SIMILAR PATTERNS OF AMINO ACIDS FOR 2NNP_A_ROCA401

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
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 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
VAL A  82
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.6A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.79A 2nnpA-1hvcA:
14.4		 2nnpA-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 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
VAL A  82
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
None
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
 0.94A 2nnpA-1hvcA:
14.4		 2nnpA-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) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
THR A  80
PRO A  81
VAL A  82
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.48A 2nnpA-1hvcA:
14.4		 2nnpA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
THR A  80
VAL A  82
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
None
A79  A 800 (-4.5A)
 0.57A 2nnpA-1hvcA:
14.4		 2nnpA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
THR A  80
PRO A  81
VAL A  82
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
None
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
 0.58A 2nnpA-1hvcA:
14.4		 2nnpA-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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
 None
 0.90A 2nnpA-1p2fA:
undetectable		 2nnpA-1p2fA:
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.
1p2f RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 GLY A  93
ASP A  95
ILE A  75
ILE A  61
THR A  78
 None
 0.90A 2nnpA-1p2fA:
undetectable		 2nnpA-1p2fA:
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		5 GLY B 134
GLY B 107
ILE B 106
THR B  31
VAL B  69
 None
 0.96A 2nnpA-1poiB:
undetectable		 2nnpA-1poiB:
16.41
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.
1q15 CARA

(Pectobacterium
carotovorum) 		PF00733
(Asn_synthase)
PF09147
(DUF1933) 		5 GLY A 379
ILE A 315
THR A 172
PRO A 173
VAL A 174
 None
 0.90A 2nnpA-1q15A:
undetectable		 2nnpA-1q15A:
11.84
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  29
ASP A  30
THR A  80
PRO A  81
 None
 0.71A 2nnpA-1q9pA:
10.2		 2nnpA-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) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
PRO A  81
 None
 0.55A 2nnpA-1sivA:
18.3		 2nnpA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
 None
 0.80A 2nnpA-1sivA:
18.3		 2nnpA-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.
1vkf GLYCEROL UPTAKE
OPERON
ANTITERMINATOR-RELAT
ED PROTEIN

(Thermotoga
maritima) 		PF04309
(G3P_antiterm) 		5 GLY A  71
ALA A  72
ASP A  73
ILE A  39
VAL A  54
 None
 0.72A 2nnpA-1vkfA:
undetectable		 2nnpA-1vkfA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		6 GLY A 416
ALA A 417
ASP A 418
ILE A 395
ILE A 346
VAL A 360
 None
 1.32A 2nnpA-1vrgA:
undetectable		 2nnpA-1vrgA:
12.80
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 GLY A 424
ALA A 425
ASP A 426
ILE A 354
VAL A 368
 None
 0.92A 2nnpA-1x0uA:
undetectable		 2nnpA-1x0uA:
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.
1x44 MYOSIN-BINDING
PROTEIN C, SLOW-TYPE

(Homo sapiens) 		PF07679
(I-set) 		6 ALA A  36
ASP A  35
ASP A  34
ILE A  65
THR A  11
VAL A  10
 None
 1.24A 2nnpA-1x44A:
undetectable		 2nnpA-1x44A:
19.27
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.
1x7f OUTER SURFACE
PROTEIN

(Bacillus cereus) 		PF05913
(DUF871) 		5 GLY A  92
ALA A  93
ASP A  94
ILE A  55
VAL A  70
 None
 0.92A 2nnpA-1x7fA:
undetectable		 2nnpA-1x7fA:
14.17
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.
1xa0 PUTATIVE NADPH
DEPENDENT
OXIDOREDUCTASES

(Geobacillus
stearothermophilus) 		PF00107
(ADH_zinc_N) 		5 GLY A 131
ALA A 130
ILE A  66
ILE A  87
VAL A 324
 None
SO4  A 329 ( 4.2A)
None
None
None
 0.96A 2nnpA-1xa0A:
undetectable		 2nnpA-1xa0A:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		6 GLY A 539
ALA A 538
ASP A 537
GLY A 532
PRO A 475
VAL A 474
 None
 1.48A 2nnpA-1yr2A:
undetectable		 2nnpA-1yr2A:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f8m RIBOSE 5-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 134
ASP A 183
ILE A 138
GLY A 210
THR A 196
 None
 0.83A 2nnpA-2f8mA:
undetectable		 2nnpA-2f8mA:
22.16
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.
2fi1 HYDROLASE, HALOACID
DEHALOGENASE-LIKE
FAMILY

(Streptococcus
pneumoniae) 		PF13419
(HAD_2) 		5 GLY A 168
ALA A 167
GLY A 159
ILE A 158
VAL A 128
 None
 0.92A 2nnpA-2fi1A:
undetectable		 2nnpA-2fi1A:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  54
PRO A  86
VAL A  87
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
 0.93A 2nnpA-2fmbA:
14.9		 2nnpA-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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  53
GLY A  55
PRO A  86
VAL A  87
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
 0.53A 2nnpA-2fmbA:
14.9		 2nnpA-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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLY A 115
ILE A 102
GLY A  66
ILE A  65
PRO A 528
 None
 0.77A 2nnpA-2g3nA:
undetectable		 2nnpA-2g3nA:
9.31
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.83A 2nnpA-2isqA:
undetectable		 2nnpA-2isqA:
15.72
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.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 GLY A 260
ASP A  35
GLY A  28
THR A  86
VAL A  83
 None
 0.94A 2nnpA-2obvA:
undetectable		 2nnpA-2obvA:
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.
2oej 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Geobacillus
kaustophilus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLY A 232
ALA A 233
ASP A 234
GLY A 193
PRO A 185
 None
 0.96A 2nnpA-2oejA:
undetectable		 2nnpA-2oejA:
12.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 GLY A 103
ALA A 104
ILE A 170
PRO A 141
VAL A 140
 None
 0.93A 2nnpA-2qzwA:
7.4		 2nnpA-2qzwA:
14.24
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 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
None
AB1  A 501 (-4.2A)
 0.89A 2nnpA-2rkfA:
20.6		 2nnpA-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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
None
 0.51A 2nnpA-2rkfA:
20.6		 2nnpA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
None
AB1  A 501 (-4.2A)
 0.39A 2nnpA-2rkfA:
20.6		 2nnpA-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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 GLY G 621
ALA G 620
ILE G 617
GLY G 648
ILE G 676
 None
FMN  G3051 ( 4.7A)
None
None
None
 0.88A 2nnpA-2uv8G:
undetectable		 2nnpA-2uv8G:
4.29
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ASP B 211
ASP B 212
ILE B 167
GLY B 204
ILE B 203
 MG  B 328 (-3.1A)
None
None
None
None
 0.83A 2nnpA-3aqcB:
undetectable		 2nnpA-3aqcB:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 327
ALA A 329
GLY A 274
ILE A 271
VAL A 693
 None
 0.89A 2nnpA-3aqpA:
undetectable		 2nnpA-3aqpA:
10.39
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.
3c8t FUMARATE LYASE

(Chelativorans
sp. BNC1) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 GLY A 341
ALA A 343
ASP A  27
GLY A 132
ILE A 129
 None
 0.90A 2nnpA-3c8tA:
undetectable		 2nnpA-3c8tA:
12.59
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.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.89A 2nnpA-3fs2A:
undetectable		 2nnpA-3fs2A:
13.61
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
 None
 0.82A 2nnpA-3i5gA:
undetectable		 2nnpA-3i5gA:
8.00
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 976
GLY A 975
ALA A 971
ILE A 811
GLY A 598
 None
 0.75A 2nnpA-3iayA:
undetectable		 2nnpA-3iayA:
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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 287
GLY A 289
ASP A 291
ILE A 485
PRO A 355
 None
None
None
None
NAG  A5001 ( 4.9A)
 0.89A 2nnpA-3kf3A:
undetectable		 2nnpA-3kf3A:
11.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 None
 0.96A 2nnpA-3mwsA:
19.5		 2nnpA-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) 		7 ASP A  25
ALA A  28
ASP A  29
GLY A  48
THR A  80
PRO A  81
VAL A  82
 None
 0.98A 2nnpA-3mwsA:
19.5		 2nnpA-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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 None
 0.66A 2nnpA-3mwsA:
19.5		 2nnpA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
VAL A  82
 None
 0.70A 2nnpA-3mwsA:
19.5		 2nnpA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
THR A  80
PRO A  81
VAL A  82
 None
 0.63A 2nnpA-3mwsA:
19.5		 2nnpA-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.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
 None
None
None
None
BEF  A 402 (-3.6A)
 0.93A 2nnpA-3nnsA:
undetectable		 2nnpA-3nnsA:
23.14
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.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A 354
GLY A 165
ILE A 164
THR A 152
VAL A 149
 None
None
None
None
GOL  A 436 (-3.9A)
 0.95A 2nnpA-3nwrA:
undetectable		 2nnpA-3nwrA:
12.65
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
GLY A  56
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
 0.49A 2nnpA-3slzA:
11.1		 2nnpA-3slzA:
25.95
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.54A 2nnpA-3t3cA:
18.5		 2nnpA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
THR A  80
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
None
 0.60A 2nnpA-3t3cA:
18.5		 2nnpA-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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
None
017  A 201 (-4.1A)
 0.88A 2nnpA-3ttpA:
19.3		 2nnpA-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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
None
 0.77A 2nnpA-3ttpA:
19.3		 2nnpA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
017  A 201 (-4.1A)
 0.49A 2nnpA-3ttpA:
19.3		 2nnpA-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.
3u3i NUCLEOCAPSID PROTEIN

(Crimean-Congo
hemorrhagic
fever
orthonairovirus) 		PF02477
(Nairo_nucleo) 		5 GLY A 340
ASP A  60
GLY A 383
ILE A 385
VAL A  68
 None
 0.79A 2nnpA-3u3iA:
undetectable		 2nnpA-3u3iA:
13.61
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) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 ( 4.6A)
None
017  A 202 (-4.0A)
 0.93A 2nnpA-3u7sA:
19.7		 2nnpA-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 0.41A 2nnpA-3u7sA:
19.7		 2nnpA-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
THR A  80
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
None
017  A 202 (-4.0A)
 0.65A 2nnpA-3u7sA:
19.7		 2nnpA-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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
THR A  80
PRO A  81
VAL A  82
 None
 0.72A 2nnpA-3uhlA:
15.9		 2nnpA-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.
3wia NITRITE REDUCTASE

(Geobacillus
kaustophilus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 302
ALA A 303
GLY A 210
ILE A  54
PRO A 237
 None
 0.83A 2nnpA-3wiaA:
undetectable		 2nnpA-3wiaA:
17.13
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.
3wkq NITRITE REDUCTASE

(Geobacillus
thermodenitrificans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 GLY A 302
ALA A 303
GLY A 210
ILE A  54
PRO A 237
 MPD  A 418 (-3.8A)
None
None
None
None
 0.83A 2nnpA-3wkqA:
undetectable		 2nnpA-3wkqA:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zwf ZINC
PHOSPHODIESTERASE
ELAC PROTEIN 1

(Homo sapiens) 		PF00753
(Lactamase_B)
PF12706
(Lactamase_B_2) 		5 GLY A 188
ALA A 177
ILE A 156
GLY A  95
ILE A  60
 None
 0.92A 2nnpA-3zwfA:
undetectable		 2nnpA-3zwfA:
14.37
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 GLY X 577
ALA X 578
GLY X 355
ILE X 357
VAL X 219
 None
 0.91A 2nnpA-3zyyX:
undetectable		 2nnpA-3zyyX:
10.76
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.
3zyy IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF00111
(Fer2)
PF14574
(DUF4445) 		5 GLY X 577
ALA X 578
ILE X 345
GLY X 355
ILE X 357
 None
 0.80A 2nnpA-3zyyX:
undetectable		 2nnpA-3zyyX:
10.76
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.
4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF14574
(DUF4445) 		5 GLY I 577
ALA I 578
ILE I 345
GLY I 355
ILE I 357
 None
 0.88A 2nnpA-4c1nI:
undetectable		 2nnpA-4c1nI:
12.25
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.
4ee8 PRENYLTRANSFERASE

(Streptomyces
cinnamonensis) 		PF11468
(PTase_Orf2) 		5 ASP A 165
ASP A  60
GLY A 113
THR A  82
PRO A  83
 None
 0.95A 2nnpA-4ee8A:
undetectable		 2nnpA-4ee8A:
17.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4eqv INVERTASE 2

(Saccharomyces
cerevisiae) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 261
GLY A 263
ASP A 265
ILE A 464
PRO A 333
 None
 0.89A 2nnpA-4eqvA:
undetectable		 2nnpA-4eqvA:
12.37
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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 206
ALA A 207
ASP A 208
ILE A 190
ILE A 176
 None
 0.95A 2nnpA-4ilkA:
undetectable		 2nnpA-4ilkA:
17.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jga 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Rickettsia
rickettsii) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A 276
ALA A 301
ASP A 304
ILE A 273
ILE A 184
 None
 0.93A 2nnpA-4jgaA:
undetectable		 2nnpA-4jgaA:
13.27
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A  34
ILE A  88
GLY A 294
ILE A 295
THR A  68
 None
 0.86A 2nnpA-4kwsA:
undetectable		 2nnpA-4kwsA:
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.
4lq0 LAGLIDADG HOMING
ENDONUCLEASE

(Leptographium
truncatum) 		PF00961
(LAGLIDADG_1) 		5 ASP A  53
GLY A 262
ILE A  15
GLY A 176
ILE A 178
 None
 0.93A 2nnpA-4lq0A:
undetectable		 2nnpA-4lq0A:
16.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.81A 2nnpA-4njvA:
20.4		 2nnpA-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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.9A)
 0.49A 2nnpA-4njvA:
20.4		 2nnpA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
THR A  80
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
 0.56A 2nnpA-4njvA:
20.4		 2nnpA-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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
THR A  80
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
None
RIT  A 500 (-3.9A)
 0.63A 2nnpA-4njvA:
20.4		 2nnpA-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.
4odj S-ADENOSYLMETHIONINE
SYNTHASE

(Cryptosporidium
hominis) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 GLY A 268
ASP A  40
GLY A  33
THR A  91
VAL A  88
 None
 0.93A 2nnpA-4odjA:
undetectable		 2nnpA-4odjA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q6k BNR/ASP-BOX REPEAT
PROTEIN

(Bacteroides
caccae) 		PF13088
(BNR_2)
PF14873
(BNR_assoc_N) 		5 ALA A 127
ILE A 133
THR A 111
PRO A 112
VAL A 113
 None
EDO  A 609 (-4.8A)
None
None
None
 0.94A 2nnpA-4q6kA:
undetectable		 2nnpA-4q6kA:
11.65
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 ALA A 175
ASP A 176
ASP A 177
GLY A  12
ILE A 118
 None
 0.85A 2nnpA-4ttpA:
undetectable		 2nnpA-4ttpA:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4w6v DI-/TRIPEPTIDE
TRANSPORTER

(Yersinia
enterocolitica) 		PF00854
(PTR2) 		5 GLY A 181
ILE A 107
GLY A 187
ILE A 188
PRO A  39
 None
 0.93A 2nnpA-4w6vA:
undetectable		 2nnpA-4w6vA:
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.
4xib E3 UBIQUITIN-PROTEIN
LIGASE MIB1

(Homo sapiens) 		PF00569
(ZZ)
PF06701
(MIB_HERC2) 		5 GLY A 154
ALA A 155
ASP A 220
GLY A 223
VAL A 207
 None
 0.83A 2nnpA-4xibA:
undetectable		 2nnpA-4xibA:
13.71
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		6 ASP A 369
ALA A 372
ASP A 373
THR A 349
PRO A 350
VAL A 351
 None
 1.23A 2nnpA-4xr9A:
undetectable		 2nnpA-4xr9A:
14.50
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 ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.53A 2nnpA-4ydfA:
13.1		 2nnpA-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.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		5 GLY A 263
ALA A 264
ASP A 265
ILE A 204
PRO A 148
 None
 0.96A 2nnpA-4zr8A:
undetectable		 2nnpA-4zr8A:
15.56
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  29
ASP A  30
THR A  80
PRO A  81
 None
 0.75A 2nnpA-5b18A:
17.6		 2nnpA-5b18A:
72.73
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  29
ASP A  30
GLY A  49
 None
 0.71A 2nnpA-5b18A:
17.6		 2nnpA-5b18A:
72.73
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  29
ASP A  30
THR A  80
 None
 0.52A 2nnpA-5b18A:
17.6		 2nnpA-5b18A:
72.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9u S-ADENOSYLMETHIONINE
SYNTHASE

(Thermus
thermophilus) 		no annotation 5 GLY C 253
ASP C  22
GLY C  15
THR C  73
VAL C  70
 None
 0.94A 2nnpA-5h9uC:
undetectable		 2nnpA-5h9uC:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens) 		PF01039
(Carboxyl_trans) 		5 GLY A 431
ALA A 432
ASP A 433
ILE A 410
ILE A 361
 None
 0.95A 2nnpA-5infA:
undetectable		 2nnpA-5infA:
14.76
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		5 GLY F  14
ILE F  60
GLY F  62
ILE E  17
PRO F 374
 None
None
None
None
NFU  F 501 (-3.5A)
 0.92A 2nnpA-5odrF:
undetectable		 2nnpA-5odrF:
13.90
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.
5ohs -

(-) 		no annotation 5 GLY A 454
GLY A 472
THR A 514
PRO A 515
VAL A 516
 None
 0.74A 2nnpA-5ohsA:
undetectable		 2nnpA-5ohsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ovk 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 123
ALA A 124
ILE A 146
GLY A  98
ILE A  99
 None
None
None
NDP  A 301 (-4.5A)
NDP  A 301 ( 4.9A)
 0.88A 2nnpA-5ovkA:
undetectable		 2nnpA-5ovkA:
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.
5ovl 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 GLY A 123
ALA A 124
ILE A 146
GLY A  98
ILE A  99
 None
None
NAP  A1001 (-4.6A)
NAP  A1001 (-3.4A)
NAP  A1001 (-4.5A)
 0.87A 2nnpA-5ovlA:
undetectable		 2nnpA-5ovlA:
20.00
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
THR A  80
 None
 0.64A 2nnpA-5t2zA:
19.7		 2nnpA-5t2zA:
79.80
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
THR A  80
PRO A  81
 None
 0.67A 2nnpA-5t2zA:
19.7		 2nnpA-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.
5u1w P2X PURINOCEPTOR

(Ailuropoda
melanoleuca) 		PF00864
(P2X_receptor) 		6 GLY A 117
ILE A 170
GLY A 146
ILE A 147
THR A 161
VAL A 153
 None
 1.22A 2nnpA-5u1wA:
undetectable		 2nnpA-5u1wA:
15.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		6 GLY A 110
ALA A 111
ASP A 112
ILE A  81
THR A  97
VAL A 102
 None
 1.33A 2nnpA-5uswA:
undetectable		 2nnpA-5uswA:
15.47
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.
5wug BETA-GLUCOSIDASE

(Paenibacillus
barengoltzii) 		no annotation 5 ALA A  43
ILE A 235
GLY A 232
ILE A 588
THR A 584
 None
 0.90A 2nnpA-5wugA:
undetectable		 2nnpA-5wugA:
20.18
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 ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
VAL A  99
 3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
None
 0.55A 2nnpA-6fivA:
15.1		 2nnpA-6fivA:
30.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  48
THR A  80
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
None
None
 0.97A 2nnpA-6upjA:
17.5		 2nnpA-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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
THR A  80
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
 0.85A 2nnpA-6upjA:
17.5		 2nnpA-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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
THR A  80
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
None
 0.45A 2nnpA-6upjA:
17.5		 2nnpA-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 GLY A  27
ASP A  29
ASP A  30
GLY A  49
ILE A  50
THR A  80
 NIU  A 100 (-4.5A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 1.03A 2nnpA-6upjA:
17.5		 2nnpA-6upjA:
48.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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