SIMILAR PATTERNS OF AMINO ACIDS FOR 4NJT_D_017D101_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.
1cyi CYTOCHROME C6

(Chlamydomonas
reinhardtii) 		PF13442
(Cytochrome_CBB3) 		5 LEU A  67
GLY A   6
ALA A  74
ASP A   2
ILE A  49
 None
None
None
None
HEM  A 200 ( 4.3A)
 1.05A 4njtD-1cyiA:
undetectable		 4njtD-1cyiA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 GLY A 313
ALA A 312
ASP A 343
VAL A 347
ILE A 130
 FAD  A 600 (-3.5A)
FAD  A 600 (-3.4A)
FAD  A 600 (-4.4A)
None
None
 1.10A 4njtD-1d4eA:
undetectable		 4njtD-1d4eA:
8.92
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.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 179
GLY A 188
VAL A 232
ILE A  59
THR A 200
 None
 1.00A 4njtD-1ebdA:
undetectable		 4njtD-1ebdA:
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.
1ewk METABOTROPIC
GLUTAMATE RECEPTOR
SUBTYPE 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		5 LEU A  86
GLY A  48
ALA A  49
ILE A 183
THR A  85
 None
 1.17A 4njtD-1ewkA:
undetectable		 4njtD-1ewkA:
10.74
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.
1f3g GLUCOSE-SPECIFIC
PHOSPHOCARRIER
PROTEIN IIAGLC

(Escherichia
coli) 		PF00358
(PTS_EIIA_1) 		5 LEU A  26
GLY A 159
ASP A 117
VAL A 119
ILE A  22
 None
 1.06A 4njtD-1f3gA:
undetectable		 4njtD-1f3gA:
19.11
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
ASP A  30
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
 1.23A 4njtD-1hvcA:
13.7		 4njtD-1hvcA:
43.35
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
ALA A  28
ASP A  29
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.8A)
 1.16A 4njtD-1hvcA:
13.7		 4njtD-1hvcA:
43.35
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
ALA A  28
ASP A  29
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 ( 4.0A)
 1.15A 4njtD-1hvcA:
13.7		 4njtD-1hvcA:
43.35
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
ALA A  28
ASP A  29
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.6A)
 0.88A 4njtD-1hvcA:
13.7		 4njtD-1hvcA:
43.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.8A)
 0.47A 4njtD-1hvcA:
13.7		 4njtD-1hvcA:
43.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 4.0A)
 0.46A 4njtD-1hvcA:
13.7		 4njtD-1hvcA:
43.35
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.
1j4a D-LACTATE
DEHYDROGENASE

(Lactobacillus
delbrueckii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  43
GLY A  46
ALA A  47
ASP A  48
THR A  32
 None
 0.92A 4njtD-1j4aA:
undetectable		 4njtD-1j4aA:
15.67
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.
1o20 GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Thermotoga
maritima) 		PF00171
(Aldedh) 		5 GLY A 337
ALA A 359
ASP A 358
ILE A 384
THR A 368
 None
 1.18A 4njtD-1o20A:
undetectable		 4njtD-1o20A:
9.57
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.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A1156
ASP A1154
VAL A1036
ILE A1090
THR A1150
 None
 1.11A 4njtD-1p0cA:
undetectable		 4njtD-1p0cA:
14.25
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.
1q1n HYPOTHETICAL
ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN IN PRE5-FET4
INTERGENIC REGION

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 188
GLY A 223
ALA A 224
ASP A 225
ILE A 198
 None
 1.13A 4njtD-1q1nA:
undetectable		 4njtD-1q1nA:
13.80
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
 0.58A 4njtD-1q9pA:
10.4		 4njtD-1q9pA:
84.21
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  29
ASP A  30
ILE A  50
 None
 0.41A 4njtD-1sivA:
18.6		 4njtD-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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 434
ASP A 468
GLY A 469
ALA A 470
ILE A 114
 None
 1.17A 4njtD-1v0zA:
undetectable		 4njtD-1v0zA:
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.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 428
ASP A 462
GLY A 463
ALA A 464
ILE A 109
 None
 1.19A 4njtD-1xogA:
undetectable		 4njtD-1xogA:
13.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		5 LEU A 199
GLY A 235
ALA A 236
ASP A 237
VAL A 178
 None
 1.19A 4njtD-2bwgA:
undetectable		 4njtD-2bwgA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bzn GMP REDUCTASE 2

(Homo sapiens) 		PF00478
(IMPDH) 		5 LEU A 199
GLY A 235
ALA A 236
ASP A 237
VAL A 178
 None
 1.09A 4njtD-2bznA:
undetectable		 4njtD-2bznA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 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) 		5 LEU A 170
GLY A  24
ALA A  23
ASP A 177
VAL A 164
 None
 1.00A 4njtD-2cvjA:
undetectable		 4njtD-2cvjA:
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.
2dld D-LACTATE
DEHYDROGENASE

(Lactobacillus
helveticus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A  43
GLY A  46
ALA A  47
ASP A  48
THR A  32
 None
 0.94A 4njtD-2dldA:
undetectable		 4njtD-2dldA:
17.65
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.
2f6h MYOSIN-2

(Saccharomyces
cerevisiae) 		PF01843
(DIL) 		5 GLY X  58
ALA X  57
ASP X  56
VAL X  68
ILE X 115
 None
 1.14A 4njtD-2f6hX:
undetectable		 4njtD-2f6hX:
13.01
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.
2f91 HEPATOPANCREAS
TRYPSIN

(Astacus
leptodactylus) 		PF00089
(Trypsin) 		5 LEU A  99
ASP A 102
GLY A  56
ALA A  55
VAL A 213
 None
 1.15A 4njtD-2f91A:
undetectable		 4njtD-2f91A:
16.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
 0.34A 4njtD-2fmbA:
15.3		 4njtD-2fmbA:
33.33
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A 219
ASP A 221
GLY A 223
ALA A 224
THR A 307
 None
4IG  A 885 (-2.6A)
4IG  A 885 (-3.9A)
4IG  A 885 ( 4.7A)
None
 0.83A 4njtD-2g1sA:
8.1		 4njtD-2g1sA:
13.83
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.
2hz7 GLUTAMINYL-TRNA
SYNTHETASE

(Deinococcus
radiodurans) 		PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C) 		5 GLY A 465
ALA A 478
ASP A 479
VAL A 392
ILE A 475
 None
 1.19A 4njtD-2hz7A:
undetectable		 4njtD-2hz7A:
8.43
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.
2i3o GAMMA-GLUTAMYLTRANSF
ERASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF01019
(G_glu_transpept) 		5 LEU A  47
GLY A  26
ALA A  25
ASP A  28
ILE A 511
 None
 1.13A 4njtD-2i3oA:
undetectable		 4njtD-2i3oA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4h VESTITONE REDUCTASE

(Medicago sativa) 		PF01370
(Epimerase) 		5 GLY X  81
ASP X 185
VAL X 187
ILE X 239
THR X 127
 None
 1.13A 4njtD-2p4hX:
undetectable		 4njtD-2p4hX:
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.
2pl1 TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOP

(Escherichia
coli) 		PF00072
(Response_reg) 		5 LEU A  60
GLY A  94
ALA A  95
ASP A  96
VAL A  50
 None
 1.01A 4njtD-2pl1A:
undetectable		 4njtD-2pl1A:
20.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  50
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
 1.19A 4njtD-2rkfA:
20.4		 4njtD-2rkfA:
80.81
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  29
ASP A  30
ILE A  50
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.8A)
 0.41A 4njtD-2rkfA:
20.4		 4njtD-2rkfA:
80.81
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.
2rmp MUCOROPEPSIN

(Rhizomucor
miehei) 		PF00026
(Asp) 		5 LEU A  36
ASP A  38
GLY A  40
ASP A  43
THR A 118
 None
 1.13A 4njtD-2rmpA:
6.1		 4njtD-2rmpA:
13.02
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.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 LEU A  35
ASP A  37
ALA A  40
ASP A  41
ILE A  71
 None
 1.07A 4njtD-2rspA:
12.9		 4njtD-2rspA:
29.60
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.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.27A 4njtD-2rspA:
12.9		 4njtD-2rspA:
29.60
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 LEU A 208
GLY A 201
ALA A 200
VAL A 172
ILE A 197
 None
FAD  A1373 (-3.4A)
FAD  A1373 (-3.5A)
FAD  A1373 (-3.7A)
None
 1.08A 4njtD-2uzzA:
undetectable		 4njtD-2uzzA:
16.07
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 243
GLY A 248
ALA A 249
ASP A 250
ASP A 251
 None
 0.80A 4njtD-2vn8A:
undetectable		 4njtD-2vn8A:
13.96
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.
2vre DELTA(3,5)-DELTA(2,4
)-DIENOYL-COA
ISOMERASE

(Homo sapiens) 		PF00378
(ECH_1) 		5 LEU A 186
ALA A 178
ASP A 179
ILE A 146
THR A 154
 None
 0.97A 4njtD-2vreA:
undetectable		 4njtD-2vreA:
16.22
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.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A  87
GLY A 522
ALA A 521
VAL A 336
THR A  90
 None
 1.00A 4njtD-2x40A:
undetectable		 4njtD-2x40A:
8.76
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.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Aeropyrum
pernix) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 LEU A 192
GLY A 185
ASP A 187
VAL A 115
THR A 124
 None
 1.16A 4njtD-2yv2A:
undetectable		 4njtD-2yv2A:
17.51
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.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 426
ASP A 460
GLY A 461
ALA A 462
ILE A 108
 None
 1.16A 4njtD-3ckzA:
undetectable		 4njtD-3ckzA:
13.58
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.
3e35 UNCHARACTERIZED
PROTEIN SCO1997

(Streptomyces
coelicolor) 		PF09754
(PAC2) 		5 LEU A 232
ASP A 101
GLY A 104
ALA A 105
THR A 225
 None
 1.13A 4njtD-3e35A:
undetectable		 4njtD-3e35A:
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 211
GLY A 216
ALA A 217
ASP A 218
ILE A 190
 None
 0.76A 4njtD-3jv7A:
undetectable		 4njtD-3jv7A:
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.
3kl7 PUTATIVE
METAL-DEPENDENT
HYDROLASE

(Parabacteroides
distasonis) 		PF13483
(Lactamase_B_3) 		5 LEU A 156
GLY A 153
ALA A 132
ASP A 120
ILE A  77
 None
 1.11A 4njtD-3kl7A:
undetectable		 4njtD-3kl7A:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		5 GLY A 162
ALA A 161
ASP A  11
ILE A 193
THR A 248
 None
 1.19A 4njtD-3l6cA:
undetectable		 4njtD-3l6cA:
16.91
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.
3l6e OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Aeromonas
hydrophila) 		PF00106
(adh_short) 		5 GLY A  34
ALA A  56
ASP A  57
ASP A  63
VAL A  66
 SO4  A 500 (-3.3A)
None
None
None
None
 1.06A 4njtD-3l6eA:
undetectable		 4njtD-3l6eA:
16.23
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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		5 GLY A 162
ALA A 161
ASP A  11
ILE A 193
THR A 248
 None
 1.17A 4njtD-3l6rA:
undetectable		 4njtD-3l6rA:
16.56
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.
3lmk METABOTROPIC
GLUTAMATE RECEPTOR 5

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 LEU A  76
GLY A  38
ALA A  39
ILE A 170
THR A  75
 None
 1.13A 4njtD-3lmkA:
undetectable		 4njtD-3lmkA:
11.57
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.
3lqy PUTATIVE
ISOCHORISMATASE
HYDROLASE

(Oleispira
antarctica) 		PF00857
(Isochorismatase) 		5 LEU A 103
ALA A 132
ASP A 135
ILE A  95
THR A 101
 None
 1.15A 4njtD-3lqyA:
undetectable		 4njtD-3lqyA:
18.33
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  29
ASP A  30
VAL A  32
 None
 0.47A 4njtD-3mwsA:
19.7		 4njtD-3mwsA:
70.71
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  29
VAL A  32
ILE A  50
 None
 0.44A 4njtD-3mwsA:
19.7		 4njtD-3mwsA:
70.71
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.
3nnn DNA BINDING RESPONSE
REGULATOR D

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  96
ALA A  97
ASP A  98
ILE A  64
THR A  81
 None
None
None
None
BEF  A 402 (-3.2A)
 1.12A 4njtD-3nnnA:
undetectable		 4njtD-3nnnA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nns DNA BINDING RESPONSE
REGULATOR B

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 GLY A  93
ALA A  94
ASP A  95
ILE A  61
THR A  78
 None
None
None
None
BEF  A 402 (-3.6A)
 1.10A 4njtD-3nnsA:
undetectable		 4njtD-3nnsA:
22.95
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.
3oad RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU B 224
ASP B 226
GLY B 228
ALA B 229
THR B 312
 None
 0.87A 4njtD-3oadB:
5.3		 4njtD-3oadB:
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.
3os6 ISOCHORISMATE
SYNTHASE DHBC

(Bacillus
anthracis) 		PF00425
(Chorismate_bind) 		5 LEU A 239
GLY A 214
ALA A 213
VAL A 246
ILE A 269
 None
SO4  A 404 (-3.8A)
SO4  A 404 (-3.9A)
None
None
 1.17A 4njtD-3os6A:
undetectable		 4njtD-3os6A:
13.07
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.
3our PHOSPHOTRANSFERASE
SYSTEM IIA COMPONENT

(Vibrio
vulnificus) 		PF00358
(PTS_EIIA_1) 		5 LEU B  27
GLY B 160
ASP B 118
VAL B 120
ILE B  23
 None
 1.16A 4njtD-3ourB:
undetectable		 4njtD-3ourB:
19.59
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.
3qve HMG BOX-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF08517
(AXH) 		5 LEU A 265
ASP A 283
GLY A 285
ASP A 260
VAL A 333
 None
EDO  A  13 (-4.9A)
EDO  A  13 (-3.6A)
None
EDO  A  13 ( 4.6A)
 1.18A 4njtD-3qveA:
undetectable		 4njtD-3qveA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcn BETA-N-ACETYLHEXOSAM
INIDASE

(Paenarthrobacter
aurescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 LEU A  54
GLY A  63
ALA A  62
ILE A  87
THR A  43
 None
None
None
None
GOL  A 563 ( 3.1A)
 1.12A 4njtD-3rcnA:
undetectable		 4njtD-3rcnA:
10.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
 0.31A 4njtD-3slzA:
11.8		 4njtD-3slzA:
25.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-3.3A)
 0.25A 4njtD-3t3cA:
18.7		 4njtD-3t3cA:
74.75
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
ALA A  28
ASP A  29
ILE A  50
 None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.3A)
 1.15A 4njtD-3ttpA:
20.0		 4njtD-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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.3A)
 0.43A 4njtD-3ttpA:
20.0		 4njtD-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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 201 ( 3.5A)
 0.14A 4njtD-3u7sA:
20.5		 4njtD-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
 None
 0.26A 4njtD-3uhlA:
16.4		 4njtD-3uhlA:
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.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		5 LEU A 376
GLY A 403
ASP A 407
ASP A 408
THR A 379
 LMT  A1101 ( 4.4A)
None
None
None
None
 1.06A 4njtD-3w9iA:
undetectable		 4njtD-3w9iA:
6.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wfz LACTO-N-BIOSE
PHOSPHORYLASE

(Bifidobacterium
longum) 		PF09508
(Lact_bio_phlase)
PF17385
(LBP_M)
PF17386
(LBP_C) 		5 LEU A  22
GLY A  27
ALA A  28
ASP A  29
ILE A 419
 None
 1.17A 4njtD-3wfzA:
undetectable		 4njtD-3wfzA:
8.25
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.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 LEU A 267
ASP A 269
GLY A 271
ALA A 272
THR A 355
 None
None
None
SO4  A1387 (-3.4A)
None
 0.92A 4njtD-4amtA:
8.0		 4njtD-4amtA:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b7j NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 426
ASP A 459
GLY A 460
ALA A 461
ILE A 108
 None
 1.13A 4njtD-4b7jA:
undetectable		 4njtD-4b7jA:
11.91
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.
4gpc HEME OXYGENASE

(Corynebacterium
diphtheriae) 		PF01126
(Heme_oxygenase) 		5 LEU A  87
ASP A  86
GLY A 159
ASP A 154
ILE A 143
 None
 1.18A 4njtD-4gpcA:
undetectable		 4njtD-4gpcA:
16.83
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.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 203
GLY A 208
ALA A 209
ASP A 210
ILE A 179
 None
 0.72A 4njtD-4idaA:
undetectable		 4njtD-4idaA:
16.26
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.
4mkm PUTATIVE SURFACE
ANCHORED PROTEIN

(Clostridium
perfringens) 		no annotation 5 LEU A 240
GLY A 243
ASP A 187
VAL A 162
ILE A 221
 None
 0.97A 4njtD-4mkmA:
undetectable		 4njtD-4mkmA:
14.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.5A)
 0.55A 4njtD-4njvA:
20.7		 4njtD-4njvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  50
THR A  82
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 (-4.3A)
RIT  A 500 (-3.5A)
 0.51A 4njtD-4njvA:
20.7		 4njtD-4njvA:
100.00
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.
4qq2 C1Q-RELATED FACTOR

(Mus musculus) 		PF00386
(C1q) 		5 GLY A  51
ASP A 104
ASP A 107
VAL A 109
ILE A 100
 None
None
CD  A 209 ( 4.9A)
None
None
 1.18A 4njtD-4qq2A:
undetectable		 4njtD-4qq2A:
22.86
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.
4tqt D-HYDANTOINASE

(Brucella suis) 		PF01979
(Amidohydro_1) 		5 GLY A 389
ALA A 390
ASP A 391
ASP A 393
THR A  17
 None
 1.10A 4njtD-4tqtA:
undetectable		 4njtD-4tqtA:
12.73
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 LEU A 168
ALA A 175
ASP A 176
ASP A 177
ILE A 118
 None
 0.89A 4njtD-4ttpA:
undetectable		 4njtD-4ttpA:
17.53
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 GLY A 599
ALA A 600
ASP A 601
ILE A 566
THR A 582
 PO4  A 804 (-3.9A)
None
None
None
None
 1.03A 4njtD-4u1rA:
undetectable		 4njtD-4u1rA:
10.53
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.
4v2i ESTERASE/LIPASE

(Thalassospira
sp. GB04J01) 		PF07859
(Abhydrolase_3) 		5 ASP A 259
GLY A 196
ASP A 192
ASP A 190
THR A 251
 None
None
None
None
MG  A1317 (-4.0A)
 1.16A 4njtD-4v2iA:
undetectable		 4njtD-4v2iA:
16.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wwy TRYPSIN-1

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A  99
ASP A 102
GLY A  56
ALA A  55
VAL A 213
 None
 1.06A 4njtD-4wwyA:
undetectable		 4njtD-4wwyA:
21.19
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.
4xwt DR2417

(Deinococcus
radiodurans) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		5 LEU A 206
GLY A 199
ALA A 198
ASP A 201
THR A 173
 None
 1.16A 4njtD-4xwtA:
undetectable		 4njtD-4xwtA:
11.92
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
ASP A  36
VAL A  39
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
 0.48A 4njtD-4ydfA:
13.2		 4njtD-4ydfA:
33.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		5 GLY A 263
ALA A 264
ASP A 265
ILE A 230
THR A 249
 None
 0.83A 4njtD-4zr8A:
undetectable		 4njtD-4zr8A:
17.43
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.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A 125
ASP A 447
GLY A 450
ALA A 449
ASP A 115
 None
 1.10A 4njtD-5cwaA:
undetectable		 4njtD-5cwaA:
11.18
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.
5cxw PENICILLIN-BINDING
PROTEIN 1A

(Mycobacterium
tuberculosis) 		PF00905
(Transpeptidase) 		5 GLY A 588
ALA A 554
ASP A 553
ILE A 595
THR A 580
 35P  A 702 ( 4.1A)
None
None
None
None
 1.16A 4njtD-5cxwA:
undetectable		 4njtD-5cxwA:
12.85
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.
5dh2 SIDEROPHORE
PERIPLASMIC BINDING
PROTEIN

(Thermobifida
fusca) 		PF01497
(Peripla_BP_2) 		5 LEU A 361
GLY A 331
ALA A 330
ILE A 299
THR A 238
 None
 0.99A 4njtD-5dh2A:
undetectable		 4njtD-5dh2A:
15.79
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT

(Escherichia
coli) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU B 172
ALA B  94
ASP B 164
VAL B 167
ILE B 227
 None
None
FAD  B 321 (-3.9A)
None
None
 0.92A 4njtD-5g5gB:
undetectable		 4njtD-5g5gB:
15.14
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.
5gjj HEAT SHOCK 70 KDA
PROTEIN 1A

(Homo sapiens) 		PF00012
(HSP70) 		5 LEU A  19
ALA A 106
VAL A  54
ILE A  43
THR A  21
 None
 1.15A 4njtD-5gjjA:
undetectable		 4njtD-5gjjA:
12.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h2v IMPORTIN SUBUNIT
BETA-3

(Saccharomyces
cerevisiae) 		PF13513
(HEAT_EZ) 		5 LEU A 909
GLY A 925
ALA A 970
ILE A 940
THR A 945
 None
 1.14A 4njtD-5h2vA:
undetectable		 4njtD-5h2vA:
6.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i7z LD29223P

(Drosophila
melanogaster) 		PF00595
(PDZ) 		5 LEU A 231
GLY A 179
VAL A 226
ILE A 197
THR A 235
 None
None
None
None
PEG  A 301 ( 4.2A)
 1.16A 4njtD-5i7zA:
undetectable		 4njtD-5i7zA:
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.
5jhq TANKYRASE-1

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13606
(Ank_3) 		5 LEU A 453
GLY A 458
ALA A 459
ASP A 460
THR A 418
 None
 1.18A 4njtD-5jhqA:
undetectable		 4njtD-5jhqA:
11.81
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.
5khl HEMIN ABC
TRANSPORTER,
PERIPLASMIC
HEMIN-BINDING
PROTEIN HUTB

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		5 LEU B 161
GLY B 243
ALA B 242
ASP B 212
ILE B 207
 None
 1.16A 4njtD-5khlB:
undetectable		 4njtD-5khlB:
16.67
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
ALA A  28
ASP A  29
ILE A  50
 None
 1.18A 4njtD-5t2zA:
20.1		 4njtD-5t2zA:
85.86
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  29
ASP A  30
VAL A  32
ILE A  50
 None
 0.39A 4njtD-5t2zA:
20.1		 4njtD-5t2zA:
85.86
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.
5vfr PROTEASOME SUBUNIT
ALPHA TYPE-2
PROTEASOME SUBUNIT
ALPHA TYPE-4

(Homo sapiens) 		no annotation 5 LEU H  26
ASP H 150
GLY H 153
ALA H 154
ILE I  79
 None
 1.15A 4njtD-5vfrH:
undetectable		 4njtD-5vfrH:
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.
5xap PROTEIN TRANSLOCASE
SUBUNIT SECD

(Deinococcus
radiodurans) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 361
ALA A 362
ASP A 365
VAL A 432
THR A 427
 None
 1.11A 4njtD-5xapA:
undetectable		 4njtD-5xapA:
8.85
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.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 5 GLY A 167
ALA A 166
ASP A  14
ILE A 198
THR A 255
 None
 1.13A 4njtD-5ybwA:
undetectable		 4njtD-5ybwA:
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.
6cf6 TANKYRASE-1

(Mus musculus) 		no annotation 5 LEU A 446
GLY A 451
ALA A 452
ASP A 453
THR A 411
 None
 1.17A 4njtD-6cf6A:
undetectable		 4njtD-6cf6A:
17.71
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.
6f8z ALPHA-1,2-MANNOSIDAS
E, PUTATIVE

(Bacteroides
thetaiotaomicron) 		no annotation 5 LEU A  96
ASP A  95
GLY A 197
ASP A 168
ILE A 176
 None
 1.14A 4njtD-6f8zA:
undetectable		 4njtD-6f8zA:
21.21
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  50
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 (-3.9A)
 0.58A 4njtD-6upjA:
18.1		 4njtD-6upjA:
47.47