-6c7sA:
undetectable		 3el5B-6c7sA:
22.45
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.22A 3el5B-6fivA:
15.0		 3el5B-6fivA:
29.57
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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 NIU  A 100 (-3.6A)
None
None
None
None
None
 0.93A 3el5B-6upjA:
17.6		 3el5B-6upjA:
48.48
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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.65A 3el5B-6upjA:
17.6		 3el5B-6upjA:
48.48