SIMILAR PATTERNS OF AMINO ACIDS FOR 3NU9_A_478A401

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.
1ad1 DIHYDROPTEROATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00809
(Pterin_bind) 		4 ASP A 104
VAL A 126
ILE A 170
VAL A 196
 None
 0.57A 3nu9A-1ad1A:
undetectable		 3nu9A-1ad1A:
16.98
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.
1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		4 ALA A 287
GLY A 424
ILE A 425
PRO A 376
 None
 0.76A 3nu9A-1ao0A:
undetectable		 3nu9A-1ao0A:
16.13
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.
1fgv H52 FV (HEAVY CHAIN)

(Homo sapiens) 		PF07686
(V-set) 		4 ASP H  62
VAL H  64
GLY H  50
ILE H  51
 ASP  H  62 ( 0.5A)
VAL  H  64 ( 0.6A)
GLY  H  50 ( 0.0A)
ILE  H  51 ( 0.7A)
 0.77A 3nu9A-1fgvH:
undetectable		 3nu9A-1fgvH:
21.09
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
ASP A  30
VAL A  32
PRO A  81
VAL A  82
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.48A 3nu9A-1hvcA:
14.0		 3nu9A-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
ASP A  30
VAL A  32
PRO A  81
VAL A  82
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
 0.58A 3nu9A-1hvcA:
14.0		 3nu9A-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
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 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 ( 3.9A)
 0.45A 3nu9A-1hvcA:
14.0		 3nu9A-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
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
 0.41A 3nu9A-1hvcA:
14.0		 3nu9A-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
VAL A  32
GLY A  49
PRO A  81
VAL A  82
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.48A 3nu9A-1hvcA:
14.0		 3nu9A-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
VAL A  32
GLY A  49
PRO A  81
VAL A  82
 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 (-4.5A)
 0.54A 3nu9A-1hvcA:
14.0		 3nu9A-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.
1jae ALPHA-AMYLASE

(Tenebrio
molitor) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C) 		4 ASP A 176
VAL A 179
ILE A 168
PRO A 217
 None
 0.76A 3nu9A-1jaeA:
undetectable		 3nu9A-1jaeA:
13.08
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.
1k3k FUNCTIONAL
ANTI-APOPTOTIC
FACTOR VBCL-2
HOMOLOG

(Human
gammaherpesvirus
8) 		PF00452
(Bcl-2) 		4 ALA A 111
ASP A 109
GLY A  15
ILE A  16
 None
 0.74A 3nu9A-1k3kA:
undetectable		 3nu9A-1k3kA:
21.09
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.
1p1v SUPEROXIDE DISMUTASE
[CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		4 ASP A  96
VAL A  87
GLY A  16
ILE A  17
 None
 0.73A 3nu9A-1p1vA:
undetectable		 3nu9A-1p1vA:
22.48
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 ALA A 129
GLY A 115
ILE A 209
VAL A 191
 None
 0.00A 3nu9A-1q5aA:
undetectable		 3nu9A-1q5aA:
8.78
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
VAL A  32
PRO A  81
 None
 0.61A 3nu9A-1q9pA:
10.2		 3nu9A-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) 		4 ASP A  25
ALA A  28
ASP A  30
PRO A  81
 None
 0.64A 3nu9A-1sivA:
18.4		 3nu9A-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 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 None
 0.27A 3nu9A-1sivA:
18.4		 3nu9A-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.
1sng COG4826: SERINE
PROTEASE INHIBITOR

(Thermobifida
fusca) 		PF00079
(Serpin) 		4 ALA A 359
GLY A 356
ILE A  33
VAL A  27
 None
 0.70A 3nu9A-1sngA:
undetectable		 3nu9A-1sngA:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tki TITIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A  61
VAL A  65
GLY A  36
ILE A  37
 None
 0.76A 3nu9A-1tkiA:
undetectable		 3nu9A-1tkiA:
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ALA B 384
ASP B 292
GLY B 252
ILE B   5
 None
 0.67A 3nu9A-1tqyB:
undetectable		 3nu9A-1tqyB:
11.19
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.
1u7w COENZYME A
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
COABC

(Escherichia
coli) 		PF04127
(DFP) 		4 ASP A 309
VAL A 314
GLY A 326
ILE A 350
 CTP  A 500 (-4.1A)
None
CTP  A 500 (-3.6A)
None
 0.75A 3nu9A-1u7wA:
undetectable		 3nu9A-1u7wA:
18.30
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		4 ALA C 251
VAL C 114
ILE C 238
VAL C 109
 None
 0.67A 3nu9A-1usyC:
undetectable		 3nu9A-1usyC:
16.08
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.
1wop AMINOMETHYLTRANSFERA
SE

(Thermotoga
maritima) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 ALA A 348
GLY A 333
ILE A 332
VAL A 326
 None
 0.78A 3nu9A-1wopA:
undetectable		 3nu9A-1wopA:
14.65
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.
1yp4 GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE
SMALL SUBUNIT

(Solanum
tuberosum) 		PF00483
(NTP_transferase) 		4 ALA A 143
ASP A 145
GLY A 255
ILE A 259
 ADP  A 557 (-3.5A)
ADP  A 557 (-3.2A)
ADP  A 557 (-3.6A)
None
 0.77A 3nu9A-1yp4A:
undetectable		 3nu9A-1yp4A:
12.56
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.
2d1g ACID PHOSPHATASE

(Francisella
tularensis) 		PF04185
(Phosphoesterase) 		4 ALA A  25
GLY A 312
ILE A 311
VAL A  38
 None
 0.70A 3nu9A-2d1gA:
undetectable		 3nu9A-2d1gA:
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.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		4 ALA A  69
ASP A  67
GLY A 167
ILE A 168
 None
 0.65A 3nu9A-2d4eA:
undetectable		 3nu9A-2d4eA:
11.51
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) 		5 ASP A  25
ALA A  28
VAL A  32
GLY A  55
PRO A  86
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.33A 3nu9A-2fmbA:
15.0		 3nu9A-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) 		5 ASP A  25
ALA A  28
VAL A  32
PRO A  86
VAL A  87
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
 0.64A 3nu9A-2fmbA:
15.0		 3nu9A-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.
2hc8 CATION-TRANSPORTING
ATPASE, P-TYPE

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 0.82A 3nu9A-2hc8A:
undetectable		 3nu9A-2hc8A:
21.24
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		4 ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.58A 3nu9A-2isqA:
undetectable		 3nu9A-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.
2okj GLUTAMATE
DECARBOXYLASE 1

(Homo sapiens) 		PF00282
(Pyridoxal_deC) 		4 ASP A 243
GLY A 246
ILE A 416
VAL A 237
 None
 0.79A 3nu9A-2okjA:
undetectable		 3nu9A-2okjA:
12.70
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.
2p3e DIAMINOPIMELATE
DECARBOXYLASE

(Aquifex
aeolicus) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 ALA A 355
VAL A 371
GLY A 345
ILE A 308
 None
 0.77A 3nu9A-2p3eA:
undetectable		 3nu9A-2p3eA:
11.67
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.
2q3o 12-OXOPHYTODIENOATE
REDUCTASE 3

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		4 ASP A 338
GLY A 236
ILE A 185
PRO A  31
 None
None
None
FMN  A7401 (-4.3A)
 0.75A 3nu9A-2q3oA:
undetectable		 3nu9A-2q3oA:
13.78
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) 		4 ASP A  25
ALA A  28
ASP A  30
PRO A  81
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.62A 3nu9A-2rkfA:
20.8		 3nu9A-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) 		4 ASP A  25
ALA A  28
GLY A  49
ILE A  50
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.39A 3nu9A-2rkfA:
20.8		 3nu9A-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) 		4 ASP A  25
ALA A  28
ILE A  50
PRO A  81
 AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.30A 3nu9A-2rkfA:
20.8		 3nu9A-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.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		4 ASP A 233
VAL A 329
GLY A 364
VAL A 346
 None
 0.70A 3nu9A-2xsjA:
undetectable		 3nu9A-2xsjA:
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.
2xy3 SPBC2
PROPHAGE-DERIVED
DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE
YOSS

(Bacillus
subtilis) 		PF00692
(dUTPase) 		4 ASP A   9
VAL A  46
GLY A 105
PRO A  43
 None
 0.77A 3nu9A-2xy3A:
undetectable		 3nu9A-2xy3A:
16.55
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		4 ASP A1401
GLY A1409
ILE A1410
VAL A1428
 None
 0.77A 3nu9A-2y23A:
undetectable		 3nu9A-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.
2ywm GLUTAREDOXIN-LIKE
PROTEIN

(Aquifex
aeolicus) 		PF13192
(Thioredoxin_3) 		4 VAL A 172
GLY A 112
ILE A 113
PRO A 101
 None
 0.64A 3nu9A-2ywmA:
undetectable		 3nu9A-2ywmA:
20.54
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.
2z04 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
ATPASE SUBUNIT

(Aquifex
aeolicus) 		PF02222
(ATP-grasp) 		4 ASP A  56
GLY A   5
ILE A   6
VAL A  72
 None
 0.61A 3nu9A-2z04A:
undetectable		 3nu9A-2z04A:
14.56
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.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 ASP A 245
VAL A 247
ILE A 197
PRO A 250
 None
 0.75A 3nu9A-2z81A:
undetectable		 3nu9A-2z81A:
11.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c3p METHYLTRANSFERASE

(Geobacter
sulfurreducens) 		PF01596
(Methyltransf_3) 		4 ASP A 134
VAL A 158
GLY A  65
ILE A  36
 None
None
EDO  A 215 ( 4.2A)
None
 0.76A 3nu9A-3c3pA:
undetectable		 3nu9A-3c3pA:
17.89
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.
3c8l FTSZ-LIKE PROTEIN OF
UNKNOWN FUNCTION

(Nostoc
punctiforme) 		PF09585
(Lin0512_fam) 		4 VAL A  67
GLY A  13
ILE A  14
PRO A  62
 None
CL  A 124 ( 3.7A)
CL  A 124 (-4.4A)
None
 0.72A 3nu9A-3c8lA:
undetectable		 3nu9A-3c8lA:
24.60
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.
3djl PROTEIN AIDB

(Escherichia
coli) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 ALA A 224
GLY A 278
ILE A 277
PRO A 152
 None
 0.71A 3nu9A-3djlA:
undetectable		 3nu9A-3djlA:
11.13
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.
3ebv CHINITASE A

(Streptomyces
coelicolor) 		PF00704
(Glyco_hydro_18) 		4 ALA A   6
VAL A 175
GLY A   9
ILE A  33
 None
 0.77A 3nu9A-3ebvA:
undetectable		 3nu9A-3ebvA:
14.09
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.
3h2s PUTATIVE NADH-FLAVIN
REDUCTASE

(Lactobacillus
paracasei) 		PF13460
(NAD_binding_10) 		4 ASP A  33
VAL A  31
GLY A  42
VAL A   5
 None
 0.63A 3nu9A-3h2sA:
undetectable		 3nu9A-3h2sA:
21.54
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.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 0.90A 3nu9A-3j08A:
undetectable		 3nu9A-3j08A:
9.75
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
 None
 0.87A 3nu9A-3j09A:
undetectable		 3nu9A-3j09A:
8.96
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.
3kgl CRUCIFERIN

(Brassica napus) 		PF00190
(Cupin_1) 		4 ASP A 365
VAL A 360
PRO A 338
VAL A 387
 None
 0.71A 3nu9A-3kglA:
undetectable		 3nu9A-3kglA:
10.63
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.
3kol GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Nostoc
punctiforme) 		PF00903
(Glyoxalase) 		4 ALA A  65
ASP A  76
GLY A  38
PRO A 141
 None
 0.78A 3nu9A-3kolA:
undetectable		 3nu9A-3kolA:
19.23
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.
3kve L-AMINO ACID OXIDASE

(Vipera
ammodytes) 		PF01593
(Amino_oxidase) 		4 ASP A 423
ALA A 426
GLY A  42
PRO A  88
 None
FAD  A 487 ( 4.6A)
FAD  A 487 (-3.4A)
FAD  A 487 (-3.8A)
 0.70A 3nu9A-3kveA:
undetectable		 3nu9A-3kveA:
12.82
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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 ALA A 219
ASP A 264
VAL A 314
ILE A  90
 None
 0.76A 3nu9A-3lk6A:
undetectable		 3nu9A-3lk6A:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lmz PUTATIVE SUGAR
ISOMERASE

(Parabacteroides
distasonis) 		PF01261
(AP_endonuc_2) 		4 ASP A 221
VAL A 219
GLY A 161
ILE A 164
 None
 0.78A 3nu9A-3lmzA:
undetectable		 3nu9A-3lmzA:
16.32
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
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 None
 0.46A 3nu9A-3mwsA:
19.8		 3nu9A-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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		4 ASP A  32
ALA A  35
VAL A  39
GLY A  56
 3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.45A 3nu9A-3slzA:
11.1		 3nu9A-3slzA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		4 ASP A  32
ALA A  35
VAL A  39
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.55A 3nu9A-3slzA:
11.1		 3nu9A-3slzA:
25.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ssm METHYLTRANSFERASE

(Micromonospora
griseorubida) 		no annotation 4 ALA A 145
ASP A  56
GLY A 140
ILE A 139
 None
 0.77A 3nu9A-3ssmA:
undetectable		 3nu9A-3ssmA:
13.13
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) 		4 ASP A  25
ALA A  28
ASP A  30
VAL A  32
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
 0.57A 3nu9A-3t3cA:
18.3		 3nu9A-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) 		4 ASP A  25
ALA A  28
GLY A  49
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.51A 3nu9A-3t3cA:
18.3		 3nu9A-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) 		4 ASP A  25
ALA A  28
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
None
 0.73A 3nu9A-3t3cA:
18.3		 3nu9A-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) 		4 ASP A  25
ALA A  28
VAL A  32
ILE A  50
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-3.3A)
 0.55A 3nu9A-3t3cA:
18.3		 3nu9A-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) 		4 ASP A  25
ALA A  28
VAL A  32
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
None
 0.55A 3nu9A-3t3cA:
18.3		 3nu9A-3t3cA:
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.
3tpk IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN KW1

(Camelidae) 		PF07686
(V-set) 		4 ASP A  62
VAL A  64
GLY A  50
ILE A  51
 None
 0.78A 3nu9A-3tpkA:
undetectable		 3nu9A-3tpkA:
20.00
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
ASP A  30
GLY A  49
PRO A  81
 017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
 0.57A 3nu9A-3ttpA:
19.6		 3nu9A-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) 		5 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 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)
 0.49A 3nu9A-3ttpA:
19.6		 3nu9A-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) 		4 ASP A  25
ALA A  28
ASP A  30
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-4.0A)
 0.51A 3nu9A-3u7sA:
19.7		 3nu9A-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) 		5 ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
 017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.49A 3nu9A-3u7sA:
19.7		 3nu9A-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) 		4 ASP A  25
ALA A  28
PRO A  81
VAL A  82
 None
 0.72A 3nu9A-3uhlA:
15.8		 3nu9A-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.
3vss BETA-FRUCTOFURANOSID
ASE

(Microbacterium
saccharophilum) 		PF02435
(Glyco_hydro_68) 		4 ASP A 282
GLY A 342
ILE A 341
PRO A 362
 FRU  A 601 (-3.1A)
None
None
None
 0.77A 3nu9A-3vssA:
undetectable		 3nu9A-3vssA:
10.04
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.
3wgh REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX

(Thermoanaerobacter
ethanolicus) 		PF02629
(CoA_binding)
PF06971
(Put_DNA-bind_N) 		4 ALA A 163
VAL A 184
GLY A 150
ILE A 151
 None
 0.77A 3nu9A-3wghA:
undetectable		 3nu9A-3wghA:
19.81
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.
4a3x EPA1P

([Candida]
glabrata) 		PF10528
(GLEYA) 		4 ALA A 163
ASP A 165
ILE A 109
VAL A 169
 None
LAT  A1269 ( 2.5A)
None
None
 0.72A 3nu9A-4a3xA:
undetectable		 3nu9A-4a3xA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4asl EPA1P

([Candida]
glabrata) 		PF10528
(GLEYA) 		4 ALA A 163
ASP A 165
ILE A 109
VAL A 169
 None
GAL  A 302 ( 2.5A)
None
None
 0.71A 3nu9A-4aslA:
undetectable		 3nu9A-4aslA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c57 NANOBODY

(Lama glama) 		PF07686
(V-set) 		4 ASP C  69
VAL C  71
GLY C  55
ILE C  56
 None
 0.77A 3nu9A-4c57C:
undetectable		 3nu9A-4c57C:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4coy EPITHELIAL ADHESIN 6

([Candida]
glabrata) 		PF10528
(GLEYA) 		4 ALA A 163
ASP A 165
ILE A 109
VAL A 169
 None
GAL  A1271 ( 2.4A)
None
None
 0.73A 3nu9A-4coyA:
undetectable		 3nu9A-4coyA:
18.61
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.
4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ASP A 229
ASP A 235
VAL A 233
GLY A 257
ILE A 222
 None
 1.02A 3nu9A-4cqlA:
undetectable		 3nu9A-4cqlA:
16.35
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.
4cso ORFY PROTEIN,
TRANSCRIPTION FACTOR

(Thermoproteus
tenax) 		no annotation 4 ASP A  98
ALA A  94
GLY A 166
PRO A  43
 None
 0.77A 3nu9A-4csoA:
undetectable		 3nu9A-4csoA:
16.51
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.
4fc3 IRON-REGULATED
SURFACE DETERMINANT
PROTEIN H

(Staphylococcus
aureus) 		PF05031
(NEAT) 		4 ALA E  55
ASP E  33
ILE E  65
VAL E 115
 None
 0.78A 3nu9A-4fc3E:
undetectable		 3nu9A-4fc3E:
20.25
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.
4fql MONOCLONAL ANTIBODY
CR8033 HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP H  61
VAL H  63
GLY H  50
ILE H  51
 None
 0.74A 3nu9A-4fqlH:
undetectable		 3nu9A-4fqlH:
15.25
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.
4gft NANOBODY

(Lama glama) 		PF07686
(V-set) 		4 ASP B  64
VAL B  66
GLY B  52
ILE B  53
 None
 0.78A 3nu9A-4gftB:
undetectable		 3nu9A-4gftB:
18.71
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.
4hic TRAK

(Enterococcus
faecalis) 		no annotation 4 VAL A 249
GLY A 268
ILE A 269
VAL A 306
 None
 0.73A 3nu9A-4hicA:
undetectable		 3nu9A-4hicA:
18.38
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.
4hyq PHOSPHOLIPASE A1

(Streptomyces
albidoflavus) 		PF13472
(Lipase_GDSL_2) 		4 ASP A  49
GLY A   9
ILE A  80
VAL A 137
 None
 0.75A 3nu9A-4hyqA:
undetectable		 3nu9A-4hyqA:
18.14
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.
4krm NANOBODY/VHH DOMAIN
7D12

(Lama glama) 		PF07686
(V-set) 		4 ASP B  62
VAL B  64
GLY B  50
ILE B  51
 None
 0.76A 3nu9A-4krmB:
undetectable		 3nu9A-4krmB:
20.61
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.
4m0p RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE 1

(Homo sapiens) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		4 ALA A 182
ASP A 188
ILE A 247
PRO A 170
 None
 0.75A 3nu9A-4m0pA:
undetectable		 3nu9A-4m0pA:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nd4 LACTATE
DEHYDROGENASE,
ADJACENT GENE
ENCODES PREDICTED
MALATE DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ALA A  46
VAL A  93
ILE A  39
VAL A  26
 None
 0.75A 3nu9A-4nd4A:
undetectable		 3nu9A-4nd4A:
16.14
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
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.42A 3nu9A-4njvA:
21.0		 3nu9A-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.
4ote LIPOPROTEIN

(Clostridioides
difficile) 		PF03180
(Lipoprotein_9) 		4 VAL A 201
GLY A 259
ILE A 262
PRO A  39
 None
 0.77A 3nu9A-4oteA:
undetectable		 3nu9A-4oteA:
18.50
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.
4p08 COCAINE ESTERASE

(Rhodococcus sp.
MB1) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		4 ALA A 357
ASP A 355
GLY A 443
VAL A 439
 None
 0.74A 3nu9A-4p08A:
undetectable		 3nu9A-4p08A:
12.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 ALA A  55
ASP A  53
GLY A 158
ILE A 159
 None
 0.59A 3nu9A-4u3wA:
undetectable		 3nu9A-4u3wA:
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.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		4 ASP A 369
ALA A 372
PRO A 350
VAL A 351
 None
 0.61A 3nu9A-4xr9A:
undetectable		 3nu9A-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) 		4 ASP A  32
ALA A  35
VAL A  39
GLY A  58
 4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
 0.43A 3nu9A-4ydfA:
13.2		 3nu9A-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.
5j0c SUPEROXIDE DISMUTASE
[CU-ZN],SUPEROXIDE
DISMUTASE
[CU-ZN],OXIDOREDUCTA
SE,SUPEROXIDE
DISMUTASE [CU-ZN]

(Homo sapiens) 		PF00080
(Sod_Cu) 		4 ASP A  40
VAL A  31
GLY A 104
ILE A 105
 None
 0.69A 3nu9A-5j0cA:
undetectable		 3nu9A-5j0cA:
24.11
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.
5j6c PUTATIVE REDUCTASE

(Clostridioides
difficile) 		PF00881
(Nitroreductase) 		4 ALA A  86
ASP A  97
ILE A  52
VAL A 121
 None
 0.78A 3nu9A-5j6cA:
undetectable		 3nu9A-5j6cA:
21.08
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN
PUTATIVE PRE-MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
PF08084
(PROCT) 		4 ALA A 863
ASP B2303
GLY A 868
PRO A 591
 None
 0.73A 3nu9A-5m59A:
undetectable		 3nu9A-5m59A:
5.13
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.
5t13 CYANURIC ACID
AMIDOHYDROLASE

(Enterobacter
cloacae) 		PF09663
(Amido_AtzD_TrzD) 		4 ASP A 216
VAL A 218
GLY A 201
ILE A 202
 None
 0.78A 3nu9A-5t13A:
undetectable		 3nu9A-5t13A:
14.95
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
VAL A  32
PRO A  81
 None
 0.56A 3nu9A-5t2zA:
19.9		 3nu9A-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
VAL A  32
GLY A  49
ILE A  50
PRO A  81
 None
 0.43A 3nu9A-5t2zA:
19.9		 3nu9A-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.
5vm0 CAMELID NANOBODY VHH
T9

(Lama glama) 		no annotation 4 ASP A  64
VAL A  66
GLY A  52
ILE A  53
 None
 0.79A 3nu9A-5vm0A:
undetectable		 3nu9A-5vm0A:
19.39
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.
5wna MAB 3D3 FAB HEAVY
CHAIN

(Homo sapiens) 		no annotation 4 ASP H  62
VAL H  64
GLY H  50
ILE H  51
 None
 0.77A 3nu9A-5wnaH:
undetectable		 3nu9A-5wnaH:
21.70
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.
5znn SORTILIN

(Mus musculus) 		no annotation 4 ALA A 257
GLY A 260
ILE A 264
VAL A 239
 None
NA  A 809 (-3.1A)
NA  A 809 (-3.0A)
None
 0.75A 3nu9A-5znnA:
undetectable		 3nu9A-5znnA:
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) 		4 ASP A  25
ALA A  28
ASP A  30
PRO A  81
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
 0.58A 3nu9A-6upjA:
17.7		 3nu9A-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.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)

(Hepacivirus C) 		PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD) 		5 LEU A 365
VAL A 389
GLY A 404
ILE A 403
VAL A 408
 None
 1.12A 3nu9B-1cu1A:
undetectable		 3nu9B-1cu1A:
11.56
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.
1dxy D-2-HYDROXYISOCAPROA
TE DEHYDROGENASE

(Lactobacillus
casei) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 168
ALA A 169
VAL A 200
VAL A 150
VAL A 148
 None
 1.16A 3nu9B-1dxyA:
undetectable		 3nu9B-1dxyA:
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 LEU A 326
ALA A 379
ASP A 376
GLY A 419
ILE A 384
 None
None
None
None
GOL  A 609 ( 3.9A)
 1.13A 3nu9B-1e1tA:
undetectable		 3nu9B-1e1tA:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e3j NADP(H)-DEPENDENT
KETOSE REDUCTASE

(Bemisia
argentifolii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 192
ALA A 193
VAL A 243
VAL A 174
VAL A 172
 None
 1.13A 3nu9B-1e3jA:
undetectable		 3nu9B-1e3jA:
14.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 1.16A 3nu9B-1hvcA:
14.1		 3nu9B-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 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.97A 3nu9B-1hvcA:
14.1		 3nu9B-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
VAL A  82
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
 0.39A 3nu9B-1hvcA:
14.1		 3nu9B-1hvcA:
46.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
VAL A  82
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
 0.38A 3nu9B-1hvcA:
14.1		 3nu9B-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.
1j4a D-LACTATE
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 GLY A 169
ALA A 170
VAL A 202
VAL A 151
VAL A 149
 None
 1.11A 3nu9B-1j4aA:
undetectable		 3nu9B-1j4aA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jxi PHOSPHOMETHYLPYRIMID
INE KINASE

(Salmonella
enterica) 		PF08543
(Phos_pyr_kin) 		5 ASP A  13
GLY A  17
ALA A  18
ILE A 256
VAL A  49
 None
None
HMH  A2001 ( 4.0A)
None
None
 1.09A 3nu9B-1jxiA:
undetectable		 3nu9B-1jxiA:
13.73
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.
1q5q PROTEASOME
ALPHA-TYPE SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 GLY A  61
ALA A 125
VAL A 154
VAL A  30
VAL A  32
 None
 1.04A 3nu9B-1q5qA:
undetectable		 3nu9B-1q5qA:
16.02
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
GLY A  27
ALA A  28
ASP A  30
VAL A  32
 None
 0.38A 3nu9B-1q9pA:
10.3		 3nu9B-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.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		5 LEU A  14
ALA A 261
VAL A 236
VAL A 137
VAL A 139
 None
 1.12A 3nu9B-1r8gA:
undetectable		 3nu9B-1r8gA:
14.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.19A 3nu9B-1sivA:
18.5		 3nu9B-1sivA:
50.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
 0.41A 3nu9B-1sivA:
18.5		 3nu9B-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
 1.09A 3nu9B-1tt4A:
undetectable		 3nu9B-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.
1u2e 2-HYDROXY-6-KETONONA
-2,4-DIENEDIOIC ACID
HYDROLASE

(Escherichia
coli) 		PF12697
(Abhydrolase_6) 		5 LEU A 281
GLY A  61
ALA A  60
ILE A  54
VAL A 277
 None
 0.87A 3nu9B-1u2eA:
undetectable		 3nu9B-1u2eA:
20.00
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Escherichia
coli) 		PF02233
(PNTB) 		5 GLY C 113
ALA C 114
ILE C  35
VAL C 138
VAL C 118
 NAP  C1001 (-3.5A)
NAP  C1001 (-4.3A)
None
None
None
 0.87A 3nu9B-2bruC:
undetectable		 3nu9B-2bruC:
21.39
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.
2cvj THIOREDOXIN
REDUCTASE RELATED
PROTEIN

(Thermus
thermophilus) 		PF00890
(FAD_binding_2)
PF07992
(Pyr_redox_2) 		6 LEU A 170
GLY A  24
ALA A  23
ASP A 177
VAL A 164
VAL A 167
 None
 0.98A 3nu9B-2cvjA:
undetectable		 3nu9B-2cvjA:
16.02
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 LEU A 258
GLY A 227
ALA A 228
ILE A 239
VAL A 260
 None
 0.81A 3nu9B-2cy8A:
undetectable		 3nu9B-2cy8A:
13.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  55
VAL A  87
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
 0.35A 3nu9B-2fmbA:
14.9		 3nu9B-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.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 GLY A  25
ALA A  24
GLY A  19
ILE A  18
VAL A 166
 None
 0.95A 3nu9B-2g04A:
undetectable		 3nu9B-2g04A:
15.81
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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		6 GLY A 285
ALA A 284
ASP A 236
GLY A 184
ILE A 183
VAL A 261
 LLP  A  58 ( 4.8A)
LLP  A  58 ( 3.4A)
None
LLP  A  58 ( 3.5A)
None
None
 1.34A 3nu9B-2gn1A:
undetectable		 3nu9B-2gn1A:
15.50
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.
2hqr PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Helicobacter
pylori) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		5 GLY A  90
ALA A  91
ILE A  69
VAL A  50
VAL A  73
 None
 1.12A 3nu9B-2hqrA:
undetectable		 3nu9B-2hqrA:
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.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1

(Homo sapiens) 		PF00171
(Aldedh) 		5 GLY A 231
VAL A 259
GLY A 162
ILE A 163
VAL A 255
 NAI  A1501 (-3.4A)
None
None
None
None
 0.78A 3nu9B-2j6lA:
undetectable		 3nu9B-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
 0.96A 3nu9B-2jqvA:
undetectable		 3nu9B-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.
2jqv AIG2 PROTEIN-LIKE

(Arabidopsis
thaliana) 		PF06094
(GGACT) 		5 LEU A  38
VAL A 102
ILE A  67
VAL A  91
VAL A  93
 None
 1.15A 3nu9B-2jqvA:
undetectable		 3nu9B-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.
2k9x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF09138
(Urm1) 		5 LEU A  25
ASP A  91
VAL A  93
GLY A  39
VAL A   9
 None
 1.05A 3nu9B-2k9xA:
undetectable		 3nu9B-2k9xA:
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.
2kvp TALIN-1

(Mus musculus) 		PF08913
(VBS) 		5 LEU A1923
GLY A1894
ALA A1897
VAL A1964
VAL A1920
 None
 0.89A 3nu9B-2kvpA:
undetectable		 3nu9B-2kvpA:
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
 1.05A 3nu9B-2o20A:
undetectable		 3nu9B-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.
2odo ALANINE RACEMASE

(Pseudomonas
fluorescens) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 315
ALA A 314
VAL A 291
VAL A 286
VAL A 288
 None
 0.74A 3nu9B-2odoA:
undetectable		 3nu9B-2odoA:
16.57
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 732
GLY A 695
VAL A 678
VAL A 705
VAL A 703
 None
 1.15A 3nu9B-2pffA:
undetectable		 3nu9B-2pffA:
4.95
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.
2pff FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00106
(adh_short)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 732
GLY A 700
ALA A 701
VAL A 678
VAL A 703
 None
 0.95A 3nu9B-2pffA:
undetectable		 3nu9B-2pffA:
4.95
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.
2q3h RAS HOMOLOG GENE
FAMILY, MEMBER U

(Homo sapiens) 		PF00071
(Ras) 		5 ASP A 216
GLY A 222
ILE A 123
VAL A  90
VAL A  92
 None
 1.12A 3nu9B-2q3hA:
undetectable		 3nu9B-2q3hA:
18.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 0.40A 3nu9B-2rkfA:
20.5		 3nu9B-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.
2wbm RIBOSOME MATURATION
PROTEIN SDO1 HOMOLOG

(Methanothermobacter
thermautotrophicus) 		PF01172
(SBDS)
PF09377
(SBDS_C) 		5 LEU A  44
ALA A  28
VAL A   8
VAL A  21
VAL A  23
 None
 1.11A 3nu9B-2wbmA:
undetectable		 3nu9B-2wbmA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.82A 3nu9B-3aqpA:
undetectable		 3nu9B-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.
3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF01336
(tRNA_anti-codon)
PF08489
(DUF1743) 		5 GLY A 144
ALA A 145
GLY A 139
ILE A 119
VAL A 125
 None
 0.98A 3nu9B-3au7A:
undetectable		 3nu9B-3au7A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d6l PUTATIVE HYDROLASE

(Campylobacter
jejuni) 		PF03061
(4HBT) 		5 GLY A  66
ALA A  13
ASP A  17
VAL A 105
VAL A  63
 None
 1.07A 3nu9B-3d6lA:
undetectable		 3nu9B-3d6lA:
23.48
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 LEU A 310
GLY A 330
VAL A 271
GLY A 241
ILE A 242
 None
 1.10A 3nu9B-3decA:
undetectable		 3nu9B-3decA:
7.81
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.
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
 1.07A 3nu9B-3gvxA:
undetectable		 3nu9B-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.
3hs0 COBRA VENOM FACTOR

(Naja kaouthia) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		5 GLY A 266
ALA A 227
VAL A 307
VAL A 296
VAL A 298
 None
 1.11A 3nu9B-3hs0A:
undetectable		 3nu9B-3hs0A:
11.59
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.
3kl9 GLUTAMYL
AMINOPEPTIDASE

(Streptococcus
pneumoniae) 		PF05343
(Peptidase_M42) 		5 LEU A 205
GLY A 202
VAL A 231
VAL A  63
VAL A  61
 None
 1.10A 3nu9B-3kl9A:
undetectable		 3nu9B-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
 0.95A 3nu9B-3ktdA:
undetectable		 3nu9B-3ktdA:
15.84
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.
3kzx HAD-SUPERFAMILY
HYDROLASE, SUBFAMILY
IA, VARIANT 1

(Ehrlichia
chaffeensis) 		PF13419
(HAD_2) 		5 GLY A 176
ALA A 175
ILE A 169
VAL A 104
VAL A 144
 None
 1.05A 3nu9B-3kzxA:
undetectable		 3nu9B-3kzxA:
20.64
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 LEU A  95
GLY A 101
VAL A  39
VAL A 131
VAL A 133
 None
 0.85A 3nu9B-3l76A:
undetectable		 3nu9B-3l76A:
10.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 282
ASP A 299
GLY A 491
VAL A 471
VAL A 303
 None
 1.10A 3nu9B-3ljpA:
undetectable		 3nu9B-3ljpA:
10.50
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) 		5 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
 1.01A 3nu9B-3mwsA:
19.7		 3nu9B-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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
VAL A  82
 None
 0.53A 3nu9B-3mwsA:
19.7		 3nu9B-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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
VAL A  82
 None
 0.46A 3nu9B-3mwsA:
19.7		 3nu9B-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.
3oec CARVEOL
DEHYDROGENASE
(MYTHA.01326.C,
A0R518 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF13561
(adh_short_C2) 		5 GLY A 147
ALA A 148
GLY A 122
ILE A 123
VAL A 193
 None
 0.85A 3nu9B-3oecA:
undetectable		 3nu9B-3oecA:
18.01
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 512
ALA A 231
VAL A 268
GLY A 236
ILE A 213
 None
 1.14A 3nu9B-3opyA:
undetectable		 3nu9B-3opyA:
7.72
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.
3rft URONATE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 GLY A  90
ASP A  51
GLY A  72
VAL A  62
VAL A  58
 None
 0.98A 3nu9B-3rftA:
undetectable		 3nu9B-3rftA:
20.00
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.
3sju KETO REDUCTASE

(Streptomyces
griseoruber) 		PF00106
(adh_short) 		5 GLY A 115
ASP A  61
GLY A  11
VAL A  72
VAL A  68
 None
NDP  A 301 (-3.3A)
NDP  A 301 (-3.5A)
None
None
 0.95A 3nu9B-3sjuA:
undetectable		 3nu9B-3sjuA:
18.47
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.50A 3nu9B-3slzA:
11.3		 3nu9B-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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.44A 3nu9B-3t3cA:
18.4		 3nu9B-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) 		5 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
017  A 201 (-2.6A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 1.04A 3nu9B-3ttpA:
19.4		 3nu9B-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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 0.44A 3nu9B-3ttpA:
19.4		 3nu9B-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.
3u02 PUTATIVE
TRANSCRIPTION-ASSOCI
ATED PROTEIN TFIIS

(Pyrococcus
furiosus) 		PF08489
(DUF1743) 		5 GLY A  56
ALA A  57
GLY A  22
ILE A  21
VAL A  96
 TPO  A  18 ( 4.6A)
None
TPO  A  18 ( 3.7A)
TPO  A  18 ( 4.2A)
None
 1.11A 3nu9B-3u02A:
undetectable		 3nu9B-3u02A:
17.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
VAL A  84
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
None
 0.24A 3nu9B-3u7sA:
19.8		 3nu9B-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
GLY A  27
ALA A  28
VAL A  82
VAL A  84
 None
 0.35A 3nu9B-3uhlA:
16.0		 3nu9B-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.
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
 0.83A 3nu9B-3uuwA:
undetectable		 3nu9B-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.
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
 1.14A 3nu9B-4alaH:
undetectable		 3nu9B-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.
4b43 TRANSLATION
INITIATION FACTOR
IF-2

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF04760
(IF2_N) 		5 GLY A 303
ALA A 302
VAL A 310
GLY A 249
VAL A 110
 None
 1.02A 3nu9B-4b43A:
undetectable		 3nu9B-4b43A:
14.60
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.
4ehc PE-PGRS FAMILY
PROTEIN

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  34
ASP A  36
GLY A  38
VAL A  43
VAL A 115
 None
ZN  A 301 (-2.3A)
ZN  A 301 ( 3.9A)
None
None
 0.42A 3nu9B-4ehcA:
7.8		 3nu9B-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.
4g1u HEMIN TRANSPORT
SYSTEM PERMEASE
PROTEIN HMUU

(Yersinia pestis) 		PF01032
(FecCD) 		5 GLY A 126
ALA A  96
GLY A 101
ILE A 103
VAL A 251
 None
 1.10A 3nu9B-4g1uA:
undetectable		 3nu9B-4g1uA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4heq FLAVODOXIN

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1) 		5 GLY A 116
ALA A 117
VAL A  53
VAL A  90
VAL A  88
 None
 1.14A 3nu9B-4heqA:
undetectable		 3nu9B-4heqA:
19.33
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.
4jig DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 GLY A 120
ALA A 121
GLY A  94
ILE A  95
VAL A 169
 None
None
None
GOL  A 303 (-4.8A)
None
 0.86A 3nu9B-4jigA:
undetectable		 3nu9B-4jigA:
17.90
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.
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
 0.95A 3nu9B-4joiD:
undetectable		 3nu9B-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.
4k2u ANTIBODY HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU H 138
VAL H 163
GLY H 157
VAL H 183
VAL H 181
 None
 1.16A 3nu9B-4k2uH:
undetectable		 3nu9B-4k2uH:
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.
4kw7 ARSENIC
METHYLTRANSFERASE

(Cyanidioschyzon
sp. 5508) 		PF13847
(Methyltransf_31) 		5 LEU A 154
GLY A 113
ILE A 171
VAL A 192
VAL A 162
 None
 1.05A 3nu9B-4kw7A:
undetectable		 3nu9B-4kw7A:
14.48
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.
4moz FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Slackia
heliotrinireducens) 		PF01791
(DeoC) 		5 GLY A 242
ALA A 241
VAL A 211
GLY A 266
ILE A 259
 None
 1.08A 3nu9B-4mozA:
undetectable		 3nu9B-4mozA:
17.74
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 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.97A 3nu9B-4njvA:
20.1		 3nu9B-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) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
 0.48A 3nu9B-4njvA:
20.1		 3nu9B-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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
VAL A  32
GLY A  49
ILE A  50
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.26A 3nu9B-4njvA:
20.1		 3nu9B-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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 GLY A 231
ALA A 185
GLY A  48
VAL A 293
VAL A 269
 GRG  A 502 (-3.5A)
FDA  A 501 (-3.5A)
FDA  A 501 (-3.2A)
FDA  A 501 (-4.7A)
FDA  A 501 ( 4.7A)
 1.06A 3nu9B-4opuA:
undetectable		 3nu9B-4opuA:
12.95
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.
4uaq PROTEIN TRANSLOCASE
SUBUNIT SECA 2

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 ALA A 127
VAL A 212
ILE A 121
VAL A 135
VAL A 133
 None
 1.06A 3nu9B-4uaqA:
undetectable		 3nu9B-4uaqA:
9.92
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.
4wec SHORT CHAIN
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF13561
(adh_short_C2) 		5 GLY A  90
GLY A  17
ILE A  14
VAL A  68
VAL A  62
 NAD  A 301 (-3.5A)
NAD  A 301 ( 4.8A)
None
None
NAD  A 301 (-3.5A)
 1.02A 3nu9B-4wecA:
undetectable		 3nu9B-4wecA:
19.11
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.
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
 0.86A 3nu9B-4x4jA:
undetectable		 3nu9B-4x4jA:
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.
4x8y MEMBRANE-ASSOCIATED
PROGESTERONE
RECEPTOR COMPONENT 1

(Homo sapiens) 		PF00173
(Cyt-b5) 		5 LEU A 170
GLY A 118
ASP A  99
VAL A 167
VAL A  97
 None
 0.80A 3nu9B-4x8yA:
undetectable		 3nu9B-4x8yA:
15.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
 0.61A 3nu9B-4ydfA:
12.6		 3nu9B-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.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 LEU A 137
GLY A 118
ALA A 117
ILE A  89
VAL A 138
 None
 0.91A 3nu9B-4zqgA:
undetectable		 3nu9B-4zqgA:
15.12
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.
5b5q MEMBRANE THIOL
PROTEASE

(Chlamydia
trachomatis) 		PF02902
(Peptidase_C48) 		5 LEU B 188
ALA B 194
VAL B 279
ILE B 204
VAL B 244
 None
 1.07A 3nu9B-5b5qB:
undetectable		 3nu9B-5b5qB:
17.14
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.
5eco GLUTATHIONE
S-TRANSFERASE U20

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 LEU B  68
GLY B  16
ALA B  19
VAL B  74
ILE B 158
 None
 1.13A 3nu9B-5ecoB:
undetectable		 3nu9B-5ecoB:
17.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g56 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		5 GLY A 372
ALA A 363
VAL A 437
GLY A 566
ILE A 516
 None
 1.03A 3nu9B-5g56A:
undetectable		 3nu9B-5g56A:
8.22
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.
5glj TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 13

(Homo sapiens) 		PF00595
(PDZ) 		5 LEU A1173
ALA A1167
VAL A1150
ILE A1161
VAL A1147
 None
 0.85A 3nu9B-5gljA:
undetectable		 3nu9B-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.
5gui CHAPERONE PROTEIN
CLPC1, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		5 LEU A 217
GLY A 211
VAL A 156
GLY A 122
VAL A 216
 None
PO4  A 304 (-2.9A)
None
PO4  A 302 (-3.1A)
None
 1.03A 3nu9B-5guiA:
undetectable		 3nu9B-5guiA:
23.53
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.
5i73 8B6 ANTIBODY, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU B 163
VAL B 188
GLY B 182
VAL B 208
VAL B 206
 None
 1.08A 3nu9B-5i73B:
undetectable		 3nu9B-5i73B:
15.60
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.
5ihe DNA POLYMERASE II
SMALL SUBUNIT

(Pyrococcus
abyssi) 		PF00149
(Metallophos) 		5 ALA A 315
ASP A 314
GLY A 271
ILE A 270
VAL A 311
 None
 1.09A 3nu9B-5iheA:
undetectable		 3nu9B-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.
5lhe N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE

(Thermococcus
kodakarensis) 		PF00697
(PRAI) 		5 LEU A 160
GLY A 170
VAL A   5
GLY A 208
VAL A 181
 None
 1.05A 3nu9B-5lheA:
undetectable		 3nu9B-5lheA:
20.77
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 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
 1.01A 3nu9B-5t2zA:
20.2		 3nu9B-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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
 None
 0.36A 3nu9B-5t2zA:
20.2		 3nu9B-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.
5ttk AMINE OXIDASE

(Pseudomonas
putida) 		PF01593
(Amino_oxidase) 		5 LEU A 449
ALA A  68
GLY A  73
VAL A 303
VAL A 305
 None
 0.87A 3nu9B-5ttkA:
undetectable		 3nu9B-5ttkA:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vat PENICILLIN-BINDING
PROTEIN ACTIVATOR
LPOA

(Haemophilus
influenzae) 		PF04348
(LppC) 		5 LEU A 261
GLY A 520
ALA A 523
GLY A 359
VAL A 317
 None
 1.11A 3nu9B-5vatA:
undetectable		 3nu9B-5vatA:
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.
6dxp -

(-) 		no annotation 5 LEU A  38
ASP A  36
GLY A  35
VAL A   6
VAL A   4
 None
 1.14A 3nu9B-6dxpA:
undetectable		 3nu9B-6dxpA:
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.
6ewj PUTATIVE CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 GLY A  95
ALA A  96
VAL A 125
VAL A  79
VAL A  77
 None
 1.14A 3nu9B-6ewjA:
undetectable		 3nu9B-6ewjA:
19.79
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 LEU A  28
ASP A  30
GLY A  32
ALA A  33
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.4A)
 0.15A 3nu9B-6fivA:
15.5		 3nu9B-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 LEU A  28
ASP A  30
GLY A  32
ALA A  33
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
None
 0.48A 3nu9B-6fivA:
15.5		 3nu9B-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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  30
GLY A  49
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
 0.65A 3nu9B-6upjA:
17.8		 3nu9B-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ASP A  30
GLY A  49
ILE A  50
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.74A 3nu9B-6upjA:
17.8		 3nu9B-6upjA:
48.48