SIMILAR PATTERNS OF AMINO ACIDS FOR 3NU4_B_478B401_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a5z L-LACTATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A  98
ASP A  53
ILE A  52
ILE A 136
VAL A 127
 NAD  A 352 (-3.7A)
NAD  A 352 (-2.7A)
None
None
None
 1.05A 3nu4A-1a5zA:
undetectable		 3nu4A-1a5zA:
17.25
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.
1hn0 CHONDROITIN ABC
LYASE I

(Proteus
vulgaris) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		5 ALA A 736
GLY A 631
PRO A1012
VAL A 958
ILE A 943
 None
 1.09A 3nu4A-1hn0A:
undetectable		 3nu4A-1hn0A:
6.76
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 ASP A  25
ALA A  28
ASP A  30
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.72A 3nu4A-1hvcA:
14.0		 3nu4A-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 ASP A  25
ALA A  28
ASP A  30
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.63A 3nu4A-1hvcA:
14.0		 3nu4A-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 1.02A 3nu4A-1hvcA:
14.0		 3nu4A-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.82A 3nu4A-1hvcA:
14.0		 3nu4A-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 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.60A 3nu4A-1hvcA:
14.0		 3nu4A-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 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.52A 3nu4A-1hvcA:
14.0		 3nu4A-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.
1ion PROBABLE CELL
DIVISION INHIBITOR
MIND

(Pyrococcus
horikoshii) 		PF13614
(AAA_31) 		5 ASP A  38
ILE A  83
GLY A 210
ILE A 211
VAL A  81
 None
 1.01A 3nu4A-1ionA:
undetectable		 3nu4A-1ionA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iyx ENOLASE

(Enterococcus
hirae) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A  78
GLY A 112
ILE A 115
VAL A  83
ILE A   3
 None
 1.08A 3nu4A-1iyxA:
undetectable		 3nu4A-1iyxA:
12.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jqk CARBON MONOXIDE
DEHYDROGENASE

(Rhodospirillum
rubrum) 		PF03063
(Prismane) 		5 ALA A 277
ILE A 260
GLY A 292
ILE A 285
ILE A 384
 None
 1.05A 3nu4A-1jqkA:
undetectable		 3nu4A-1jqkA:
10.48
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.
1mlz 7,8-DIAMINO-PELARGON
IC ACID
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 ALA A 207
ASP A 268
ILE A 269
VAL A 116
ILE A 243
 None
 1.08A 3nu4A-1mlzA:
undetectable		 3nu4A-1mlzA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1olx 2-OXOISOVALERATE
DEHYDROGENASE BETA
SUBUNIT

(Homo sapiens) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA B 226
ASP B 253
ILE B 326
VAL B 237
ILE B 234
 None
 0.92A 3nu4A-1olxB:
undetectable		 3nu4A-1olxB:
16.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 0.64A 3nu4A-1q9pA:
10.0		 3nu4A-1q9pA:
98.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qqj FUMARYLACETOACETATE
HYDROLASE

(Mus musculus) 		PF01557
(FAA_hydrolase)
PF09298
(FAA_hydrolase_N) 		5 ALA A 312
ASP A 374
ILE A 373
GLY A 305
ILE A 314
 None
 1.07A 3nu4A-1qqjA:
undetectable		 3nu4A-1qqjA:
12.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
ILE A  32
ILE A  50
PRO A  81
ILE A  84
 None
 0.67A 3nu4A-1sivA:
18.5		 3nu4A-1sivA:
51.52
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 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 None
 0.88A 3nu4A-1sivA:
18.5		 3nu4A-1sivA:
51.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.40A 3nu4A-1sivA:
18.5		 3nu4A-1sivA:
51.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sxj ACTIVATOR 1 40 KDA
SUBUNIT
ACTIVATOR 1 41 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08542
(Rep_fac_C) 		5 ASP C 276
ALA C 273
ILE C 310
GLY D  65
ILE C 275
 None
 1.04A 3nu4A-1sxjC:
undetectable		 3nu4A-1sxjC:
14.41
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.
1szq 2-METHYLCITRATE
DEHYDRATASE

(Escherichia
coli) 		PF03972
(MmgE_PrpD) 		5 ALA A 299
ILE A 322
ILE A 354
VAL A 320
ILE A 407
 None
 1.02A 3nu4A-1szqA:
undetectable		 3nu4A-1szqA:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ttu LIN-12 AND GLP-1
TRANSCRIPTIONAL
REGULATOR

(Caenorhabditis
elegans) 		PF01833
(TIG)
PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		5 ILE A 242
GLY A 291
ILE A 292
PRO A 240
ILE A 219
 None
 0.94A 3nu4A-1ttuA:
undetectable		 3nu4A-1ttuA:
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.
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		5 ALA A 114
GLY A 247
ILE A 246
VAL A 232
ILE A 251
 None
 1.05A 3nu4A-1w25A:
undetectable		 3nu4A-1w25A:
13.93
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.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae) 		PF00232
(Glyco_hydro_1) 		5 ILE A 225
GLY A 195
PRO A 258
VAL A 259
ILE A 223
 None
 0.96A 3nu4A-1wcgA:
undetectable		 3nu4A-1wcgA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xe1 HYPOTHETICAL PROTEIN
PF0907

(Pyrococcus
furiosus) 		PF14578
(GTP_EFTU_D4) 		5 ASP A  84
ALA A  80
ILE A  88
GLY A  27
ILE A  86
 None
 1.03A 3nu4A-1xe1A:
undetectable		 3nu4A-1xe1A:
25.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkg MAJOR MITE FECAL
ALLERGEN DER P 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		5 ILE A 222
GLY A 282
ILE A 267
VAL A 220
ILE A 293
 None
 1.03A 3nu4A-1xkgA:
undetectable		 3nu4A-1xkgA:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zz3 HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE

(Alcaligenaceae
bacterium FB188) 		PF00850
(Hist_deacetyl) 		5 ALA A 126
GLY A 302
ILE A 304
PRO A 258
VAL A 174
 None
 1.01A 3nu4A-1zz3A:
undetectable		 3nu4A-1zz3A:
13.98
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT

(Chlamydia
trachomatis) 		PF00268
(Ribonuc_red_sm) 		5 ASP A 236
ILE A 238
GLY A 194
ILE A 195
ILE A 303
 None
 0.99A 3nu4A-2aniA:
undetectable		 3nu4A-2aniA:
13.47
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		5 ALA A  51
ILE A  29
GLY A  73
PRO A 168
ILE A 119
 None
 1.03A 3nu4A-2f2aA:
undetectable		 3nu4A-2f2aA:
12.55
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.
2fg5 RAS-RELATED PROTEIN
RAB-31

(Homo sapiens) 		PF00071
(Ras) 		5 ALA A 116
ILE A 155
GLY A 161
VAL A  22
ILE A  21
 None
 1.06A 3nu4A-2fg5A:
undetectable		 3nu4A-2fg5A:
17.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  54
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 1.08A 3nu4A-2fmbA:
14.9		 3nu4A-2fmbA:
33.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.53A 3nu4A-2fmbA:
14.9		 3nu4A-2fmbA:
33.96
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.
2glw 92AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		no annotation 5 ALA A  54
GLY A  60
ILE A  18
VAL A  82
ILE A  37
 None
 0.98A 3nu4A-2glwA:
undetectable		 3nu4A-2glwA:
24.27
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.
2hn1 MAGNESIUM AND COBALT
TRANSPORTER

(Archaeoglobus
fulgidus) 		PF01544
(CorA) 		5 ALA A  79
ILE A  95
GLY A  86
VAL A  69
ILE A  78
 None
 1.10A 3nu4A-2hn1A:
undetectable		 3nu4A-2hn1A:
15.41
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.
2o1s 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Escherichia
coli) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		5 ASP A  77
ALA A 154
ASP A 152
GLY A 158
ILE A 150
 None
TDP  A3001 (-3.6A)
MG  A1001 ( 2.7A)
None
None
 1.01A 3nu4A-2o1sA:
undetectable		 3nu4A-2o1sA:
10.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qq1 MOLYBDENUM COFACTOR
BIOSYNTHESIS MOG

(Aquifex
aeolicus) 		PF00994
(MoCF_biosynth) 		5 ALA A   6
ILE A  38
GLY A   9
ILE A  72
ILE A 164
 None
 0.70A 3nu4A-2qq1A:
undetectable		 3nu4A-2qq1A:
22.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
ILE A  32
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.51A 3nu4A-2rkfA:
20.7		 3nu4A-2rkfA:
83.84
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) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.81A 3nu4A-2rkfA:
20.7		 3nu4A-2rkfA:
83.84
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
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.62A 3nu4A-2rkfA:
20.7		 3nu4A-2rkfA:
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.
2v7y CHAPERONE PROTEIN
DNAK

(Geobacillus
kaustophilus) 		PF00012
(HSP70) 		5 ASP A   8
ILE A   7
GLY A 348
ILE A 351
ILE A 114
 MG  A1507 ( 4.1A)
None
None
None
None
 0.99A 3nu4A-2v7yA:
undetectable		 3nu4A-2v7yA:
12.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vd3 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Methanothermobacter
thermautotrophicus) 		PF01634
(HisG)
PF08029
(HisG_C) 		5 ALA A 114
ASP A 134
ILE A 133
ILE A 156
ILE A 110
 None
IMD  A1288 (-3.8A)
None
None
None
 0.96A 3nu4A-2vd3A:
undetectable		 3nu4A-2vd3A:
18.73
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.88A 3nu4A-2y23A:
undetectable		 3nu4A-2y23A:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y6p 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE

(Aquifex
aeolicus) 		PF02348
(CTP_transf_3) 		5 ALA A   9
ASP A  95
ILE A  45
VAL A  57
ILE A  30
 CTP  A1233 (-4.4A)
MG  A1234 ( 2.6A)
None
None
None
 0.98A 3nu4A-2y6pA:
undetectable		 3nu4A-2y6pA:
17.67
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.
2yg6 PUTRESCINE OXIDASE

(Rhodococcus
erythropolis) 		PF01593
(Amino_oxidase) 		5 ALA A 249
ASP A 250
GLY A  12
ILE A  10
ILE A 253
 None
None
FAD  A 600 (-3.3A)
None
None
 1.08A 3nu4A-2yg6A:
undetectable		 3nu4A-2yg6A:
12.17
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.
3cjm PUTATIVE
BETA-LACTAMASE

(Enterococcus
faecalis) 		PF13354
(Beta-lactamase2) 		5 ASP A 234
ILE A 232
GLY A 269
PRO A 113
ILE A 166
 None
 1.02A 3nu4A-3cjmA:
undetectable		 3nu4A-3cjmA:
13.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ics COENZYME A-DISULFIDE
REDUCTASE

(Bacillus
anthracis) 		PF00581
(Rhodanese)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ILE A 490
GLY A 470
PRO A 505
VAL A 504
ILE A 473
 None
 1.02A 3nu4A-3icsA:
undetectable		 3nu4A-3icsA:
10.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3klj NAD(FAD)-DEPENDENT
DEHYDROGENASE,
NIRB-FAMILY
(N-TERMINAL DOMAIN)

(Clostridium
acetobutylicum) 		PF07992
(Pyr_redox_2) 		5 ASP A 129
ILE A 133
GLY A 152
ILE A 153
ILE A  49
 None
 1.08A 3nu4A-3kljA:
undetectable		 3nu4A-3kljA:
12.24
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.
3kwe CARBON DIOXIDE
CONCENTRATING
MECHANISM PROTEIN

(Thermosynechococcus
elongatus) 		PF00132
(Hexapep) 		5 ALA A 110
ILE A  94
GLY A 130
ILE A 146
ILE A 106
 None
 1.07A 3nu4A-3kweA:
undetectable		 3nu4A-3kweA:
19.60
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.
3kzg ARGININE 3RD
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN

(Legionella
pneumophila) 		PF00497
(SBP_bac_3) 		5 ASP A  46
ILE A 211
GLY A 208
ILE A  88
ILE A  84
 None
 0.98A 3nu4A-3kzgA:
undetectable		 3nu4A-3kzgA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzg ARGININE 3RD
TRANSPORT SYSTEM
PERIPLASMIC BINDING
PROTEIN

(Legionella
pneumophila) 		PF00497
(SBP_bac_3) 		5 ASP A  46
ILE A 211
GLY A 208
ILE A  88
VAL A  83
 None
 1.09A 3nu4A-3kzgA:
undetectable		 3nu4A-3kzgA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l4g PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Homo sapiens) 		PF01409
(tRNA-synt_2d)
PF03483
(B3_4)
PF03484
(B5) 		5 ASP A 379
GLY B 319
ILE B 377
PRO A 415
ILE A 455
 None
 1.05A 3nu4A-3l4gA:
undetectable		 3nu4A-3l4gA:
13.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.57A 3nu4A-3mwsA:
20.2		 3nu4A-3mwsA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 0.92A 3nu4A-3mwsA:
20.2		 3nu4A-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.
3nrn UNCHARACTERIZED
PROTEIN PF1083

(Pyrococcus
furiosus) 		PF01593
(Amino_oxidase) 		5 ALA A   8
ILE A 192
GLY A  16
ILE A  26
ILE A  35
 AMP  A 422 ( 4.7A)
None
None
None
None
 1.10A 3nu4A-3nrnA:
undetectable		 3nu4A-3nrnA:
12.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
ALA A  28
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.66A 3nu4A-3ttpA:
19.6		 3nu4A-3ttpA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.88A 3nu4A-3ttpA:
19.6		 3nu4A-3ttpA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u1t DMMA HALOALKANE
DEHALOGENASE

(unidentified) 		PF00561
(Abhydrolase_1) 		5 ASP A 127
ASP A 121
GLY A 146
ILE A 142
PRO A 102
 None
 1.03A 3nu4A-3u1tA:
undetectable		 3nu4A-3u1tA:
15.10
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.
3u27 MICROCOMPARTMENTS
PROTEIN

(Leptotrichia
buccalis) 		no annotation 5 ALA C  50
GLY C  65
ILE C  86
VAL C  10
ILE C 106
 None
 1.07A 3nu4A-3u27C:
undetectable		 3nu4A-3u27C:
19.09
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) 		5 ASP A  25
ALA A  28
ASP A  30
ILE A  32
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
None
017  A 202 (-4.0A)
 0.54A 3nu4A-3u7sA:
19.8		 3nu4A-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) 		6 ASP A  25
ALA A  28
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.73A 3nu4A-3u7sA:
19.8		 3nu4A-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) 		5 ASP A  25
ALA A  28
ILE A  32
PRO A  81
VAL A  82
 None
 0.69A 3nu4A-3uhlA:
16.1		 3nu4A-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.
4axo ETHANOLAMINE
UTILIZATION PROTEIN

(Clostridioides
difficile) 		PF06249
(EutQ) 		5 ALA A 120
ASP A 110
ILE A 111
ILE A 145
ILE A 126
 None
 1.04A 3nu4A-4axoA:
undetectable		 3nu4A-4axoA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 ALA A 180
ILE A 125
ILE A 135
VAL A 143
ILE A 144
 None
 1.04A 3nu4A-4c2tA:
undetectable		 3nu4A-4c2tA:
10.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		6 ALA A 180
ILE A 125
GLY A 130
ILE A 135
VAL A 143
ILE A 144
 None
 1.11A 3nu4A-4c30A:
undetectable		 3nu4A-4c30A:
11.71
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.
4czb NA(+)/H(+)
ANTIPORTER 1

(Methanocaldococcus
jannaschii) 		PF00999
(Na_H_Exchanger) 		5 ASP A  31
ILE A 137
PRO A 346
VAL A 398
ILE A  32
 None
 1.07A 3nu4A-4czbA:
undetectable		 3nu4A-4czbA:
13.49
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.
4drt DE NOVO DESIGNED
SERINE HYDROLASE,
OR89

(synthetic
construct) 		PF00768
(Peptidase_S11)
PF07943
(PBP5_C) 		5 ALA A  76
GLY A 112
ILE A 107
VAL A  98
ILE A  72
 None
 1.06A 3nu4A-4drtA:
undetectable		 3nu4A-4drtA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		5 ALA A  40
GLY A  33
ILE A  32
VAL A  79
ILE A  52
 None
GOL  A 401 ( 4.1A)
None
None
None
 1.08A 3nu4A-4gm6A:
undetectable		 3nu4A-4gm6A:
15.62
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.
4is4 GLUTAMINE SYNTHETASE

(Medicago
truncatula) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ALA A 174
ASP A 170
ILE A 171
ILE A 186
ILE A 224
 None
 0.99A 3nu4A-4is4A:
undetectable		 3nu4A-4is4A:
15.24
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.
4jqp 4-HYDROXYTHREONINE-4
-PHOSPHATE
DEHYDROGENASE

(Paraburkholderia
phymatum) 		PF04166
(PdxA) 		5 ASP A 128
GLY A 210
ILE A 211
VAL A 300
ILE A 305
 None
 1.08A 3nu4A-4jqpA:
undetectable		 3nu4A-4jqpA:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nge PRESEQUENCE
PROTEASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		6 ALA D 955
ASP D 951
ILE D 952
ILE D 565
VAL D 996
ILE D 885
 None
None
None
None
None
MLY  D 884 ( 4.0A)
 1.31A 3nu4A-4ngeD:
undetectable		 3nu4A-4ngeD:
8.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.46A 3nu4A-4njvA:
20.9		 3nu4A-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) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.81A 3nu4A-4njvA:
20.9		 3nu4A-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.
4ose PUTATIVE HYDROLASE

(Rickettsia
typhi) 		PF00561
(Abhydrolase_1) 		5 ALA A 122
ILE A 234
GLY A 115
ILE A 116
ILE A 230
 None
 0.95A 3nu4A-4oseA:
undetectable		 3nu4A-4oseA:
17.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  30
ILE A  32
PRO A  81
ILE A  84
 None
 0.68A 3nu4A-5b18A:
17.9		 3nu4A-5b18A:
74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N)
PF17147
(PFOR_II) 		5 ILE A 403
GLY A 367
PRO A 401
VAL A 337
ILE A 339
 None
 0.97A 3nu4A-5b47A:
undetectable		 3nu4A-5b47A:
10.17
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.
5b48 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
ALPHA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01558
(POR)
PF01855
(POR_N) 		5 ILE A 403
GLY A 367
PRO A 401
VAL A 337
ILE A 339
 None
 1.01A 3nu4A-5b48A:
undetectable		 3nu4A-5b48A:
10.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5boe ENOLASE

(Staphylococcus
aureus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A  79
GLY A 115
ILE A 118
VAL A  86
ILE A   4
 None
 1.09A 3nu4A-5boeA:
undetectable		 3nu4A-5boeA:
15.35
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79

(Burkholderia
pseudomallei) 		PF12891
(Glyco_hydro_44) 		5 ALA A 330
ASP A 444
ILE A 324
VAL A 364
ILE A 362
 None
 0.97A 3nu4A-5bwiA:
undetectable		 3nu4A-5bwiA:
13.48
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.
5d3m ENERGY-COUPLING
FACTOR TRANSPORTER
ATP-BINDING PROTEIN
ECFA1

(Lactobacillus
delbrueckii) 		PF00005
(ABC_tran) 		5 ALA A 153
GLY A  87
ILE A 166
VAL A 186
ILE A 154
 None
 1.00A 3nu4A-5d3mA:
undetectable		 3nu4A-5d3mA:
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.
5dzs SHIKIMATE
DEHYDROGENASE
(NADP(+))

(Clostridioides
difficile) 		PF08501
(Shikimate_dh_N) 		5 ILE A 221
ILE A 207
PRO A 194
VAL A 195
ILE A 200
 None
 1.02A 3nu4A-5dzsA:
undetectable		 3nu4A-5dzsA:
20.31
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.
5e24 SUPPRESSOR OF
HAIRLESS PROTEIN

(Drosophila
melanogaster) 		PF09270
(BTD)
PF09271
(LAG1-DNAbind) 		5 ILE E 147
GLY E 178
ILE E 179
PRO E 145
ILE E 124
 None
 0.98A 3nu4A-5e24E:
undetectable		 3nu4A-5e24E:
14.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h4s L-RHAMNOSE-BINDING
LECTIN

(Toxopneustes
pileolus) 		PF02140
(Gal_Lectin) 		5 ALA A  26
ILE A  54
GLY A  29
VAL A  67
ILE A  55
 None
 1.08A 3nu4A-5h4sA:
undetectable		 3nu4A-5h4sA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h9p GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 ALA A 156
ASP A 154
GLY A 235
VAL A 126
ILE A 231
 None
 1.06A 3nu4A-5h9pA:
undetectable		 3nu4A-5h9pA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5huq LACTATE RACEMIZATION
OPERON PROTEIN LARA

(Lactobacillus
plantarum) 		PF09861
(DUF2088) 		5 ALA A 360
ASP A 356
ILE A 354
GLY A 202
ILE A 346
 None
 1.09A 3nu4A-5huqA:
undetectable		 3nu4A-5huqA:
13.99
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.
5ila PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		PF13365
(Trypsin_2) 		5 ASP A 240
ILE A 158
PRO A 281
VAL A 233
ILE A 242
 None
 1.10A 3nu4A-5ilaA:
undetectable		 3nu4A-5ilaA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n0c TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 ASP A 634
ILE A 633
ILE A 795
VAL A 670
ILE A 636
 None
 1.00A 3nu4A-5n0cA:
undetectable		 3nu4A-5n0cA:
5.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 ALA B 925
ASP B 928
ILE B 927
GLY B 131
ILE B 129
 None
 1.06A 3nu4A-5nd1B:
undetectable		 3nu4A-5nd1B:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfb GALECTIN-3

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 ALA A 156
ASP A 154
GLY A 235
VAL A 126
ILE A 231
 None
 1.06A 3nu4A-5nfbA:
undetectable		 3nu4A-5nfbA:
17.61
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.
5nva PUTATIVE
SODIUM:SOLUTE
SYMPORTER

(Proteus
mirabilis) 		no annotation 5 ALA A 392
ILE A 162
GLY A 385
ILE A 386
ILE A 159
 None
 1.03A 3nu4A-5nvaA:
undetectable		 3nu4A-5nvaA:
19.27
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) 		5 ASP A  25
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 0.43A 3nu4A-5t2zA:
20.1		 3nu4A-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) 		6 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.49A 3nu4A-5t2zA:
20.1		 3nu4A-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.
5uc7 ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(environmental
samples) 		PF00202
(Aminotran_3) 		5 ALA A 207
ASP A 268
ILE A 269
VAL A 116
ILE A 243
 None
 1.09A 3nu4A-5uc7A:
undetectable		 3nu4A-5uc7A:
13.79
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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 5 ALA A 514
ILE A 471
GLY A 508
ILE A 507
ILE A 476
 None
 1.09A 3nu4A-5ve8A:
undetectable		 3nu4A-5ve8A:
7.58
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.
5xyi UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00366
(Ribosomal_S17)
PF16205
(Ribosomal_S17_N) 		5 ALA L 124
ILE L  36
ILE L 109
VAL L  62
ILE L  64
 None
None
None
None
G  2 188 ( 4.9A)
 1.08A 3nu4A-5xyiL:
undetectable		 3nu4A-5xyiL:
21.92
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.
6b3e CYCLIN-DEPENDENT
KINASE 12

(Homo sapiens) 		no annotation 5 ALA A 993
ASP A 995
GLY A 923
ILE A 925
ILE A 989
 None
 0.96A 3nu4A-6b3eA:
undetectable		 3nu4A-6b3eA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d4j PROTEIN PATCHED
HOMOLOG 1

(Homo sapiens) 		no annotation 5 ALA A1080
ILE A 565
GLY A1023
ILE A1022
ILE A 567
 None
 1.06A 3nu4A-6d4jA:
undetectable		 3nu4A-6d4jA:
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.
6ekv TOXIN COMPLEX
COMPONENT ORF-X2

(Clostridium
botulinum) 		no annotation 5 ALA A 675
ILE A 524
GLY A 668
ILE A 690
ILE A 701
 None
 0.84A 3nu4A-6ekvA:
undetectable		 3nu4A-6ekvA:
9.86
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 ASP A  30
ALA A  33
ILE A  37
GLY A  58
VAL A  99
 3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 ( 4.8A)
3TL  A 201 (-3.4A)
None
 0.93A 3nu4A-6fivA:
15.4		 3nu4A-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) 		6 ASP A  25
ALA A  28
ASP A  30
ILE A  32
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
None
 0.58A 3nu4A-6upjA:
17.9		 3nu4A-6upjA:
50.51
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) 		5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
 0.95A 3nu4A-6upjA:
17.9		 3nu4A-6upjA:
50.51
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) 		5 ASP A  25
ALA A  28
GLY A  49
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
None
None
 0.78A 3nu4A-6upjA:
17.9		 3nu4A-6upjA:
50.51