SIMILAR PATTERNS OF AMINO ACIDS FOR 2NNP_A_ROCA401_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.
1cl7 PROTEIN (IGG1
ANTIBODY 1696
(CONSTANT HEAVY
CHAIN))

(Mus musculus) 		PF07654
(C1-set) 		5 LEU I 145
VAL I 170
GLY I 164
VAL I 190
VAL I 188
 None
 1.05A 2nnpB-1cl7I:
undetectable		 2nnpB-1cl7I:
22.12
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.63A 2nnpB-1hvcA:
14.0		 2nnpB-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
 0.57A 2nnpB-1hvcA:
14.0		 2nnpB-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.9A)
 0.57A 2nnpB-1hvcA:
14.0		 2nnpB-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
VAL A  32
GLY A  49
ILE A  50
VAL A  82
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
 0.53A 2nnpB-1hvcA:
14.0		 2nnpB-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
VAL A  32
PRO A  81
VAL A  82
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.40A 2nnpB-1hvcA:
14.0		 2nnpB-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.
1ken INFLUENZA VIRUS
INFECTIVITY
NEUTRALIZING
ANTIBODY (HEAVY
CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H 145
VAL H 170
GLY H 164
VAL H 190
VAL H 188
 None
 0.97A 2nnpB-1kenH:
undetectable		 2nnpB-1kenH:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mex FAB 29G12 HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H 140
VAL H 171
GLY H 164
VAL H 193
VAL H 191
 None
 1.08A 2nnpB-1mexH:
undetectable		 2nnpB-1mexH:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s2t PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Mytilus edulis) 		PF13714
(PEP_mutase) 		5 LEU A  71
ALA A  32
GLY A  42
ILE A  23
VAL A 108
 None
 0.74A 2nnpB-1s2tA:
undetectable		 2nnpB-1s2tA:
16.72
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) 		5 ARG A   8
LEU A  23
GLY A  49
ILE A  50
PRO A  81
 None
 0.67A 2nnpB-1sivA:
18.2		 2nnpB-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) 		5 LEU A  23
ASP A  25
ALA A  28
GLY A  49
PRO A  81
 None
 0.55A 2nnpB-1sivA:
18.2		 2nnpB-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) 		5 LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
 None
 0.61A 2nnpB-1sivA:
18.2		 2nnpB-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.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF04107
(GCS2) 		5 LEU A  14
ALA A 261
VAL A 236
VAL A 137
VAL A 139
 None
 1.07A 2nnpB-1tt4A:
undetectable		 2nnpB-1tt4A:
15.03
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.
1v6a L-LACTATE
DEHYDROGENASE A
CHAIN

(Cyprinus carpio) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  48
VAL A  91
ILE A 263
VAL A  25
VAL A  23
 None
 1.04A 2nnpB-1v6aA:
undetectable		 2nnpB-1v6aA:
15.36
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.
1vcv PROBABLE
DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Pyrobaculum
aerophilum) 		PF01791
(DeoC) 		5 ALA A 142
VAL A  85
ILE A 105
PRO A  88
VAL A 118
 None
 0.95A 2nnpB-1vcvA:
undetectable		 2nnpB-1vcvA:
19.07
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.
1vdw HYPOTHETICAL PROTEIN
PH1897

(Pyrococcus
horikoshii) 		PF00459
(Inositol_P) 		5 ALA A 238
VAL A 224
ILE A 202
GLY A 205
ILE A 208
 None
 1.05A 2nnpB-1vdwA:
undetectable		 2nnpB-1vdwA:
18.90
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.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		5 ALA A 128
VAL A 146
ILE A 159
GLY A 161
VAL A 141
 None
 0.80A 2nnpB-1xfjA:
undetectable		 2nnpB-1xfjA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xi9 PUTATIVE
TRANSAMINASE

(Pyrococcus
furiosus) 		PF00155
(Aminotran_1_2) 		5 VAL A 202
ILE A 191
ILE A 218
VAL A 231
VAL A 229
 None
 0.83A 2nnpB-1xi9A:
undetectable		 2nnpB-1xi9A:
12.07
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.
2aka DYNAMIN-1

(Rattus
norvegicus) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		5 LEU B  48
ILE B 204
GLY B 202
ILE B 201
VAL B  47
 None
 1.03A 2nnpB-2akaB:
undetectable		 2nnpB-2akaB:
17.22
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.
2ap9 ACETYLGLUTAMATE
KINASE

(Mycobacterium
tuberculosis) 		PF00696
(AA_kinase) 		5 LEU A 212
VAL A  67
ILE A 119
VAL A  33
VAL A  35
 None
 1.02A 2nnpB-2ap9A:
undetectable		 2nnpB-2ap9A:
21.33
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.
2as9 SERINE PROTEASE

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		5 ALA A 187
ILE A 142
ILE A 194
VAL A 169
VAL A 162
 None
 1.06A 2nnpB-2as9A:
undetectable		 2nnpB-2as9A:
20.10
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.69A 2nnpB-2fmbA:
15.3		 2nnpB-2fmbA:
33.02
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) 		7 LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  55
PRO A  86
VAL A  87
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
 0.62A 2nnpB-2fmbA:
15.3		 2nnpB-2fmbA:
33.02
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.
2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 ARG A  35
ALA A  31
VAL A  79
ILE A  25
VAL A  10
 None
 0.97A 2nnpB-2gd2A:
undetectable		 2nnpB-2gd2A:
13.84
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.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1

(Homo sapiens) 		PF00171
(Aldedh) 		5 LEU A 242
ILE A 220
ILE A 183
PRO A 157
VAL A 158
 None
 1.05A 2nnpB-2j6lA:
undetectable		 2nnpB-2j6lA:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jqv AIG2 PROTEIN-LIKE

(Arabidopsis
thaliana) 		PF06094
(GGACT) 		5 ALA A  36
VAL A 102
ILE A  67
VAL A  91
VAL A  93
 None
 0.89A 2nnpB-2jqvA:
undetectable		 2nnpB-2jqvA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o20 CATABOLITE CONTROL
PROTEIN A

(Lactococcus
lactis) 		PF00532
(Peripla_BP_1) 		5 LEU A 319
VAL A 148
GLY A  84
ILE A  88
VAL A 160
 None
 1.00A 2nnpB-2o20A:
undetectable		 2nnpB-2o20A:
15.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ox4 PUTATIVE MANDELATE
RACEMASE

(Zymomonas
mobilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 131
VAL A 212
ILE A 230
VAL A 163
VAL A 165
 None
 0.96A 2nnpB-2ox4A:
undetectable		 2nnpB-2ox4A:
16.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pcr INOSITOL-1-MONOPHOSP
HATASE

(Aquifex
aeolicus) 		PF00459
(Inositol_P) 		5 ARG A  82
ILE A 221
ILE A 215
PRO A 113
VAL A 108
 None
 0.84A 2nnpB-2pcrA:
undetectable		 2nnpB-2pcrA:
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.
2pey BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1 (PAPS
SYNTHETASE 1) (PAPSS
1) (SULFURYLASE
KINASE 1) (SK1) (SK
1)

(Homo sapiens) 		PF01583
(APS_kinase) 		5 LEU A 202
ALA A  63
ILE A 132
VAL A 156
VAL A 158
 None
DAT  A 300 (-4.3A)
ADX  A 400 (-3.9A)
None
None
 0.99A 2nnpB-2peyA:
undetectable		 2nnpB-2peyA:
18.38
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.41A 2nnpB-2rkfA:
20.5		 2nnpB-2rkfA:
81.82
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.
2vnu EXOSOME COMPLEX
EXONUCLEASE RRP44

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 LEU D 407
VAL D 434
ILE D 453
VAL D 422
VAL D 424
 None
 0.90A 2nnpB-2vnuD:
undetectable		 2nnpB-2vnuD:
8.35
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.
2w3y VIRULENCE FACTOR

(Pectobacterium
carotovorum) 		no annotation 5 ASP A 244
ILE A 230
GLY A  63
ILE A  65
VAL A 243
 None
 0.89A 2nnpB-2w3yA:
undetectable		 2nnpB-2w3yA:
15.45
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.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 LEU J 407
VAL J 434
ILE J 453
VAL J 422
VAL J 424
 None
 0.90A 2nnpB-2wp8J:
undetectable		 2nnpB-2wp8J:
7.50
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.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 LEU A 136
ALA A  97
ILE A  33
VAL A 107
VAL A 105
 None
 0.97A 2nnpB-3aamA:
undetectable		 2nnpB-3aamA:
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.
3cvh 25-D1.16 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H 145
VAL H 170
GLY H 164
VAL H 190
VAL H 188
 None
 1.05A 2nnpB-3cvhH:
undetectable		 2nnpB-3cvhH:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d3r HYDROGENASE ASSEMBLY
CHAPERONE HYPC/HUPF

(Shewanella
oneidensis) 		PF01455
(HupF_HypC) 		5 ASP A  43
VAL A  21
ILE A  47
VAL A  12
VAL A   9
 None
 1.00A 2nnpB-3d3rA:
undetectable		 2nnpB-3d3rA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7u CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Escherichia
coli) 		PF00145
(DNA_methylase) 		5 LEU A  13
ALA A 115
ILE A 121
ILE A 147
VAL A 349
 None
None
None
None
CL  A 401 ( 4.0A)
 1.08A 2nnpB-3g7uA:
undetectable		 2nnpB-3g7uA:
13.55
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.
3gvx GLYCERATE
DEHYDROGENASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ALA A 209
GLY A 129
ILE A 127
VAL A 191
VAL A 213
 None
 1.09A 2nnpB-3gvxA:
undetectable		 2nnpB-3gvxA:
19.71
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.
3hxl UNCHARACTERIZED
PROTEIN DSY3957

(Desulfitobacterium
hafniense) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 ARG A  73
LEU A 261
VAL A 294
GLY A 287
VAL A 253
 None
 1.04A 2nnpB-3hxlA:
undetectable		 2nnpB-3hxlA:
16.49
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 LEU A 241
VAL A 327
GLY A 305
VAL A 270
VAL A 272
 None
 0.95A 2nnpB-3i58A:
undetectable		 2nnpB-3i58A:
13.77
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 LEU A 398
VAL A 329
ILE A 314
VAL A 407
VAL A 405
 None
 1.02A 2nnpB-3iuuA:
undetectable		 2nnpB-3iuuA:
13.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k5h PHOSPHORIBOSYL-AMINO
IMIDAZOLE
CARBOXYLASE

(Aspergillus
clavatus) 		PF01262
(AlaDh_PNT_C)
PF02222
(ATP-grasp) 		5 ALA A  23
VAL A   7
ILE A 295
VAL A  32
VAL A  30
 None
 0.95A 2nnpB-3k5hA:
undetectable		 2nnpB-3k5hA:
13.64
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.
3kl9 GLUTAMYL
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF05343
(Peptidase_M42) 		5 LEU A 205
VAL A 231
ILE A 351
VAL A  63
VAL A  61
 None
 0.93A 2nnpB-3kl9A:
undetectable		 2nnpB-3kl9A:
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 LEU A  70
VAL A  33
GLY A  19
ILE A  18
VAL A  10
 None
 1.04A 2nnpB-3ktdA:
undetectable		 2nnpB-3ktdA:
15.84
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) 		9 LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 None
 0.57A 2nnpB-3mwsA:
19.7		 2nnpB-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.
3o9p PERIPLASMIC MUREIN
PEPTIDE-BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 LEU A 359
ILE A 374
ILE A 295
VAL A 386
VAL A 388
 None
 0.93A 2nnpB-3o9pA:
undetectable		 2nnpB-3o9pA:
12.53
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.
3r0v ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Sphaerobacter
thermophilus) 		PF12697
(Abhydrolase_6) 		5 LEU A 111
VAL A  24
ILE A  78
ILE A  72
VAL A  88
 None
 1.08A 2nnpB-3r0vA:
undetectable		 2nnpB-3r0vA:
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.
3t05 PYRUVATE KINASE

(Staphylococcus
aureus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		5 ALA A 558
VAL A 493
ILE A 476
VAL A 509
VAL A 511
 None
 1.06A 2nnpB-3t05A:
undetectable		 2nnpB-3t05A:
10.18
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) 		7 LEU A  23
ALA A  28
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
None
None
 0.60A 2nnpB-3t3cA:
18.6		 2nnpB-3t3cA:
75.76
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
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.45A 2nnpB-3t3cA:
18.6		 2nnpB-3t3cA:
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
PRO A  81
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
 0.43A 2nnpB-3ttpA:
19.3		 2nnpB-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
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.40A 2nnpB-3ttpA:
19.3		 2nnpB-3ttpA:
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) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  49
ILE A  50
PRO A  81
VAL A  84
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
None
 0.47A 2nnpB-3u7sA:
19.7		 2nnpB-3u7sA:
77.78
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
ALA A  28
PRO A  81
VAL A  82
VAL A  84
 None
 0.53A 2nnpB-3uhlA:
16.3		 2nnpB-3uhlA:
81.82
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.
3uif SULFONATE ABC
TRANSPORTER,
PERIPLASMIC
SULFONATE-BINDING
PROTEIN SSUA

(Methylobacillus
flagellatus) 		PF09084
(NMT1) 		5 ALA A  73
ILE A  91
GLY A  94
ILE A  95
VAL A  78
 None
 1.05A 2nnpB-3uifA:
undetectable		 2nnpB-3uifA:
18.36
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.
3uif SULFONATE ABC
TRANSPORTER,
PERIPLASMIC
SULFONATE-BINDING
PROTEIN SSUA

(Methylobacillus
flagellatus) 		PF09084
(NMT1) 		5 ALA A  73
ILE A  91
ILE A  95
PRO A 101
VAL A  78
 None
 0.81A 2nnpB-3uifA:
undetectable		 2nnpB-3uifA:
18.36
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.
3urh DIHYDROLIPOYL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 291
VAL A 317
ILE A 313
ILE A   8
VAL A 297
 None
None
None
FAD  A 500 (-4.8A)
None
 1.08A 2nnpB-3urhA:
undetectable		 2nnpB-3urhA:
11.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uuw PUTATIVE
OXIDOREDUCTASE WITH
NAD(P)-BINDING
ROSSMANN-FOLD DOMAIN

(Clostridioides
difficile) 		PF01408
(GFO_IDH_MocA) 		5 LEU A  69
VAL A 119
GLY A 103
VAL A  90
VAL A  92
 None
 0.70A 2nnpB-3uuwA:
undetectable		 2nnpB-3uuwA:
17.84
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.
3vr5 V-TYPE SODIUM ATPASE
CATALYTIC SUBUNIT A

(Enterococcus
hirae) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 ALA A 314
VAL A 290
ILE A  79
VAL A 257
VAL A 255
 None
 1.08A 2nnpB-3vr5A:
undetectable		 2nnpB-3vr5A:
11.62
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		5 LEU A 380
VAL A 413
GLY A 435
VAL A 550
VAL A 548
 None
 0.73A 2nnpB-3zxlA:
undetectable		 2nnpB-3zxlA:
10.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ala FAB 2H12 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H 142
VAL H 167
GLY H 161
VAL H 187
VAL H 185
 None
 1.04A 2nnpB-4alaH:
undetectable		 2nnpB-4alaH:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  34
ASP A  36
VAL A  43
GLY A  63
VAL A 115
 None
ZN  A 301 (-2.3A)
None
EDO  A 319 (-3.2A)
None
 0.62A 2nnpB-4ehcA:
8.2		 2nnpB-4ehcA:
18.51
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.
4emk U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM5
U6 SNRNA-ASSOCIATED
SM-LIKE PROTEIN LSM7

(Schizosaccharomyces
pombe) 		PF01423
(LSM) 		5 LEU A  10
VAL C  88
ILE C  46
GLY C  48
ILE C  49
 None
 0.93A 2nnpB-4emkA:
undetectable		 2nnpB-4emkA:
21.62
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.
4fwm PROPIONATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		5 ALA A 386
VAL A  24
GLY A 393
VAL A  80
VAL A   7
 None
 1.09A 2nnpB-4fwmA:
undetectable		 2nnpB-4fwmA:
12.76
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.
4h6x THIAZOLINE
OXIDASE/SUBTILISIN-L
IKE PROTEASE

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		5 LEU A 733
ALA A 786
ILE A 546
ILE A 637
VAL A 712
 None
 0.93A 2nnpB-4h6xA:
undetectable		 2nnpB-4h6xA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imm OUTER MEMBRANE
ASSEMBLY LIPOPROTEIN
YFGL

(Moraxella
catarrhalis) 		PF13360
(PQQ_2) 		5 LEU A 176
ILE A 117
ILE A 126
VAL A 166
VAL A 164
 None
None
None
NA  A 404 (-3.6A)
None
 0.91A 2nnpB-4immA:
undetectable		 2nnpB-4immA:
14.99
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		5 LEU A 503
VAL A 555
ILE A 533
GLY A 545
VAL A 562
 None
 0.67A 2nnpB-4iugA:
undetectable		 2nnpB-4iugA:
7.01
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.
4joi CST COMPLEX SUBUNIT
TEN1

(Homo sapiens) 		no annotation 5 ALA D  91
VAL D  42
ILE D  74
VAL D  55
VAL D  57
 None
 0.89A 2nnpB-4joiD:
undetectable		 2nnpB-4joiD:
19.13
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.
4ksi LEUCINE
AMINOPEPTIDASE 1,
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 VAL A 565
ILE A 384
GLY A 382
ILE A 289
VAL A 374
 None
 1.04A 2nnpB-4ksiA:
undetectable		 2nnpB-4ksiA:
10.40
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.
4l0c DEFORMYLASE

(Pseudomonas
putida) 		PF12697
(Abhydrolase_6) 		5 LEU A  26
ALA A 100
ILE A 202
VAL A  88
VAL A  90
 None
 0.90A 2nnpB-4l0cA:
undetectable		 2nnpB-4l0cA:
18.50
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.58A 2nnpB-4njvA:
20.2		 2nnpB-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.
4odw A6 FAB (IGG2B) HEAVY
CHAIN

(Mus musculus) 		no annotation 5 LEU H 137
VAL H 162
GLY H 156
VAL H 182
VAL H 180
 None
 1.07A 2nnpB-4odwH:
undetectable		 2nnpB-4odwH:
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.
4ui2 REPULSIVE GUIDANCE
MOLECULE C, RGMC,
HEMOJUVELIN

(Homo sapiens) 		PF06534
(RGM_C)
PF06535
(RGM_N) 		5 LEU D 291
ALA D 234
VAL D 269
VAL D 280
VAL D 282
 None
 0.95A 2nnpB-4ui2D:
undetectable		 2nnpB-4ui2D:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		5 LEU A 143
VAL A 123
GLY A 150
VAL A 134
VAL A 132
 None
 0.80A 2nnpB-4x4jA:
undetectable		 2nnpB-4x4jA:
13.39
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) 		5 ARG A  10
LEU A  30
ASP A  32
ALA A  35
GLY A  58
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
 0.44A 2nnpB-4ydfA:
12.6		 2nnpB-4ydfA:
31.30
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) 		5 ARG A  10
LEU A  30
ASP A  32
ALA A  35
VAL A  39
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
 0.54A 2nnpB-4ydfA:
12.6		 2nnpB-4ydfA:
31.30
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.
5ab4 SCP2-THIOLASE LIKE
PROTEIN

(Trypanosoma
brucei) 		no annotation 5 ALA A 368
ILE A   8
ILE A 406
VAL A 402
VAL A 390
 None
 1.00A 2nnpB-5ab4A:
undetectable		 2nnpB-5ab4A:
12.53
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ARG A 147
ALA A  93
ILE A  79
GLY A   7
ILE A   6
 None
 1.05A 2nnpB-5d01A:
undetectable		 2nnpB-5d01A:
14.06
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.
5dbo TRANSLATION
INITIATION FACTOR
EIF-2B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF01008
(IF-2B) 		5 LEU A 357
VAL A 437
GLY A 366
VAL A 388
VAL A 390
 None
 1.04A 2nnpB-5dboA:
undetectable		 2nnpB-5dboA:
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.
5dwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU C 193
ALA C 252
VAL C 325
ILE C 283
VAL C 339
 None
 1.06A 2nnpB-5dwzC:
undetectable		 2nnpB-5dwzC:
14.29
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.
5glj TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 13

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A1173
ALA A1167
VAL A1150
ILE A1161
VAL A1147
 None
 0.76A 2nnpB-5gljA:
undetectable		 2nnpB-5gljA:
25.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hxw L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		5 LEU A 430
VAL A  58
ILE A 247
VAL A 254
VAL A 252
 None
 0.95A 2nnpB-5hxwA:
undetectable		 2nnpB-5hxwA:
14.22
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.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		5 LEU A 613
ILE A 401
ILE A 442
VAL A 601
VAL A 599
 None
 0.87A 2nnpB-5iheA:
undetectable		 2nnpB-5iheA:
12.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iq5 MACRO DOMAIN

(Mayaro virus) 		no annotation 5 ALA A  14
VAL A  37
ILE A  65
ILE A 106
VAL A  33
 None
 1.01A 2nnpB-5iq5A:
undetectable		 2nnpB-5iq5A:
19.00
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		5 VAL A 416
ILE A 390
ILE A 396
VAL A 377
VAL A 379
 None
 1.00A 2nnpB-5lrbA:
undetectable		 2nnpB-5lrbA:
8.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ls0 SOLUBLE INORGANIC
PYROPHOSPHATASE 1

(Arabidopsis
thaliana) 		PF00719
(Pyrophosphatase) 		5 ALA A 120
VAL A  91
ILE A 195
ILE A 139
VAL A  51
 None
 0.77A 2nnpB-5ls0A:
undetectable		 2nnpB-5ls0A:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5muw PACKAGING ENZYME P4

(Pseudomonas
virus phi6) 		PF11602
(NTPase_P4) 		5 VAL A 144
ILE A  64
ILE A 172
VAL A 186
VAL A 184
 None
 1.08A 2nnpB-5muwA:
undetectable		 2nnpB-5muwA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oed GTGE

(Salmonella
enterica) 		no annotation 5 ILE A 155
GLY A 157
ILE A  25
PRO A 175
VAL A  52
 None
 1.04A 2nnpB-5oedA:
undetectable		 2nnpB-5oedA:
18.35
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
 0.57A 2nnpB-5t2zA:
19.7		 2nnpB-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.
5vgz 26S PROTEASOME
REGULATORY SUBUNIT 8

(Homo sapiens) 		no annotation 5 VAL C  85
ILE C 105
ILE C 126
VAL C  77
VAL C  87
 None
 1.07A 2nnpB-5vgzC:
undetectable		 2nnpB-5vgzC:
23.97
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.
5vlp FAB7G7 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H 149
VAL H 174
GLY H 168
VAL H 194
VAL H 192
 None
 1.02A 2nnpB-5vlpH:
undetectable		 2nnpB-5vlpH:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5was HOMOSERINE KINASE

(Corynebacterium
glutamicum) 		no annotation 5 LEU A  62
VAL A  88
ILE A  72
VAL A  52
VAL A  50
 None
 1.09A 2nnpB-5wasA:
undetectable		 2nnpB-5wasA:
24.75
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.
5xyi 40S RIBOSOMAL
PROTEIN S23,
PUTATIVE

(Trichomonas
vaginalis) 		PF00164
(Ribosom_S12_S23) 		5 LEU X  75
ALA X  84
VAL X  52
ILE X  95
ILE X 124
 None
None
None
None
C  2  27 ( 4.6A)
 0.90A 2nnpB-5xyiX:
undetectable		 2nnpB-5xyiX:
20.28
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.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 5 LEU A  62
VAL A  88
ILE A  72
VAL A  52
VAL A  50
 None
 1.09A 2nnpB-6cyzA:
undetectable		 2nnpB-6cyzA:
25.29
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) 		5 ARG A  13
LEU A  28
ASP A  30
ALA A  33
GLY A  58
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.4A)
 0.31A 2nnpB-6fivA:
15.3		 2nnpB-6fivA:
30.58
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) 		5 ARG A  13
LEU A  28
ASP A  30
ALA A  33
VAL A  99
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
None
 0.33A 2nnpB-6fivA:
15.3		 2nnpB-6fivA:
30.58
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.
6fsw RIBOSOME MATURATION
PROTEIN SDO1-LIKE
PROTEIN

(Archaeoglobus
fulgidus) 		no annotation 5 LEU A  45
VAL A  10
ILE A  89
VAL A  23
VAL A  25
 None
 0.93A 2nnpB-6fswA:
undetectable		 2nnpB-6fswA:
22.22
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.
6grw -

(-) 		no annotation 5 LEU A 137
ALA A 276
VAL A 286
VAL A 261
VAL A 263
 None
 0.95A 2nnpB-6grwA:
undetectable		 2nnpB-6grwA:
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
GLY A  49
ILE A  50
PRO A  81
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.71A 2nnpB-6upjA:
18.0		 2nnpB-6upjA:
48.48