SIMILAR PATTERNS OF AMINO ACIDS FOR 1N49_B_RITB301_2

List of similar pattern of amino acids derived from ASSAM search

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

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

(Saccharomyces
cerevisiae) 		PF00885
(DMRL_synthase) 		6 ARG A  28
GLY A  37
ALA A  38
ILE A 121
GLY A 123
ILE A  21
 None
 1.42A 1n49B-1ejbA:
undetectable		 1n49B-1ejbA:
21.30
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.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA O  19
VAL O   3
ILE O 325
ILE O  11
ILE O  27
 None
None
None
NAD  O 336 (-3.9A)
None
 0.94A 1n49B-1gaeO:
undetectable		 1n49B-1gaeO:
16.72
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		5 GLY A 389
ALA A 390
ILE A 434
GLY A 226
ILE A 225
 None
None
None
None
IMD  A 902 ( 4.3A)
 0.79A 1n49B-1gz5A:
undetectable		 1n49B-1gz5A:
12.36
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.
1h0h FORMATE
DEHYDROGENASE
SUBUNIT ALPHA

(Desulfovibrio
gigas) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLY A 400
ALA A 399
GLY A 721
ILE A 180
ILE A 736
 None
 0.93A 1n49B-1h0hA:
undetectable		 1n49B-1h0hA:
7.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.75A 1n49B-1hvcA:
13.9		 1n49B-1hvcA:
47.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ARG A   8
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.76A 1n49B-1hvcA:
13.9		 1n49B-1hvcA:
47.29
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 GLY A  27
ALA A  28
VAL A  32
GLY A  48
ILE A  84
 A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.89A 1n49B-1hvcA:
13.9		 1n49B-1hvcA:
47.29
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 GLY A  27
ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 1.02A 1n49B-1hvcA:
13.9		 1n49B-1hvcA:
47.29
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.
1ksi COPPER AMINE OXIDASE

(Pisum sativum) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 GLY A 254
ALA A 253
GLY A 277
ILE A 257
ILE A 279
 None
 0.94A 1n49B-1ksiA:
undetectable		 1n49B-1ksiA:
10.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		6 ARG A 342
ALA A 304
VAL A 287
ILE A 260
GLY A 290
ILE A 292
 None
 1.38A 1n49B-1lrtA:
undetectable		 1n49B-1lrtA:
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ASN A 644
ASP A 638
GLY A 668
ILE A 666
ILE A 640
 None
 0.86A 1n49B-1n5xA:
undetectable		 1n49B-1n5xA:
6.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.67A 1n49B-1q9pA:
10.5		 1n49B-1q9pA:
89.47
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPG-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00117
(GATase) 		6 GLY B  95
ALA B  96
ASP B 141
ILE B 159
ILE B  90
ILE B  98
 None
 1.16A 1n49B-1qdlB:
undetectable		 1n49B-1qdlB:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A   8
GLY A  27
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.81A 1n49B-1sivA:
18.3		 1n49B-1sivA:
48.48
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 GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
 0.90A 1n49B-1sivA:
18.3		 1n49B-1sivA:
48.48
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 GLY A  27
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.81A 1n49B-1sivA:
18.3		 1n49B-1sivA:
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.
1su7 CARBON MONOXIDE
DEHYDROGENASE 2

(Carboxydothermus
hydrogenoformans) 		PF03063
(Prismane) 		5 VAL A 270
ILE A 306
GLY A 292
ILE A 293
ILE A 269
 None
 0.92A 1n49B-1su7A:
undetectable		 1n49B-1su7A:
10.00
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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		5 ASN A 306
GLY A 327
ILE A 289
ILE A 330
ILE A 309
 None
 0.96A 1n49B-1svvA:
undetectable		 1n49B-1svvA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vdw HYPOTHETICAL PROTEIN
PH1897

(Pyrococcus
horikoshii) 		PF00459
(Inositol_P) 		5 ALA A 238
VAL A 224
ILE A 202
GLY A 205
ILE A 208
 None
 0.94A 1n49B-1vdwA:
undetectable		 1n49B-1vdwA:
17.72
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.
1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF02581
(TMP-TENI) 		5 GLY A 127
ALA A 126
VAL A 150
GLY A 178
ILE A 179
 None
 0.85A 1n49B-1xi3A:
undetectable		 1n49B-1xi3A:
18.60
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.
1y60 FORMALDEHYDE-ACTIVAT
ING ENZYME FAE

(Methylobacterium
extorquens) 		PF08714
(Fae) 		5 GLY A  10
ALA A 145
ILE A   4
GLY A  28
ILE A 142
 None
 0.96A 1n49B-1y60A:
undetectable		 1n49B-1y60A:
24.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yj8 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 GLY A 143
ALA A 224
VAL A 329
ILE A 228
GLY A 322
 None
 0.94A 1n49B-1yj8A:
undetectable		 1n49B-1yj8A:
13.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ARG A   8
GLY A  27
ALA A  28
VAL A  32
ILE A  53
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.86A 1n49B-2fmbA:
14.9		 1n49B-2fmbA:
32.69
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		6 ARG A 154
GLY A 115
ILE A 102
GLY A  66
ILE A  65
PRO A 528
 None
 1.22A 1n49B-2g3nA:
undetectable		 1n49B-2g3nA:
9.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g85 CHORISMATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF01264
(Chorismate_synt) 		5 GLY A 351
ALA A 350
ILE A 317
GLY A 220
ILE A 258
 None
 0.84A 1n49B-2g85A:
undetectable		 1n49B-2g85A:
14.14
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.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermus
thermophilus) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 GLY A 377
ALA A 385
ASP A 381
GLY A 408
ILE A 407
 None
 0.92A 1n49B-2ip4A:
undetectable		 1n49B-2ip4A:
13.03
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.
2kyl MICROTUBULE-ASSOCIAT
ED
SERINE/THREONINE-PRO
TEIN KINASE 2

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A  53
ALA A  52
VAL A  87
GLY A  18
ILE A  89
 None
 0.94A 1n49B-2kylA:
undetectable		 1n49B-2kylA:
20.39
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.
2omv INTERNALIN-A

(Listeria
monocytogenes) 		PF08191
(LRR_adjacent)
PF12354
(Internalin_N)
PF12799
(LRR_4) 		5 ASN A 261
GLY A 260
VAL A 219
ILE A 235
ILE A 241
 None
 0.90A 1n49B-2omvA:
undetectable		 1n49B-2omvA:
12.15
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.
2pcr INOSITOL-1-MONOPHOSP
HATASE

(Aquifex
aeolicus) 		PF00459
(Inositol_P) 		5 GLY A 244
ALA A 243
ILE A 215
GLY A 218
ILE A 221
 None
 0.82A 1n49B-2pcrA:
undetectable		 1n49B-2pcrA:
17.91
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 355
GLY A  49
ILE A 305
PRO A 272
ILE A 278
 None
 0.93A 1n49B-2pgwA:
undetectable		 1n49B-2pgwA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ri8 MANNOSYL-OLIGOSACCHA
RIDE
ALPHA-1,2-MANNOSIDAS
E

(Penicillium
citrinum) 		PF01532
(Glyco_hydro_47) 		5 GLY A1493
VAL A1420
ILE A1351
GLY A1341
ILE A1274
 None
 0.91A 1n49B-2ri8A:
undetectable		 1n49B-2ri8A:
12.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ARG A   8
GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
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)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.77A 1n49B-2rkfA:
20.0		 1n49B-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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 GLY A  32
VAL A 152
ILE A 132
GLY A 130
ILE A  29
 None
 0.84A 1n49B-2vcaA:
undetectable		 1n49B-2vcaA:
7.38
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.
2vl6 MINICHROMOSOME
MAINTENANCE PROTEIN
MCM

(Sulfolobus
solfataricus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 GLY A 235
VAL A 231
ILE A 197
ILE A 216
ILE A 262
 None
 0.95A 1n49B-2vl6A:
undetectable		 1n49B-2vl6A:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wk1 NOVP

(Actinoalloteichus
cyanogriseus) 		PF05711
(TylF) 		6 GLY A  28
ALA A  27
ILE A  66
GLY A  99
ILE A 102
ILE A  23
 None
None
SAH  A 301 (-4.1A)
None
None
None
 1.15A 1n49B-2wk1A:
undetectable		 1n49B-2wk1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yb6 UBIQUITIN-CONJUGATIN
G ENZYME E2 B

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLY A  26
ALA A  38
VAL A  70
ILE A 109
ILE A  57
 None
 0.85A 1n49B-2yb6A:
undetectable		 1n49B-2yb6A:
17.76
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.
3c7t ECDYSTEROID-PHOSPHAT
E PHOSPHATASE

(Bombyx mori) 		PF00300
(His_Phos_1) 		5 GLY A 299
ASP A 265
ILE A 262
GLY A 259
ILE A 258
 None
None
CL  A 332 ( 4.3A)
None
None
 0.95A 1n49B-3c7tA:
undetectable		 1n49B-3c7tA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cvg PUTATIVE METAL
BINDING PROTEIN

(Coccidioides
immitis) 		PF12849
(PBP_like_2) 		5 ASN A  44
GLY A  46
ALA A  47
ILE A 286
ILE A  97
 None
 0.95A 1n49B-3cvgA:
undetectable		 1n49B-3cvgA:
15.00
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 GLY A 166
ALA A 167
VAL A  99
GLY A 186
ILE A  98
 None
None
None
None
EDO  A 960 ( 4.8A)
 0.87A 1n49B-3g7rA:
undetectable		 1n49B-3g7rA:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h09 IMMUNOGLOBULIN A1
PROTEASE

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 GLY A 660
ILE A 499
GLY A 522
ILE A 543
ILE A 540
 None
None
None
None
ACT  A1800 (-4.0A)
 0.91A 1n49B-3h09A:
undetectable		 1n49B-3h09A:
8.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iwa FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Desulfovibrio
vulgaris) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 GLY A 273
ALA A 274
VAL A 277
ILE A 297
GLY A 306
ILE A 276
 None
 1.31A 1n49B-3iwaA:
undetectable		 1n49B-3iwaA:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kf6 PROTEIN STN1

(Schizosaccharomyces
pombe) 		PF10451
(Stn1) 		6 ASN A  19
ASP A  25
VAL A  26
GLY A  40
ILE A  39
ILE A  50
 None
 1.29A 1n49B-3kf6A:
undetectable		 1n49B-3kf6A:
18.75
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.
3kwg NON-STRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 GLY A 158
VAL A 192
ILE A 182
GLY A 184
ILE A 128
 None
 0.94A 1n49B-3kwgA:
undetectable		 1n49B-3kwgA:
22.58
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.
3m5r NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 GLY A 158
VAL A 192
ILE A 182
GLY A 184
ILE A 128
 None
 0.89A 1n49B-3m5rA:
undetectable		 1n49B-3m5rA:
20.44
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 GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 None
 1.13A 1n49B-3mwsA:
19.2		 1n49B-3mwsA:
74.75
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) 		9 GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.78A 1n49B-3mwsA:
19.2		 1n49B-3mwsA:
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 ARG A  37
GLY A 196
VAL A 214
GLY A 202
ILE A 234
 None
None
None
SFG  A 491 (-4.1A)
None
 0.84A 1n49B-3n71A:
undetectable		 1n49B-3n71A:
9.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o9t NONSTRUCTURAL
PROTEIN 1

(Influenza A
virus) 		PF00600
(Flu_NS1) 		5 GLY A 158
VAL A 192
ILE A 182
GLY A 184
ILE A 128
 None
None
None
P6G  A5928 (-3.8A)
None
 0.96A 1n49B-3o9tA:
undetectable		 1n49B-3o9tA:
22.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rfy PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP38, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00160
(Pro_isomerase) 		5 ASN A 115
VAL A 121
GLY A 157
ILE A 161
ILE A 118
 None
 0.93A 1n49B-3rfyA:
undetectable		 1n49B-3rfyA:
17.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
ILE A  50
 017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-3.3A)
 0.75A 1n49B-3t3cA:
18.4		 1n49B-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 GLY A  27
ALA A  28
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 017  A 201 (-3.4A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.53A 1n49B-3t3cA:
18.4		 1n49B-3t3cA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tc8 LEUCINE
AMINOPEPTIDASE

(Parabacteroides
distasonis) 		PF04389
(Peptidase_M28) 		5 GLY A 153
ALA A 154
VAL A 322
ILE A 285
ILE A 158
 None
 0.93A 1n49B-3tc8A:
undetectable		 1n49B-3tc8A:
15.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
GLY A  27
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-3.6A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.75A 1n49B-3ttpA:
19.0		 1n49B-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) 		7 GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 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)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.78A 1n49B-3ttpA:
19.0		 1n49B-3ttpA:
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) 		8 ARG A   8
GLY A  27
ALA A  28
ASP A  30
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 None
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.84A 1n49B-3u7sA:
19.3		 1n49B-3u7sA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3up8 PUTATIVE
2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE B

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		6 GLY A   8
ALA A   9
ASP A 100
GLY A 133
ILE A 153
ILE A  11
 None
 1.19A 1n49B-3up8A:
undetectable		 1n49B-3up8A:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3y 3-KETOSTEROID
DEHYDROGENASE

(Rhodococcus
erythropolis) 		PF00890
(FAD_binding_2) 		5 ALA A 180
GLY A 175
ILE A 174
PRO A 134
ILE A 109
 None
 0.93A 1n49B-4c3yA:
undetectable		 1n49B-4c3yA:
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.
4dyk AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01979
(Amidohydro_1) 		5 GLY A 163
ALA A 164
VAL A 156
ILE A 171
GLY A 174
 None
 0.81A 1n49B-4dykA:
undetectable		 1n49B-4dykA:
15.09
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.
4fx5 VON WILLEBRAND
FACTOR TYPE A

(Catenulispora
acidiphila) 		PF13768
(VWA_3) 		5 ALA A 159
VAL A  96
ILE A 148
GLY A 146
ILE A  59
 None
 0.93A 1n49B-4fx5A:
undetectable		 1n49B-4fx5A:
13.43
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.
4fys AMINOPEPTIDASE N

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLY A 345
ALA A 304
ASP A 288
VAL A 290
ILE A 302
 None
 0.87A 1n49B-4fysA:
undetectable		 1n49B-4fysA:
8.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gcm THIOREDOXIN
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 ALA A 104
VAL A  86
ILE A 272
ILE A  10
ILE A  95
 None
 0.95A 1n49B-4gcmA:
undetectable		 1n49B-4gcmA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hjh PHOSPHOMANNOMUTASE

(Brucella
melitensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ASN A 111
GLY A 103
ILE A  99
GLY A  51
ILE A  61
 None
SEP  A 104 ( 2.4A)
None
None
None
 0.96A 1n49B-4hjhA:
undetectable		 1n49B-4hjhA:
12.33
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.
4k0r CRYPTOCHROME-1

(Mus musculus) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 GLY A  27
ALA A  28
ILE A  93
ILE A 125
ILE A  31
 None
 0.89A 1n49B-4k0rA:
undetectable		 1n49B-4k0rA:
10.71
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.
4kd5 ABC-TYPE TRANSPORT
SYSTEM,
MOLYBDENUM-SPECIFIC
EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Clostridioides
difficile) 		no annotation 5 GLY C 197
VAL C 147
ILE C 150
GLY C 202
ILE C 129
 None
 0.92A 1n49B-4kd5C:
undetectable		 1n49B-4kd5C:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kq6 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

([Candida]
glabrata) 		PF00885
(DMRL_synthase) 		6 ARG A  29
GLY A  38
ALA A  39
ILE A 122
GLY A 124
ILE A  22
 None
 1.42A 1n49B-4kq6A:
undetectable		 1n49B-4kq6A:
21.67
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 6 ASN A 698
GLY A 683
ALA A 684
VAL A 721
ILE A 711
GLY A 708
 None
None
None
None
GOL  A 822 (-4.5A)
None
 1.27A 1n49B-4lgnA:
undetectable		 1n49B-4lgnA:
9.62
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) 		10 ARG A   8
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.68A 1n49B-4njvA:
20.0		 1n49B-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 GLY A  27
ALA A  28
ASP A  30
VAL A  32
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 1.00A 1n49B-4njvA:
20.0		 1n49B-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.
4p8r GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
brucei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A  21
VAL A   5
ILE A 326
ILE A  13
ILE A  29
 MG  A 401 (-4.5A)
None
None
NAD  A 400 (-4.3A)
None
 0.87A 1n49B-4p8rA:
undetectable		 1n49B-4p8rA:
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.
4qi4 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C) 		6 GLY A 481
ALA A 480
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 901 (-3.6A)
FAD  A 901 (-3.5A)
FAD  A 901 (-4.1A)
None
None
None
 1.07A 1n49B-4qi4A:
undetectable		 1n49B-4qi4A:
10.60
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A 481
ALA A 480
VAL A 440
ILE A 258
ILE A 488
 FAD  A 902 (-3.6A)
FAD  A 902 (-3.9A)
FAD  A 902 (-4.2A)
None
None
 0.96A 1n49B-4qi6A:
undetectable		 1n49B-4qi6A:
8.55
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A 481
VAL A 440
ILE A 258
ILE A 477
ILE A 488
 FAD  A 902 (-3.6A)
FAD  A 902 (-4.2A)
None
None
None
 0.88A 1n49B-4qi6A:
undetectable		 1n49B-4qi6A:
8.55
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.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 GLY A 225
VAL A 253
GLY A 158
ILE A 159
ILE A 249
 None
 0.93A 1n49B-4u3wA:
undetectable		 1n49B-4u3wA:
10.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ARG A  10
GLY A  34
ALA A  35
GLY A  58
ILE A 100
 None
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.92A 1n49B-4ydfA:
13.0		 1n49B-4ydfA:
31.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ARG A  10
GLY A  34
ALA A  35
VAL A  39
ILE A 100
 None
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-4.8A)
 0.85A 1n49B-4ydfA:
13.0		 1n49B-4ydfA:
31.90
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 ARG A   8
ASN A  25
GLY A  27
ALA A  28
ASP A  30
 None
 0.74A 1n49B-5b18A:
17.8		 1n49B-5b18A:
75.76
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 ARG A   8
ASN A  25
GLY A  27
ALA A  28
GLY A  49
 None
 0.90A 1n49B-5b18A:
17.8		 1n49B-5b18A:
75.76
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 ARG A   8
ASN A  25
GLY A  27
ASP A  30
ILE A  84
 None
 0.78A 1n49B-5b18A:
17.8		 1n49B-5b18A:
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.
5d55 HDAB,HDAA (ADHESIN),
HUS-ASSOCIATED
DIFFUSE ADHERENCE

(Escherichia
coli) 		PF05775
(AfaD) 		5 GLY A  69
VAL A  37
ILE A  26
GLY A  24
ILE A  67
 None
 0.82A 1n49B-5d55A:
undetectable		 1n49B-5d55A:
21.02
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.
5gvs PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX41

(Homo sapiens) 		PF00270
(DEAD) 		5 ALA A 342
GLY A 223
ILE A 222
PRO A 213
ILE A 215
 None
 0.72A 1n49B-5gvsA:
undetectable		 1n49B-5gvsA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		6 ALA A  49
VAL A 249
ILE A 221
ILE A 283
PRO A 226
ILE A 257
 None
 1.27A 1n49B-5hx9A:
undetectable		 1n49B-5hx9A:
15.75
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.
5ify GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		5 GLY A  74
ASP A  50
VAL A  51
ILE A  48
ILE A 256
 None
None
None
None
UMP  A 501 (-4.6A)
 0.95A 1n49B-5ifyA:
undetectable		 1n49B-5ifyA:
16.18
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.
5im4 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Candida
albicans) 		PF00885
(DMRL_synthase) 		6 GLY A 153
ALA A  39
ILE A  55
GLY A  21
ILE A  85
ILE A  88
 None
 1.38A 1n49B-5im4A:
undetectable		 1n49B-5im4A:
21.88
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.
5lae PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE
OXIDASE,PEROXISOMAL
N(1)-ACETYL-SPERMINE
/SPERMIDINE OXIDASE

(Mus musculus) 		PF01593
(Amino_oxidase) 		5 ARG A 224
ALA A  21
VAL A 234
GLY A  14
ILE A  15
 None
None
None
FAD  A1801 (-3.3A)
None
 0.95A 1n49B-5laeA:
undetectable		 1n49B-5laeA:
10.62
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) 		10 ARG A   8
GLY A  27
ALA A  28
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.83A 1n49B-5t2zA:
19.3		 1n49B-5t2zA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 GLY A   9
ILE A 286
GLY A 116
ILE A 117
ILE A   7
 FAD  A 401 ( 4.7A)
None
FAD  A 401 (-4.0A)
FAD  A 401 (-4.8A)
None
 0.96A 1n49B-5twbA:
undetectable		 1n49B-5twbA:
13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u3c CTP SYNTHASE

(Escherichia
coli) 		PF00117
(GATase)
PF06418
(CTP_synth_N) 		5 GLY A  19
ALA A  22
ILE A   6
ILE A 141
ILE A  38
 ADP  A 602 ( 4.8A)
None
None
None
None
 0.95A 1n49B-5u3cA:
undetectable		 1n49B-5u3cA:
11.53
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.
5uib OXIDOREDUCTASE
PROTEIN

(Agrobacterium
tumefaciens) 		PF01408
(GFO_IDH_MocA) 		5 ASN A 222
GLY A 223
ALA A 224
ILE A 248
GLY A 250
 None
 0.88A 1n49B-5uibA:
undetectable		 1n49B-5uibA:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uwy THIOREDOXIN
REDUCTASE

(Streptococcus
pyogenes) 		PF07992
(Pyr_redox_2) 		6 GLY A 289
ALA A  12
ASP A 273
VAL A 274
GLY A   8
ILE A  29
 None
FAD  A 401 (-3.5A)
FAD  A 401 (-2.7A)
None
FAD  A 401 ( 3.8A)
None
 1.43A 1n49B-5uwyA:
undetectable		 1n49B-5uwyA:
14.71
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.
5wi5 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		5 ALA A 150
VAL A 114
ILE A 105
GLY A 103
ILE A 148
 None
 0.85A 1n49B-5wi5A:
undetectable		 1n49B-5wi5A:
10.90
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.
5wol 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Coxiella
burnetii) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 GLY A 234
ALA A 104
VAL A  76
GLY A 217
ILE A 102
 None
 0.93A 1n49B-5wolA:
undetectable		 1n49B-5wolA:
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.
5xon RNA POLYMERASE II
SUBUNIT

(Komagataella
phaffii) 		PF00575
(S1)
PF03876
(SHS2_Rpb7-N) 		5 ASN G 107
VAL G 103
GLY G 161
ILE G 160
PRO G  81
 None
 0.93A 1n49B-5xonG:
undetectable		 1n49B-5xonG:
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.
5z2e DIHYDRODIPICOLINATE
REDUCTASE

(Paenisporosarcina
sp. TG-14) 		no annotation 6 GLY A 259
ALA A 124
VAL A  96
GLY A 242
ILE A 129
ILE A 122
 None
 1.21A 1n49B-5z2eA:
undetectable		 1n49B-5z2eA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 5 GLY A 241
ALA A  72
ILE A  42
ILE A 209
ILE A  77
 None
 0.93A 1n49B-6b5iA:
undetectable		 1n49B-6b5iA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b9h PROTEIN HOOK HOMOLOG
3

(Homo sapiens) 		no annotation 5 GLY A 124
VAL A  44
ILE A  20
ILE A 139
ILE A  48
 None
 0.77A 1n49B-6b9hA:
undetectable		 1n49B-6b9hA:
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.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 5 GLY A 132
ALA A 131
ILE A  67
GLY A  88
ILE A 137
 None
 0.89A 1n49B-6c49A:
undetectable		 1n49B-6c49A:
24.30
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.
6cqb CHALCONE SYNTHASE

(Piper
methysticum) 		no annotation 6 GLY A 373
VAL A 272
ILE A 255
GLY A 377
ILE A 247
ILE A 276
 None
 1.24A 1n49B-6cqbA:
undetectable		 1n49B-6cqbA:
17.31
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.
6dgk -

(-) 		no annotation 5 GLY A 158
VAL A 192
ILE A 182
GLY A 184
ILE A 128
 None
 0.94A 1n49B-6dgkA:
undetectable		 1n49B-6dgkA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 ARG A   8
GLY A  27
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
NIU  A 100 (-4.5A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.91A 1n49B-6upjA:
17.9		 1n49B-6upjA:
47.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 GLY A  27
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.75A 1n49B-6upjA:
17.9		 1n49B-6upjA:
47.47