SIMILAR PATTERNS OF AMINO ACIDS FOR 3NU5_B_478B401

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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 LEU A 157
ALA A 138
ILE A 269
GLY A 455
VAL A 452
ILE A 150
 None
 1.37A 3nu5A-1bhyA:
undetectable		 3nu5A-1bhyA:
12.01
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.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		6 LEU B 133
ILE B 277
GLY B   7
VAL B 187
PRO B  51
ILE B 136
 None
 1.20A 3nu5A-1bouB:
0.0		 3nu5A-1bouB:
14.62
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.
1cyq INTRON-ENCODED
HOMING ENDONUCLEASE
I-PPOI

(Physarum
polycephalum) 		no annotation 5 GLY A  20
ILE A  44
GLY A  51
VAL A  52
VAL A  80
 None
 0.88A 3nu5A-1cyqA:
0.0		 3nu5A-1cyqA:
20.62
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.87A 3nu5A-1cziE:
6.8		 3nu5A-1cziE:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.73A 3nu5A-1cziE:
6.8		 3nu5A-1cziE:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g0v PROTEASE A INHIBITOR
3
PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp)
PF10466
(Inhibitor_I34) 		5 ASP A  32
GLY A  34
ILE A  73
GLY B  21
ILE A 120
 None
 0.88A 3nu5A-1g0vA:
7.3		 3nu5A-1g0vA:
16.14
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 LEU A 302
GLY A 294
ALA A 293
VAL A 254
VAL A 257
ILE A 301
 None
FAD  A 600 ( 3.8A)
FAD  A 600 (-3.6A)
FAD  A 600 (-4.0A)
None
None
 1.33A 3nu5A-1gpeA:
undetectable		 3nu5A-1gpeA:
10.00
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 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  50
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.6A)
 1.29A 3nu5A-1hvcA:
18.1		 3nu5A-1hvcA:
46.31
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 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  50
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.8A)
A79  A 800 (-3.8A)
 1.27A 3nu5A-1hvcA:
18.1		 3nu5A-1hvcA:
46.31
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 1.32A 3nu5A-1hvcA:
18.1		 3nu5A-1hvcA:
46.31
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 LEU A  23
ASP A  25
ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 1.07A 3nu5A-1hvcA:
18.1		 3nu5A-1hvcA:
46.31
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 LEU A  23
ASP A  25
ALA A  28
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.91A 3nu5A-1hvcA:
18.1		 3nu5A-1hvcA:
46.31
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.61A 3nu5A-1hvcA:
18.1		 3nu5A-1hvcA:
46.31
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.59A 3nu5A-1hvcA:
18.1		 3nu5A-1hvcA:
46.31
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.53A 3nu5A-1hvcA:
18.1		 3nu5A-1hvcA:
46.31
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.49A 3nu5A-1hvcA:
18.1		 3nu5A-1hvcA:
46.31
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) 		8 LEU A  23
ASP A  30
VAL A  32
ILE A  47
GLY A  51
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 1.22A 3nu5A-1hvcA:
18.1		 3nu5A-1hvcA:
46.31
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 LEU A  23
ASP A  30
VAL A  32
ILE A  47
GLY A  51
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
None
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 1.22A 3nu5A-1hvcA:
18.1		 3nu5A-1hvcA:
46.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kng THIOL:DISULFIDE
INTERCHANGE PROTEIN
CYCY

(Bradyrhizobium
japonicum) 		PF08534
(Redoxin) 		5 LEU A  57
ASP A 142
GLY A 145
GLY A 152
ILE A 116
 None
 0.87A 3nu5A-1kngA:
undetectable		 3nu5A-1kngA:
24.36
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  42
ILE A  64
GLY A 119
VAL A  36
ILE A  38
 None
 0.89A 3nu5A-1lluA:
undetectable		 3nu5A-1lluA:
15.93
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  76
ILE A 120
 None
 0.87A 3nu5A-1mppA:
7.3		 3nu5A-1mppA:
14.40
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.
1p4a PUR OPERON REPRESSOR

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF09182
(PuR_N) 		6 LEU A 152
GLY A 228
ALA A 227
PRO A 155
VAL A 154
ILE A 131
 None
 1.41A 3nu5A-1p4aA:
undetectable		 3nu5A-1p4aA:
18.01
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.82A 3nu5A-1q9pA:
9.9		 3nu5A-1q9pA:
98.95
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.
1qah PERCHLORIC ACID
SOLUBLE PROTEIN

(Rattus
norvegicus) 		PF01042
(Ribonuc_L-PSP) 		5 GLY A  69
ALA A  68
ILE A  64
GLY A  62
ILE A  30
 None
 0.86A 3nu5A-1qahA:
undetectable		 3nu5A-1qahA:
23.45
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 0.53A 3nu5A-1sivA:
18.5		 3nu5A-1sivA:
50.98
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 1.02A 3nu5A-1sivA:
18.5		 3nu5A-1sivA:
50.98
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
PRO A  81
ILE A  84
 None
 0.32A 3nu5A-1sivA:
18.5		 3nu5A-1sivA:
50.98
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.
1sr8 COBALAMIN
BIOSYNTHESIS PROTEIN
(CBID)

(Archaeoglobus
fulgidus) 		PF01888
(CbiD) 		5 GLY A 263
ALA A 262
ILE A 239
VAL A 281
ILE A 268
 None
 0.89A 3nu5A-1sr8A:
undetectable		 3nu5A-1sr8A:
14.05
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 LEU A 184
GLY A 188
ALA A 189
VAL A 127
ILE A 158
 None
 0.78A 3nu5A-1to3A:
undetectable		 3nu5A-1to3A:
18.22
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.
1uuo DIHYDROOROTATE
DEHYDROGENASE

(Rattus rattus) 		PF01180
(DHO_dh) 		6 LEU A 182
GLY A 203
ALA A 206
VAL A 118
VAL A 121
ILE A 180
 None
 1.35A 3nu5A-1uuoA:
undetectable		 3nu5A-1uuoA:
15.55
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.
1vjn ZN-DEPENDENT
HYDROLASE OF
METALLO-BETA-LACTAMA
SE SUPERFAMILY
TM0207

(Thermotoga
maritima) 		PF13483
(Lactamase_B_3) 		6 LEU A  13
VAL A  40
ILE A  63
GLY A  78
VAL A  96
ILE A  20
 None
 1.37A 3nu5A-1vjnA:
undetectable		 3nu5A-1vjnA:
20.87
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.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima) 		PF01430
(HSP33) 		5 GLY A 111
VAL A  73
ILE A  70
GLY A 106
ILE A  64
 None
 0.75A 3nu5A-1vq0A:
undetectable		 3nu5A-1vq0A:
17.23
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.
1vs3 TRNA PSEUDOURIDINE
SYNTHASE A

(Thermus
thermophilus) 		PF01416
(PseudoU_synth_1) 		6 LEU A 218
GLY A 231
ALA A 230
ASP A 226
VAL A 198
ILE A 221
 None
 1.42A 3nu5A-1vs3A:
undetectable		 3nu5A-1vs3A:
15.64
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		6 LEU A 252
GLY A  35
ALA A  36
PRO A 261
VAL A 260
ILE A 258
 None
 1.29A 3nu5A-1wacA:
undetectable		 3nu5A-1wacA:
10.08
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		6 GLY A 370
ASP A 321
GLY A 325
VAL A 326
VAL A 358
ILE A 343
 None
 1.03A 3nu5A-1yr2A:
undetectable		 3nu5A-1yr2A:
8.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zap SECRETED ASPARTIC
PROTEINASE

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  85
ILE A 123
 A70  A 500 ( 2.7A)
A70  A 500 (-3.8A)
None
A70  A 500 (-3.5A)
A70  A 500 (-4.8A)
 0.83A 3nu5A-1zapA:
7.7		 3nu5A-1zapA:
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.
2ayi AMINOPEPTIDASE T

(Thermus
thermophilus) 		PF02073
(Peptidase_M29) 		5 LEU A 305
GLY A 310
GLY A 287
VAL A 260
VAL A 292
 None
 0.82A 3nu5A-2ayiA:
undetectable		 3nu5A-2ayiA:
15.23
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.
2dw6 BLL6730 PROTEIN

(Bradyrhizobium
japonicum) 		PF13378
(MR_MLE_C) 		5 LEU A  73
VAL A  93
GLY A  49
VAL A  48
ILE A  72
 None
 0.84A 3nu5A-2dw6A:
undetectable		 3nu5A-2dw6A:
13.62
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.
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp. PCC 6803) 		PF02153
(PDH) 		5 GLY A  12
ALA A  13
GLY A  28
VAL A  29
ILE A 122
 None
 0.85A 3nu5A-2f1kA:
undetectable		 3nu5A-2f1kA:
17.52
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		6 ASP A 341
GLY A 342
ALA A 343
VAL A 156
GLY A 184
VAL A 183
 None
 1.31A 3nu5A-2f7lA:
undetectable		 3nu5A-2f7lA:
12.09
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.
2fja ADENYLYLSULFATE
REDUCTASE, SUBUNIT A

(Archaeoglobus
fulgidus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A  54
GLY A  36
ALA A  37
GLY A 438
ILE A  27
 None
None
None
FAD  A1000 (-3.5A)
None
 0.80A 3nu5A-2fjaA:
undetectable		 3nu5A-2fjaA:
10.49
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  54
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.84A 3nu5A-2fmbA:
14.9		 3nu5A-2fmbA:
34.91
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) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  53
GLY A  55
VAL A  56
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.7A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.50A 3nu5A-2fmbA:
14.9		 3nu5A-2fmbA:
34.91
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.
2hk7 SHIKIMATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		6 GLY A 146
ALA A 147
VAL A 183
ILE A 118
VAL A 128
ILE A 126
 None
 1.09A 3nu5A-2hk7A:
undetectable		 3nu5A-2hk7A:
17.41
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.
2i6j SULFOLOBUS
SOLFATARICUS PROTEIN
TYROSINE PHOSPHATASE

(Sulfolobus
solfataricus) 		PF00102
(Y_phosphatase) 		6 LEU A 113
VAL A 119
ILE A 123
GLY A 104
VAL A 146
ILE A 112
 None
 1.26A 3nu5A-2i6jA:
undetectable		 3nu5A-2i6jA:
23.13
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		6 LEU A 254
GLY A 221
ALA A 224
ILE A 305
VAL A 237
ILE A 233
 None
ADP  A1556 (-3.3A)
None
None
None
None
 1.38A 3nu5A-2ji9A:
undetectable		 3nu5A-2ji9A:
10.87
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.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		6 LEU A  28
GLY A  14
ALA A   9
VAL A  56
VAL A  54
ILE A  30
 None
 1.04A 3nu5A-2ph3A:
undetectable		 3nu5A-2ph3A:
16.67
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.89A 3nu5A-2q0lA:
undetectable		 3nu5A-2q0lA:
15.99
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.
2q50 GLYOXYLATE
REDUCTASE/HYDROXYPYR
UVATE REDUCTASE

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A  72
VAL A  63
ILE A  78
GLY A  54
ILE A  67
 None
 0.79A 3nu5A-2q50A:
undetectable		 3nu5A-2q50A:
16.67
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.
2qdl CHEMOTAXIS SIGNAL
TRANSDUCTION PROTEIN

(Caldanaerobacter
subterraneus) 		PF01584
(CheW) 		5 LEU A 144
GLY A  94
ALA A  93
VAL A  31
ILE A  88
 None
 0.88A 3nu5A-2qdlA:
undetectable		 3nu5A-2qdlA:
21.79
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 ASP A  32
GLY A  34
ASP A  37
GLY A  85
ILE A 123
 None
 0.81A 3nu5A-2qzwA:
7.7		 3nu5A-2qzwA:
14.54
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.
2r94 2-KETO-3-DEOXY-(6-PH
OSPHO-)GLUCONATE
ALDOLASE

(Thermoproteus
tenax) 		PF00701
(DHDPS) 		6 LEU A 225
ASP A 236
VAL A 232
ILE A 237
VAL A 202
ILE A 228
 None
 1.37A 3nu5A-2r94A:
undetectable		 3nu5A-2r94A:
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.
2rfz CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Melanocarpus
albomyces) 		PF00840
(Glyco_hydro_7) 		5 GLY A 164
ALA A 163
GLY A 185
VAL A 183
ILE A  71
 None
PCA  A   1 ( 3.6A)
PCA  A   1 ( 2.8A)
None
None
 0.85A 3nu5A-2rfzA:
undetectable		 3nu5A-2rfzA:
13.57
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus) 		PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		6 ASP B  85
VAL B  84
ILE B  50
GLY B  48
VAL B  47
ILE B 140
 None
 1.48A 3nu5A-2rhqB:
undetectable		 3nu5A-2rhqB:
8.87
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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.53A 3nu5A-2rkfA:
20.8		 3nu5A-2rkfA:
81.82
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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.43A 3nu5A-2rkfA:
20.8		 3nu5A-2rkfA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 0.33A 3nu5A-2rspA:
12.6		 3nu5A-2rspA:
32.80
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.
2v6b L-LACTATE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		6 LEU A 136
GLY A 251
ALA A  36
VAL A  26
VAL A  93
ILE A  95
 None
 1.28A 3nu5A-2v6bA:
undetectable		 3nu5A-2v6bA:
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.
2yb6 UBIQUITIN-CONJUGATIN
G ENZYME E2 B

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLY A  26
ALA A  38
VAL A  70
ILE A 109
ILE A  57
 None
 0.82A 3nu5A-2yb6A:
undetectable		 3nu5A-2yb6A:
19.75
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.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A 366
GLY A 259
VAL A 258
VAL A 362
ILE A 363
 None
 0.87A 3nu5A-3bn1A:
undetectable		 3nu5A-3bn1A:
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.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		6 LEU A 101
GLY A  95
ALA A  96
VAL A 106
ILE A 111
ILE A 100
 None
 1.09A 3nu5A-3d79A:
undetectable		 3nu5A-3d79A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		6 GLY A  32
ALA A  19
VAL A  48
ILE A   5
VAL A  29
ILE A  10
 None
 1.36A 3nu5A-3dc8A:
undetectable		 3nu5A-3dc8A:
11.57
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 LEU A  41
VAL A  21
ILE A 382
GLY A  51
ILE A   5
 None
 0.86A 3nu5A-3dc8A:
undetectable		 3nu5A-3dc8A:
11.57
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.
3e0x LIPASE-ESTERASE
RELATED PROTEIN

(Clostridium
acetobutylicum) 		PF12146
(Hydrolase_4) 		6 LEU A 181
GLY A  97
ALA A  99
VAL A 110
VAL A 211
ILE A 184
 None
 1.33A 3nu5A-3e0xA:
undetectable		 3nu5A-3e0xA:
19.67
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.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		6 LEU A 459
VAL A 384
GLY A 398
VAL A 400
VAL A 373
ILE A 433
 None
 1.25A 3nu5A-3e1sA:
undetectable		 3nu5A-3e1sA:
11.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		6 LEU A 295
GLY A 216
ALA A 215
PRO A 370
VAL A 294
ILE A 291
 None
 1.23A 3nu5A-3ecdA:
undetectable		 3nu5A-3ecdA:
14.67
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.
3eg4 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Brucella suis) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		6 LEU A 130
GLY A 144
ALA A 145
ILE A 185
VAL A 135
ILE A 147
 None
 1.26A 3nu5A-3eg4A:
undetectable		 3nu5A-3eg4A:
17.43
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.88A 3nu5A-3fbsA:
undetectable		 3nu5A-3fbsA:
17.06
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.
3fg2 PUTATIVE RUBREDOXIN
REDUCTASE

(Rhodopseudomonas
palustris) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		6 GLY P 196
ALA P 197
VAL P 168
GLY P 325
VAL P 170
ILE P 199
 None
None
None
GOL  P 500 (-3.3A)
None
None
 1.39A 3nu5A-3fg2P:
undetectable		 3nu5A-3fg2P:
14.36
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 166
ALA A 167
VAL A  99
GLY A 186
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.89A 3nu5A-3g7rA:
undetectable		 3nu5A-3g7rA:
17.29
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.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  43
ILE A  66
GLY A  97
VAL A  37
ILE A  39
 None
 0.82A 3nu5A-3gazA:
undetectable		 3nu5A-3gazA:
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 LEU A 256
GLY A 218
ILE A 116
GLY A 120
ILE A 190
 None
 0.79A 3nu5A-3gh8A:
undetectable		 3nu5A-3gh8A:
20.40
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A 137
ALA A 138
GLY A 112
VAL A 113
ILE A 182
 None
 0.87A 3nu5A-3gvcA:
undetectable		 3nu5A-3gvcA:
16.67
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.
3hh1 TETRAPYRROLE
METHYLASE FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  79
GLY A 111
ALA A 110
VAL A  75
ILE A  76
 None
 0.86A 3nu5A-3hh1A:
undetectable		 3nu5A-3hh1A:
24.00
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.
3i4o TRANSLATION
INITIATION FACTOR
IF-1

(Mycobacterium
tuberculosis) 		PF01176
(eIF-1a) 		6 LEU A  27
GLY A  66
ALA A  35
VAL A  14
ILE A  48
ILE A  25
 None
 1.04A 3nu5A-3i4oA:
undetectable		 3nu5A-3i4oA:
21.57
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.
3j7a 40S RIBOSOMAL
PROTEIN ES6

(Plasmodium
falciparum) 		PF01092
(Ribosomal_S6e) 		5 LEU H 111
GLY H  55
ILE H 101
GLY H 103
ILE H  52
 None
G  A 160 ( 3.9A)
None
None
None
 0.85A 3nu5A-3j7aH:
undetectable		 3nu5A-3j7aH:
16.19
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.
3jvd TRANSCRIPTIONAL
REGULATORS

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		5 LEU A 235
GLY A 265
GLY A 278
VAL A 275
VAL A 261
 None
 0.82A 3nu5A-3jvdA:
undetectable		 3nu5A-3jvdA:
16.17
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.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		5 LEU A 130
GLY A  73
ALA A  72
GLY A  80
ILE A 127
 None
 0.89A 3nu5A-3khzA:
undetectable		 3nu5A-3khzA:
10.99
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.
3kvo HYDROXYSTEROID
DEHYDROGENASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00106
(adh_short) 		6 GLY A 128
ASP A  74
VAL A  73
VAL A  99
VAL A  85
ILE A  81
 None
NAP  A 501 (-3.5A)
None
None
None
None
 1.43A 3nu5A-3kvoA:
undetectable		 3nu5A-3kvoA:
17.33
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.
3mt0 UNCHARACTERIZED
PROTEIN PA1789

(Pseudomonas
aeruginosa) 		PF00582
(Usp) 		5 LEU A  89
ALA A  24
GLY A  29
VAL A  30
ILE A   7
 None
 0.84A 3nu5A-3mt0A:
undetectable		 3nu5A-3mt0A:
16.84
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 LEU A  23
ASP A  25
ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 1.03A 3nu5A-3mwsA:
20.2		 3nu5A-3mwsA:
78.79
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) 		11 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.48A 3nu5A-3mwsA:
20.2		 3nu5A-3mwsA:
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.
3o59 DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
horikoshii) 		PF03833
(PolC_DP2) 		6 ASP X  49
ALA X  51
VAL X  71
ILE X 112
GLY X 116
VAL X 117
 None
 1.30A 3nu5A-3o59X:
undetectable		 3nu5A-3o59X:
17.09
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.
3o59 DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
horikoshii) 		PF03833
(PolC_DP2) 		6 ASP X  49
GLY X  52
ALA X  51
VAL X  71
ILE X 112
VAL X 117
 None
 1.26A 3nu5A-3o59X:
undetectable		 3nu5A-3o59X:
17.09
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.
3pdx TYROSINE
AMINOTRANSFERASE

(Mus musculus) 		PF00155
(Aminotran_1_2) 		5 LEU A 331
GLY A 325
ALA A 326
VAL A  93
ILE A 330
 None
 0.87A 3nu5A-3pdxA:
undetectable		 3nu5A-3pdxA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pz2 GERANYLGERANYL
TRANSFERASE TYPE-2
SUBUNIT BETA

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		5 LEU B 298
VAL B  56
ILE B  27
GLY B 276
ILE B 295
 None
 0.89A 3nu5A-3pz2B:
undetectable		 3nu5A-3pz2B:
14.94
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.
3qc5 PLATELET BINDING
PROTEIN GSPB

(Streptococcus
gordonii) 		no annotation 5 GLY X 390
ALA X 389
ASP X 258
VAL X 297
ILE X 264
 None
 0.77A 3nu5A-3qc5X:
undetectable		 3nu5A-3qc5X:
15.61
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.
3s2g ZINC-CONTAINING
ALCOHOL
DEHYDROGENASE
SUPERFAMILY

(Cupriavidus
pinatubonensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  40
ILE A  62
GLY A 117
VAL A  34
ILE A  36
 None
 0.87A 3nu5A-3s2gA:
undetectable		 3nu5A-3s2gA:
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.
3saj GLUTAMATE RECEPTOR 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		6 LEU A 289
GLY A 316
GLY A  63
VAL A  64
PRO A   4
ILE A 296
 None
 1.32A 3nu5A-3sajA:
undetectable		 3nu5A-3sajA:
15.16
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
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.67A 3nu5A-3slzA:
11.1		 3nu5A-3slzA:
25.95
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.38A 3nu5A-3slzA:
11.1		 3nu5A-3slzA:
25.95
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.83A 3nu5A-3t2yA:
undetectable		 3nu5A-3t2yA:
12.65
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) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
 0.60A 3nu5A-3t3cA:
18.5		 3nu5A-3t3cA:
73.74
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
None
 0.93A 3nu5A-3t3cA:
18.5		 3nu5A-3t3cA:
73.74
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.49A 3nu5A-3ttpA:
19.7		 3nu5A-3ttpA:
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.
3tw8 DENN
DOMAIN-CONTAINING
PROTEIN 1B
RAS-RELATED PROTEIN
RAB-35

(Homo sapiens) 		PF00071
(Ras)
PF02141
(DENN)
PF03455
(dDENN)
PF03456
(uDENN) 		6 GLY B  66
ALA B  65
ASP A  76
GLY B  18
VAL B  19
ILE B  38
 None
 1.32A 3nu5A-3tw8B:
undetectable		 3nu5A-3tw8B:
19.13
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-4.0A)
 0.60A 3nu5A-3u7sA:
19.9		 3nu5A-3u7sA:
75.76
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ILE A  47
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.59A 3nu5A-3u7sA:
19.9		 3nu5A-3u7sA:
75.76
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) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
PRO A  81
VAL A  82
 None
 0.52A 3nu5A-3uhlA:
16.0		 3nu5A-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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		6 LEU A 498
GLY A 433
ALA A 580
VAL A 516
VAL A 576
ILE A 430
 None
 1.33A 3nu5A-3ummA:
undetectable		 3nu5A-3ummA:
6.17
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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 LEU B 449
ALA B 413
GLY B 499
VAL B 498
ILE B 445
 None
 0.87A 3nu5B-1a6dB:
undetectable		 3nu5B-1a6dB:
11.79
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.
1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		5 GLY A  30
ALA A  31
ILE A  33
VAL A   3
ILE A  50
 None
 1.07A 3nu5B-1ao0A:
undetectable		 3nu5B-1ao0A:
15.88
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.
1c3r HDLP (HISTONE
DEACETYLASE-LIKE
PROTEIN)

(Aquifex
aeolicus) 		PF00850
(Hist_deacetyl) 		5 LEU A  23
GLY A 140
ILE A  88
GLY A  90
PRO A  18
 None
TSN  A 502 ( 3.9A)
None
None
None
 1.10A 3nu5B-1c3rA:
undetectable		 3nu5B-1c3rA:
14.25
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.72A 3nu5B-1cziE:
6.7		 3nu5B-1cziE:
17.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.54A 3nu5B-1cziE:
6.7		 3nu5B-1cziE:
17.07
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 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  50
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.6A)
 1.30A 3nu5B-1hvcA:
13.8		 3nu5B-1hvcA:
46.31
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) 		5 ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 0.68A 3nu5B-1hvcA:
13.8		 3nu5B-1hvcA:
46.31
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
 0.37A 3nu5B-1hvcA:
13.8		 3nu5B-1hvcA:
46.31
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 (-3.8A)
 0.45A 3nu5B-1hvcA:
13.8		 3nu5B-1hvcA:
46.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j89 HIGH AFFINITY
IMMUNOGLOBULIN
EPSILON RECEPTOR
ALPHA-SUBUNIT

(Homo sapiens) 		PF13895
(Ig_2)
PF13927
(Ig_3) 		5 ARG A 106
ASP A  62
ILE A  55
PRO A  11
ILE A  16
 NAG  A 335 (-4.1A)
None
None
None
None
 1.14A 3nu5B-1j89A:
undetectable		 3nu5B-1j89A:
20.34
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.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 223
ALA A 224
VAL A 407
GLY A 305
ILE A 229
 6FA  A 801 (-3.0A)
6FA  A 801 ( 4.9A)
None
6FA  A 801 (-3.5A)
None
 1.13A 3nu5B-1naaA:
undetectable		 3nu5B-1naaA:
11.45
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
 0.52A 3nu5B-1q9pA:
10.2		 3nu5B-1q9pA:
98.95
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
 None
 1.37A 3nu5B-1sivA:
18.4		 3nu5B-1sivA:
50.98
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 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 0.57A 3nu5B-1sivA:
18.4		 3nu5B-1sivA:
50.98
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.
1sp8 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Zea mays) 		PF00903
(Glyoxalase) 		5 LEU A 420
GLY A 415
GLY A 338
VAL A 339
PRO A 331
 None
 1.10A 3nu5B-1sp8A:
undetectable		 3nu5B-1sp8A:
12.00
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
 None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
 0.96A 3nu5B-1v5fA:
undetectable		 3nu5B-1v5fA:
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.
2afv COBALAMIN
BIOSYNTHESIS
PRECORRIN ISOMERASE

(Leptospira
interrogans) 		PF02570
(CbiC) 		5 LEU A 210
GLY A 165
VAL A  38
ILE A  57
ILE A 209
 None
 1.07A 3nu5B-2afvA:
undetectable		 3nu5B-2afvA:
18.58
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.
2cvj THIOREDOXIN
REDUCTASE RELATED
PROTEIN

(Thermus
thermophilus) 		PF00890
(FAD_binding_2)
PF07992
(Pyr_redox_2) 		5 LEU A 170
GLY A  24
ALA A  23
ASP A 177
VAL A 164
 None
 1.00A 3nu5B-2cvjA:
undetectable		 3nu5B-2cvjA:
18.03
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A 444
ALA A 443
VAL A 239
ILE A 236
PRO A 217
 None
 1.00A 3nu5B-2dpnA:
undetectable		 3nu5B-2dpnA:
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.
2f7l 455AA LONG
HYPOTHETICAL
PHOSPHO-SUGAR MUTASE

(Sulfurisphaera
tokodaii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		6 ASP A 341
GLY A 342
ALA A 343
VAL A 156
GLY A 184
VAL A 183
 None
 1.28A 3nu5B-2f7lA:
undetectable		 3nu5B-2f7lA:
12.09
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  53
GLY A  55
VAL A  56
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.7A)
LP1  A 201 (-4.2A)
 0.44A 3nu5B-2fmbA:
15.0		 3nu5B-2fmbA:
34.91
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) 		8 LEU A  23
ASP A  25
GLY A  27
VAL A  32
ILE A  53
GLY A  55
VAL A  56
PRO A  86
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.7A)
LP1  A 201 (-3.9A)
 0.58A 3nu5B-2fmbA:
15.0		 3nu5B-2fmbA:
34.91
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.
2kw7 CONSERVED DOMAIN
PROTEIN

(Porphyromonas
gingivalis) 		PF04536
(TPM_phosphatase) 		5 ARG A  19
ASP A  23
GLY A  26
ALA A  25
PRO A  10
 None
 1.03A 3nu5B-2kw7A:
undetectable		 3nu5B-2kw7A:
20.41
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.
2n8n TRANSLATION
INITIATION FACTOR
IF-1

(Staphylococcus
aureus) 		PF01176
(eIF-1a) 		5 LEU A  26
GLY A  65
ALA A  34
VAL A  13
ILE A  47
 None
 1.11A 3nu5B-2n8nA:
undetectable		 3nu5B-2n8nA:
22.00
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.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 LEU A  28
GLY A  14
ALA A   9
VAL A  56
ILE A  30
 None
 0.87A 3nu5B-2ph3A:
undetectable		 3nu5B-2ph3A:
16.67
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.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.86A 3nu5B-2q0lA:
undetectable		 3nu5B-2q0lA:
15.99
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.
2q14 PHOSPHOHYDROLASE

(Bacteroides
thetaiotaomicron) 		PF01966
(HD) 		5 GLY A  61
ALA A  62
ASP A 162
VAL A 155
ILE A  92
 None
 1.07A 3nu5B-2q14A:
undetectable		 3nu5B-2q14A:
16.29
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.
2qdl CHEMOTAXIS SIGNAL
TRANSDUCTION PROTEIN

(Caldanaerobacter
subterraneus) 		PF01584
(CheW) 		5 LEU A 144
GLY A  94
ALA A  93
VAL A  31
ILE A  88
 None
 0.89A 3nu5B-2qdlA:
undetectable		 3nu5B-2qdlA:
21.79
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.
2qkx BIFUNCTIONAL PROTEIN
GLMU

(Mycobacterium
tuberculosis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 GLY A 334
ALA A 319
VAL A 304
ILE A 298
GLY A 300
 None
 1.01A 3nu5B-2qkxA:
undetectable		 3nu5B-2qkxA:
14.25
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 LEU A 283
GLY A  63
ALA A  62
GLY A  57
ILE A 280
 None
 0.71A 3nu5B-2ri6A:
undetectable		 3nu5B-2ri6A:
16.01
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 GLY A  27
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.56A 3nu5B-2rkfA:
20.3		 3nu5B-2rkfA:
81.82
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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 4.2A)
 0.42A 3nu5B-2rkfA:
20.3		 3nu5B-2rkfA:
81.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ILE A 108
 None
 0.39A 3nu5B-2rspA:
12.7		 3nu5B-2rspA:
32.80
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.
2yb6 UBIQUITIN-CONJUGATIN
G ENZYME E2 B

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLY A  26
ALA A  38
VAL A  70
ILE A 109
ILE A  57
 None
 0.83A 3nu5B-2yb6A:
undetectable		 3nu5B-2yb6A:
19.75
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.
2zym SOLUTE-BINDING
PROTEIN

(Thermoactinomyces
vulgaris) 		PF13416
(SBP_bac_8) 		5 GLY A 339
VAL A 262
ILE A 252
GLY A 248
VAL A 131
 None
 1.05A 3nu5B-2zymA:
undetectable		 3nu5B-2zymA:
15.82
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.
3a3j PBP5

(Haemophilus
influenzae) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 GLY A 129
ALA A 132
VAL A 115
ILE A  92
GLY A  98
 None
 1.10A 3nu5B-3a3jA:
undetectable		 3nu5B-3a3jA:
15.38
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.
3bbl REGULATORY PROTEIN
OF LACI FAMILY

(Chloroflexus
aggregans) 		PF13377
(Peripla_BP_3) 		5 LEU A 328
ASP A 165
GLY A 153
ILE A 302
PRO A 331
 None
 1.00A 3nu5B-3bblA:
undetectable		 3nu5B-3bblA:
15.13
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.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		5 ARG A  54
ASP A 261
VAL A 277
ILE A 237
GLY A 240
 None
 0.91A 3nu5B-3dwzA:
undetectable		 3nu5B-3dwzA:
19.17
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.
3e48 PUTATIVE
NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Staphylococcus
aureus) 		PF13460
(NAD_binding_10) 		5 LEU A 226
GLY A 165
ALA A 164
GLY A 253
PRO A 114
 None
 1.00A 3nu5B-3e48A:
undetectable		 3nu5B-3e48A:
16.67
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.86A 3nu5B-3fbsA:
undetectable		 3nu5B-3fbsA:
17.06
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 LEU A 256
GLY A 218
ILE A 116
GLY A 120
ILE A 190
 None
 0.73A 3nu5B-3gh8A:
undetectable		 3nu5B-3gh8A:
20.40
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.
3goc ENDONUCLEASE V

(Streptomyces
avermitilis) 		PF04493
(Endonuclease_5) 		5 GLY A 117
VAL A  45
ILE A 111
GLY A 131
VAL A 132
 None
 1.08A 3nu5B-3gocA:
undetectable		 3nu5B-3gocA:
17.26
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.
3gvc PROBABLE SHORT-CHAIN
TYPE
DEHYDROGENASE/REDUCT
ASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		5 GLY A 137
ALA A 138
GLY A 112
VAL A 113
ILE A 182
 None
 0.83A 3nu5B-3gvcA:
undetectable		 3nu5B-3gvcA:
16.67
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.
3i4j AMINOTRANSFERASE,
CLASS III

(Deinococcus
radiodurans) 		PF00202
(Aminotran_3) 		5 GLY A 266
ALA A 265
VAL A 313
GLY A 306
ILE A  43
 None
 1.07A 3nu5B-3i4jA:
undetectable		 3nu5B-3i4jA:
12.83
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.
3i4o TRANSLATION
INITIATION FACTOR
IF-1

(Mycobacterium
tuberculosis) 		PF01176
(eIF-1a) 		5 LEU A  27
GLY A  66
ALA A  35
VAL A  14
ILE A  25
 None
 0.96A 3nu5B-3i4oA:
undetectable		 3nu5B-3i4oA:
21.57
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 ARG A   8
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 None
 0.51A 3nu5B-3mwsA:
19.5		 3nu5B-3mwsA:
78.79
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
 None
 1.37A 3nu5B-3mwsA:
19.5		 3nu5B-3mwsA:
78.79
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 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
 0.58A 3nu5B-3mwsA:
19.5		 3nu5B-3mwsA:
78.79
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 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 None
 0.38A 3nu5B-3mwsA:
19.5		 3nu5B-3mwsA:
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.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		5 ARG A 170
LEU A 112
GLY A 176
ALA A 177
ILE A 108
 None
 1.01A 3nu5B-3nd0A:
undetectable		 3nu5B-3nd0A:
14.90
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.
3pdx TYROSINE
AMINOTRANSFERASE

(Mus musculus) 		PF00155
(Aminotran_1_2) 		5 LEU A 331
GLY A 325
ALA A 326
VAL A  93
ILE A 330
 None
 0.87A 3nu5B-3pdxA:
undetectable		 3nu5B-3pdxA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qtg PYRUVATE KINASE

(Pyrobaculum
aerophilum) 		PF00224
(PK)
PF02887
(PK_C) 		5 LEU A  23
ALA A  52
VAL A  79
ILE A 190
ILE A  47
 None
 1.07A 3nu5B-3qtgA:
undetectable		 3nu5B-3qtgA:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 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) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.43A 3nu5B-3slzA:
11.3		 3nu5B-3slzA:
25.95
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
GLY A  34
VAL A  39
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
None
3TL  A 126 (-4.0A)
 0.79A 3nu5B-3slzA:
11.3		 3nu5B-3slzA:
25.95
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.72A 3nu5B-3t2yA:
undetectable		 3nu5B-3t2yA:
12.65
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
None
 0.68A 3nu5B-3t3cA:
18.2		 3nu5B-3t3cA:
73.74
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
None
 0.63A 3nu5B-3t3cA:
18.2		 3nu5B-3t3cA:
73.74
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
 1.45A 3nu5B-3ttpA:
19.3		 3nu5B-3ttpA:
75.76
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) 		7 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  49
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-4.7A)
 0.47A 3nu5B-3ttpA:
19.3		 3nu5B-3ttpA:
75.76
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-4.7A)
 0.36A 3nu5B-3ttpA:
19.3		 3nu5B-3ttpA:
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.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		6 ARG A 554
LEU A 567
VAL A 351
ILE A 430
GLY A 432
ILE A 356
 None
 1.29A 3nu5B-3u24A:
undetectable		 3nu5B-3u24A:
11.05
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.51A 3nu5B-3u7sA:
19.7		 3nu5B-3u7sA:
75.76
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) 		5 LEU A  23
ASP A  25
GLY A  27
ALA A  28
PRO A  81
 None
 0.24A 3nu5B-3uhlA:
16.0		 3nu5B-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.
3w1h L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 LEU A 211
GLY A 202
ALA A 203
GLY A 190
ILE A 160
 None
 0.97A 3nu5B-3w1hA:
undetectable		 3nu5B-3w1hA:
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.
3zlc ER-DERIVED VESICLES
PROTEIN ERV41

(Saccharomyces
cerevisiae) 		PF07970
(COPIIcoated_ERV)
PF13850
(ERGIC_N) 		5 LEU A  80
VAL A  94
ILE A 168
GLY A 166
ILE A  82
 None
 1.09A 3nu5B-3zlcA:
undetectable		 3nu5B-3zlcA:
16.94
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.
4aa9 CHYMOSIN

(Camelus
dromedarius) 		PF00026
(Asp) 		5 ASP A  34
GLY A  36
ASP A  39
ILE A  75
ILE A 122
 None
None
None
SO4  A1332 (-4.4A)
None
 0.73A 3nu5B-4aa9A:
8.2		 3nu5B-4aa9A:
18.70
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.
4az7 BETA-N-ACETYLHEXOSAM
INIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 GLY A 358
ILE A 301
GLY A 224
VAL A 223
ILE A 341
 None
 1.00A 3nu5B-4az7A:
undetectable		 3nu5B-4az7A:
13.26
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 LEU A 148
GLY A 191
ALA A 192
ILE A 137
GLY A 196
 None
 0.96A 3nu5B-4dwqA:
undetectable		 3nu5B-4dwqA:
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.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 LEU A 570
GLY A 534
ILE A 513
GLY A 515
ILE A 536
 None
 1.02A 3nu5B-4fm9A:
undetectable		 3nu5B-4fm9A:
9.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fr2 1,3-PROPANEDIOL
DEHYDROGENASE

(Oenococcus oeni) 		PF00465
(Fe-ADH) 		5 LEU A 137
GLY A 110
ALA A 111
VAL A  37
ILE A  96
 None
 1.14A 3nu5B-4fr2A:
undetectable		 3nu5B-4fr2A:
17.04
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.
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis vinifera) 		PF00701
(DHDPS) 		5 GLY A 221
ILE A  25
GLY A 182
VAL A 183
ILE A  31
 None
None
None
KPI  A 184 ( 2.9A)
None
 0.95A 3nu5B-4hnnA:
undetectable		 3nu5B-4hnnA:
15.38
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.
4kng LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 5

(Homo sapiens) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF13855
(LRR_8) 		5 GLY A 314
ALA A 315
ILE A 272
PRO A 322
ILE A 318
 None
 0.94A 3nu5B-4kngA:
undetectable		 3nu5B-4kngA:
10.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 LEU A  29
ASP A   6
VAL A 120
ILE A 129
ILE A   4
 None
 1.06A 3nu5B-4kpoA:
undetectable		 3nu5B-4kpoA:
19.21
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 GLY A 683
ALA A 684
VAL A 721
ILE A 711
GLY A 708
 None
None
None
GOL  A 822 (-4.5A)
None
 1.01A 3nu5B-4lgnA:
undetectable		 3nu5B-4lgnA:
7.25
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.53A 3nu5B-4njvA:
19.9		 3nu5B-4njvA:
83.84
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.39A 3nu5B-4njvA:
19.9		 3nu5B-4njvA:
83.84
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.
4p1e TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Escherichia
fergusonii) 		PF03480
(DctP) 		5 LEU A 143
VAL A  90
ILE A  42
GLY A  45
ILE A 241
 None
 1.14A 3nu5B-4p1eA:
undetectable		 3nu5B-4p1eA:
16.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r37 PUTATIVE
ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Bacteroides
fragilis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 GLY A 181
ALA A 180
VAL A 158
ILE A 146
ILE A 174
 None
 1.09A 3nu5B-4r37A:
undetectable		 3nu5B-4r37A:
23.76
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.
4xgj UNCHARACTERIZED
PROTEIN

(Pectobacterium
atrosepticum) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 LEU A 224
GLY A 229
VAL A  13
GLY A  27
ILE A  88
 None
 1.07A 3nu5B-4xgjA:
undetectable		 3nu5B-4xgjA:
10.07
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) 		7 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.54A 3nu5B-4ydfA:
12.6		 3nu5B-4ydfA:
32.17
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.
5b16 RIBONUCLEASE
3,DROSHA,RIBONUCLEAS
E
3,DROSHA,RIBONUCLEAS
E 3

(Homo sapiens) 		PF00035
(dsrm)
PF00636
(Ribonuclease_3)
PF14622
(Ribonucleas_3_3) 		5 LEU A1047
ALA A1060
VAL A 976
GLY A1065
ILE A1048
 None
 0.98A 3nu5B-5b16A:
undetectable		 3nu5B-5b16A:
6.57
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
GLY A  49
PRO A  81
ILE A  84
 None
 0.90A 3nu5B-5b18A:
18.1		 3nu5B-5b18A:
74.75
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
GLY A  49
VAL A  50
PRO A  81
ILE A  84
 None
 1.02A 3nu5B-5b18A:
18.1		 3nu5B-5b18A:
74.75
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 GLY A  27
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 0.26A 3nu5B-5b18A:
18.1		 3nu5B-5b18A:
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.
5fql IDURONATE-2-SULFATAS
E

(Homo sapiens) 		PF00884
(Sulfatase) 		5 LEU A 259
GLY A 520
ALA A 519
ILE A 487
GLY A 489
 None
 0.93A 3nu5B-5fqlA:
undetectable		 3nu5B-5fqlA:
11.05
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.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 GLY A 126
ALA A 127
GLY A 100
VAL A 101
ILE A 170
 None
 1.01A 3nu5B-5ha5A:
undetectable		 3nu5B-5ha5A:
16.80
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.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		5 GLY A 212
VAL A 206
GLY A 246
VAL A 247
ILE A 214
 None
 1.06A 3nu5B-5hy5A:
undetectable		 3nu5B-5hy5A:
12.52
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.
5ivw GENERAL
TRANSCRIPTION FACTOR
IIH SUBUNIT 3

(Homo sapiens) 		PF03850
(Tfb4) 		5 LEU 3 162
VAL 3  59
ILE 3 111
VAL 3  43
ILE 3  13
 None
 1.06A 3nu5B-5ivw3:
undetectable		 3nu5B-5ivw3:
17.69
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 5 ASP A  80
GLY A  82
ASP A  85
ILE A 122
ILE A 169
 None
 0.80A 3nu5B-5nfgA:
6.9		 3nu5B-5nfgA:
14.32
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 None
 0.46A 3nu5B-5t2zA:
20.1		 3nu5B-5t2zA:
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.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 5 GLY A 192
ALA A 193
GLY A 155
VAL A 154
ILE A 196
 None
 0.76A 3nu5B-5xexA:
undetectable		 3nu5B-5xexA:
10.70
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.
5y3x BETA-XYLANASE

(Caldicellulosiruptor
owensensis) 		no annotation 5 GLY A 175
ALA A 174
VAL A 136
ILE A 120
PRO A 208
 None
 1.05A 3nu5B-5y3xA:
undetectable		 3nu5B-5y3xA:
20.19
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.
5yjj POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
epidermidis) 		no annotation 5 GLY A 192
ALA A 193
GLY A 155
VAL A 154
ILE A 196
 None
 0.80A 3nu5B-5yjjA:
undetectable		 3nu5B-5yjjA:
15.15
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.
6az1 RIBOSOMAL PROTEIN
S8E

(Leishmania
donovani) 		no annotation 5 ARG K  75
ASP K  61
GLY K  39
ALA K  40
VAL K  43
 C  1 307 ( 2.7A)
None
None
None
None
 1.12A 3nu5B-6az1K:
undetectable		 3nu5B-6az1K:
23.36
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.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 5 GLY A 397
ALA A 398
GLY A 403
VAL A 404
ILE A 199
 None
None
None
FLC  A 601 (-4.7A)
None
 1.14A 3nu5B-6eoeA:
undetectable		 3nu5B-6eoeA:
12.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  28
ASP A  30
ALA A  33
ASP A  34
GLY A  58
VAL A  59
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.3A)
 1.35A 3nu5B-6fivA:
15.6		 3nu5B-6fivA:
31.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  28
ASP A  30
GLY A  32
ALA A  33
GLY A  58
VAL A  59
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.3A)
 0.26A 3nu5B-6fivA:
15.6		 3nu5B-6fivA:
31.67
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.
6g5s -

(-) 		no annotation 5 GLY A 252
ALA A 217
VAL A 207
GLY A 224
VAL A 225
 None
 1.09A 3nu5B-6g5sA:
undetectable		 3nu5B-6g5sA:
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.60A 3nu5B-6upjA:
17.6		 3nu5B-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) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
 0.58A 3nu5B-6upjA:
17.6		 3nu5B-6upjA:
48.48