SIMILAR PATTERNS OF AMINO ACIDS FOR 2O4K_A_DR7A301_1

List of similar pattern of amino acids derived from ASSAM search

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

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

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 LEU A 263
ILE A 167
GLY A 151
GLY A 150
ILE A 149
 None
 0.92A 2o4kA-1dqsA:
0.0		 2o4kA-1dqsA:
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.
1dxl DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pisum sativum) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 284
ASP A 317
GLY A  15
GLY A  18
ILE A  11
 FAD  A 480 ( 4.9A)
FAD  A 480 (-2.9A)
FAD  A 480 (-3.9A)
None
None
 1.10A 2o4kA-1dxlA:
0.0		 2o4kA-1dxlA:
13.44
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 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.94A 2o4kA-1hvcA:
14.0		 2o4kA-1hvcA:
48.77
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) 		12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PHE A  53
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.48A 2o4kA-1hvcA:
14.0		 2o4kA-1hvcA:
48.77
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) 		12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PHE A  53
PRO A  81
ILE A  84
 A79  A 800 (-3.6A)
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 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
None
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.42A 2o4kA-1hvcA:
14.0		 2o4kA-1hvcA:
48.77
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) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  48
GLY A  49
PHE A  53
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
None
 1.35A 2o4kA-1hvcA:
14.0		 2o4kA-1hvcA:
48.77
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) 		7 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  48
GLY A  49
PHE A  53
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.7A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
None
 1.22A 2o4kA-1hvcA:
14.0		 2o4kA-1hvcA:
48.77
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.
1hww ALPHA-MANNOSIDASE II

(Drosophila
melanogaster) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 LEU A 111
ASP A 341
GLY A 339
ILE A 127
ILE A 110
 None
SWA  A1103 (-3.4A)
None
None
None
 0.94A 2o4kA-1hwwA:
undetectable		 2o4kA-1hwwA:
6.80
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.
1j2q PROTEASOME BETA
SUBUNIT

(Archaeoglobus
fulgidus) 		PF00227
(Proteasome) 		5 ARG H  72
ALA H  38
ILE H 101
GLY H 102
GLY H 103
 None
 1.11A 2o4kA-1j2qH:
undetectable		 2o4kA-1j2qH:
17.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
GLY A  48
GLY A  49
ILE A  50
PRO A  81
 None
 0.64A 2o4kA-1sivA:
18.7		 2o4kA-1sivA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 LEU A  23
ALA A  28
GLY A  49
PRO A  81
ILE A  84
 None
 0.89A 2o4kA-1sivA:
18.7		 2o4kA-1sivA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.35A 2o4kA-1sivA:
18.7		 2o4kA-1sivA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ASP A  30
GLY A  48
GLY A  49
 None
 0.98A 2o4kA-1sivA:
18.7		 2o4kA-1sivA:
50.51
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.
1wrj METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01035
(DNA_binding_1) 		5 ARG A 140
LEU A 129
ILE A  83
GLY A  86
ILE A 124
 None
 1.10A 2o4kA-1wrjA:
0.0		 2o4kA-1wrjA:
20.65
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.
1y56 HYPOTHETICAL PROTEIN
PH1363

(Pyrococcus
horikoshii) 		PF07992
(Pyr_redox_2)
PF13510
(Fer2_4) 		5 ALA A 476
ILE A 316
GLY A 321
GLY A 320
ILE A 480
 None
 0.82A 2o4kA-1y56A:
0.0		 2o4kA-1y56A:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 538
ASP A 537
GLY A 532
GLY A 529
PRO A 475
 None
 1.05A 2o4kA-1yr2A:
undetectable		 2o4kA-1yr2A:
8.88
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.
1z69 COENZYME
F420-DEPENDENT
N(5),N(10)-METHYLENE
TETRAHYDROMETHANOPTE
RIN REDUCTASE

(Methanosarcina
barkeri) 		PF00296
(Bac_luciferase) 		5 LEU A 163
ASP A 205
GLY A 299
ILE A 298
ILE A 190
 None
 0.95A 2o4kA-1z69A:
undetectable		 2o4kA-1z69A:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b9u HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Sulfurisphaera
tokodaii) 		PF00908
(dTDP_sugar_isom) 		5 LEU A   8
ALA A  84
GLY A  70
ILE A  72
ILE A  12
 None
 1.08A 2o4kA-2b9uA:
undetectable		 2o4kA-2b9uA:
17.82
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.
2bji INOSITOL-1(OR
4)-MONOPHOSPHATASE

(Bos taurus) 		PF00459
(Inositol_P) 		5 ALA A1210
ASP A1209
ILE A1187
GLY A1189
ILE A1262
 None
 1.10A 2o4kA-2bjiA:
undetectable		 2o4kA-2bjiA:
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 LEU A  98
ALA A 314
ILE A 279
GLY A 278
GLY A 277
 None
 0.98A 2o4kA-2cy8A:
undetectable		 2o4kA-2cy8A:
13.45
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 ALA A  28
ASP A  29
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.76A 2o4kA-2fmbA:
15.0		 2o4kA-2fmbA:
31.73
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) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  53
GLY A  54
GLY A  55
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.42A 2o4kA-2fmbA:
15.0		 2o4kA-2fmbA:
31.73
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.
2gdq YITF

(Bacillus
subtilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 142
ASP A 190
ILE A 162
GLY A 163
GLY A 164
 None
 1.00A 2o4kA-2gdqA:
undetectable		 2o4kA-2gdqA:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 ASP A  48
ILE A  82
GLY A  83
GLY A  84
ILE A  97
 None
 1.09A 2o4kA-2p4zA:
undetectable		 2o4kA-2p4zA:
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.
2pvc DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3-LIKE

(Homo sapiens) 		no annotation 5 ILE B  72
GLY B  71
GLY B  70
ILE B  49
ILE B  98
 None
 1.03A 2o4kA-2pvcB:
undetectable		 2o4kA-2pvcB:
12.40
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) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.45A 2o4kA-2rkfA:
20.8		 2o4kA-2rkfA:
86.87
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
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  48
GLY A  49
ILE A  50
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 1.43A 2o4kA-2rkfA:
20.8		 2o4kA-2rkfA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ARG A  10
LEU A  35
ASP A  37
ALA A  40
ASP A  41
 None
 0.85A 2o4kA-2rspA:
12.6		 2o4kA-2rspA:
33.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 LEU A  35
ASP A  37
ALA A  40
ASP A  41
ILE A 108
 None
 0.40A 2o4kA-2rspA:
12.6		 2o4kA-2rspA:
33.60
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.
2vvg KINESIN-2

(Giardia
intestinalis) 		PF00225
(Kinesin) 		5 LEU A 307
ASP A 241
ILE A 117
GLY A 115
ILE A  93
 None
MG  A1352 ( 4.1A)
None
None
None
 0.79A 2o4kA-2vvgA:
undetectable		 2o4kA-2vvgA:
13.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 ILE A 211
GLY A 186
GLY A 676
ILE A 675
ILE A 417
 None
 0.77A 2o4kA-2xvgA:
undetectable		 2o4kA-2xvgA:
7.39
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.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  86
GLY A 314
GLY A 315
ILE A 316
ILE A  72
 None
 0.96A 2o4kA-3bjsA:
undetectable		 2o4kA-3bjsA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A  86
ILE A 140
GLY A 314
GLY A 315
ILE A  72
 None
 0.99A 2o4kA-3bjsA:
undetectable		 2o4kA-3bjsA:
15.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eo7 PUTATIVE
NITROREDUCTASE

(Trichormus
variabilis) 		PF00881
(Nitroreductase) 		5 ALA A 230
GLY A 211
GLY A 210
PRO A 235
ILE A 164
 None
 1.02A 2o4kA-3eo7A:
undetectable		 2o4kA-3eo7A:
11.00
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.
3f8t PREDICTED ATPASE
INVOLVED IN
REPLICATION CONTROL,
CDC46/MCM FAMILY

(Methanopyrus
kandleri) 		PF00493
(MCM) 		5 LEU A 320
ALA A 296
GLY A 301
GLY A 302
ILE A 303
 None
 0.90A 2o4kA-3f8tA:
undetectable		 2o4kA-3f8tA:
10.82
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.
3ij3 CYTOSOL
AMINOPEPTIDASE

(Coxiella
burnetii) 		PF00883
(Peptidase_M17) 		5 ASP A 151
ILE A 153
GLY A 441
GLY A 440
ILE A 439
 None
 1.02A 2o4kA-3ij3A:
undetectable		 2o4kA-3ij3A:
11.39
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.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 LEU A 301
ALA A 294
ASP A 295
GLY A 348
ILE A 299
 None
 0.91A 2o4kA-3lxdA:
undetectable		 2o4kA-3lxdA:
14.78
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) 		10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.36A 2o4kA-3mwsA:
20.1		 2o4kA-3mwsA:
77.78
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) 		10 LEU A  23
ASP A  25
ALA A  28
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PHE A  53
PRO A  81
ILE A  84
 None
 0.49A 2o4kA-3mwsA:
20.1		 2o4kA-3mwsA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o3w BH2092 PROTEIN

(Bacillus
halodurans) 		PF00581
(Rhodanese) 		5 ASP A  34
GLY A 121
GLY A 122
ILE A 123
ILE A  91
 None
 1.01A 2o4kA-3o3wA:
undetectable		 2o4kA-3o3wA:
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 LEU A  58
ALA A 125
GLY A 118
GLY A 117
ILE A 116
 None
None
ATP  A 763 (-2.9A)
ATP  A 763 ( 4.5A)
None
 0.96A 2o4kA-3o8lA:
undetectable		 2o4kA-3o8lA:
9.25
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.
3ors N5-CARBOXYAMINOIMIDA
ZOLE RIBONUCLEOTIDE
MUTASE

(Staphylococcus
aureus) 		PF00731
(AIRC) 		5 ALA A  67
ILE A  86
GLY A  93
ILE A  94
ILE A 100
 None
 1.08A 2o4kA-3orsA:
undetectable		 2o4kA-3orsA:
19.14
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) 		5 ALA A  28
ASP A  29
ILE A  47
GLY A  49
PHE A  53
 017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
 0.71A 2o4kA-3t3cA:
18.5		 2o4kA-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 LEU A  23
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
 0.92A 2o4kA-3t3cA:
18.5		 2o4kA-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) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.57A 2o4kA-3t3cA:
18.5		 2o4kA-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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 1.25A 2o4kA-3t3cA:
18.5		 2o4kA-3t3cA:
76.77
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) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
PHE A  53
PRO A  81
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
None
017  A 201 (-3.0A)
None
017  A 201 (-4.1A)
 0.48A 2o4kA-3ttpA:
19.6		 2o4kA-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  30
GLY A  48
PHE A  53
PRO A  81
 017  A 201 ( 4.8A)
None
017  A 201 (-4.6A)
None
None
017  A 201 (-4.1A)
 1.26A 2o4kA-3ttpA:
19.6		 2o4kA-3ttpA:
78.79
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) 		10 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
PHE A  53
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.45A 2o4kA-3ttpA:
19.6		 2o4kA-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
PHE A  53
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
None
 0.59A 2o4kA-3u7sA:
19.9		 2o4kA-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  50
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.62A 2o4kA-3u7sA:
19.9		 2o4kA-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PHE A  53
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
None
 0.57A 2o4kA-3u7sA:
19.9		 2o4kA-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  48
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.61A 2o4kA-3u7sA:
19.9		 2o4kA-3u7sA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  48
GLY A  49
ILE A  50
PHE A  53
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
None
 1.47A 2o4kA-3u7sA:
19.9		 2o4kA-3u7sA:
78.79
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 LEU A  82
ILE A  47
GLY A  48
GLY A  49
PHE A  53
 017  A 202 (-4.0A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
None
 0.68A 2o4kA-3u7sA:
19.9		 2o4kA-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
 None
 0.59A 2o4kA-3uhlA:
16.0		 2o4kA-3uhlA:
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.
3v64 LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 4

(Rattus
norvegicus) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		5 ARG C 694
ILE C 471
GLY C 514
GLY C 515
ILE C 559
 None
 0.80A 2o4kA-3v64C:
undetectable		 2o4kA-3v64C:
15.95
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.
4as5 INOSITOL
MONOPHOSPHATASE 1

(Mus musculus) 		PF00459
(Inositol_P) 		5 ALA A 210
ASP A 209
ILE A 187
GLY A 189
ILE A 262
 None
 1.09A 2o4kA-4as5A:
undetectable		 2o4kA-4as5A:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 LEU A 140
ILE A 157
GLY A 158
ILE A 160
ILE A 144
 None
 0.76A 2o4kA-4bziA:
undetectable		 2o4kA-4bziA:
10.83
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.
4etp KINESIN-LIKE PROTEIN
KAR3

(Saccharomyces
cerevisiae) 		PF00225
(Kinesin) 		5 LEU A 695
ASP A 626
ILE A 492
GLY A 490
ILE A 470
 None
MG  A 802 ( 4.1A)
None
None
None
 0.83A 2o4kA-4etpA:
undetectable		 2o4kA-4etpA:
14.80
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.
4eys MCCC FAMILY PROTEIN

(Streptococcus
pneumoniae) 		PF02016
(Peptidase_S66) 		5 LEU A 267
ASP A 240
GLY A 243
ILE A 245
ILE A 272
 None
 0.88A 2o4kA-4eysA:
undetectable		 2o4kA-4eysA:
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.
4g09 HISTIDINOL
DEHYDROGENASE

(Brucella suis) 		PF00815
(Histidinol_dh) 		5 LEU A 240
ALA A 243
GLY A 353
GLY A 352
ILE A 351
 None
 0.95A 2o4kA-4g09A:
undetectable		 2o4kA-4g09A:
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.
4i1s MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Sus scrofa) 		PF00271
(Helicase_C) 		5 LEU A 731
ALA A 748
GLY A 718
ILE A 800
ILE A 784
 None
 1.09A 2o4kA-4i1sA:
undetectable		 2o4kA-4i1sA:
19.18
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 LEU A 162
ALA A 309
GLY A 306
ILE A 305
ILE A 321
 None
 0.82A 2o4kA-4injA:
undetectable		 2o4kA-4injA:
16.04
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 LEU A  69
ASP A  57
ALA A  60
ASP A  80
ILE A  62
 None
None
None
SAH  A 502 (-2.5A)
None
 0.93A 2o4kA-4krgA:
undetectable		 2o4kA-4krgA:
10.82
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.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		5 ILE A 670
GLY A 669
GLY A 668
ILE A 667
ILE A 652
 None
 0.93A 2o4kA-4ktpA:
undetectable		 2o4kA-4ktpA:
9.74
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.
4lur INTERPHOTORECEPTOR
RETINOID-BINDING
PROTEIN(IRBP)

(Danio rerio) 		PF03572
(Peptidase_S41)
PF11918
(Peptidase_S41_N) 		5 ILE A 115
GLY A 116
GLY A 155
ILE A 156
ILE A 111
 None
 1.00A 2o4kA-4lurA:
undetectable		 2o4kA-4lurA:
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.
4mzu WXCM-LIKE PROTEIN

(Shewanella
denitrificans) 		PF00132
(Hexapep)
PF05523
(FdtA) 		5 ALA A 121
GLY A 106
GLY A 124
ILE A 140
ILE A 117
 None
 1.12A 2o4kA-4mzuA:
undetectable		 2o4kA-4mzuA:
14.84
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.
4mzu WXCM-LIKE PROTEIN

(Shewanella
denitrificans) 		PF00132
(Hexapep)
PF05523
(FdtA) 		5 ALA A 121
ILE A 105
GLY A 106
GLY A 124
ILE A 140
 None
 0.79A 2o4kA-4mzuA:
undetectable		 2o4kA-4mzuA:
14.84
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) 		12 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PHE A  53
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.28A 2o4kA-4njvA:
20.9		 2o4kA-4njvA:
86.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r37 PUTATIVE
ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Bacteroides
fragilis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 LEU A 110
ALA A  60
ILE A  44
GLY A  63
ILE A  86
 None
 1.02A 2o4kA-4r37A:
undetectable		 2o4kA-4r37A:
23.08
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.
4xuf RECEPTOR-TYPE
TYROSINE-PROTEIN
KINASE FLT3

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 792
ILE A 921
GLY A 875
ILE A 876
PRO A 911
 None
 1.12A 2o4kA-4xufA:
undetectable		 2o4kA-4xufA:
17.18
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) 		7 ARG A  10
LEU A  30
ASP A  32
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.52A 2o4kA-4ydfA:
12.7		 2o4kA-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.
4yhc STEROL REGULATORY
ELEMENT-BINDING
PROTEIN
CLEAVAGE-ACTIVATING
PROTEIN

(Schizosaccharomyces
pombe) 		no annotation 5 LEU A 819
ASP A 799
ILE A 795
GLY A 794
ILE A 792
 None
 1.11A 2o4kA-4yhcA:
undetectable		 2o4kA-4yhcA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a62 PUTATIVE ALPHA/BETA
HYDROLASE FOLD
PROTEIN

(Candidatus
Nitrososphaera
gargensis) 		PF00561
(Abhydrolase_1) 		5 ARG A 241
ILE A 103
GLY A 101
GLY A  97
ILE A  96
 None
 1.00A 2o4kA-5a62A:
undetectable		 2o4kA-5a62A:
19.05
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) 		6 ARG A   8
ALA A  28
ASP A  29
GLY A  48
GLY A  49
ILE A  84
 None
 1.08A 2o4kA-5b18A:
18.2		 2o4kA-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
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.84A 2o4kA-5b18A:
18.2		 2o4kA-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.
5csa ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00364
(Biotin_lipoyl)
PF08326
(ACC_central) 		5 ALA A1361
ILE A1385
GLY A1340
ILE A1341
ILE A1425
 None
 1.05A 2o4kA-5csaA:
undetectable		 2o4kA-5csaA:
7.82
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.
5czz CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Staphylococcus
aureus) 		PF13395
(HNH_4)
PF16592
(Cas9_REC) 		5 GLY A  19
GLY A   8
ILE A 475
PRO A 471
ILE A 461
 None
 1.08A 2o4kA-5czzA:
undetectable		 2o4kA-5czzA:
6.63
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ARG A 147
ALA A  93
ILE A  79
GLY A   7
ILE A   6
 None
 1.05A 2o4kA-5d01A:
undetectable		 2o4kA-5d01A:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 LEU A  57
ALA A 176
ASP A 177
GLY A 172
ILE A 171
 None
 1.07A 2o4kA-5gleA:
undetectable		 2o4kA-5gleA:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gv1 ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		5 ARG A 211
ALA A 254
GLY A  69
GLY A  68
ILE A  14
 None
 0.95A 2o4kA-5gv1A:
undetectable		 2o4kA-5gv1A:
14.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gyg ENDO-1,4-BETA-XYLANA
SE

(termite gut
metagenome) 		PF00457
(Glyco_hydro_11) 		5 ARG A 211
ALA A 254
GLY A  69
GLY A  68
ILE A  14
 None
 1.00A 2o4kA-5gygA:
undetectable		 2o4kA-5gygA:
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.
5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005

(uncultured
bacterium) 		PF02522
(Antibiotic_NAT) 		5 LEU A  20
ALA A  25
GLY A 123
GLY A 122
ILE A 121
 None
 1.09A 2o4kA-5ht0A:
undetectable		 2o4kA-5ht0A:
18.72
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
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.46A 2o4kA-5t2zA:
20.1		 2o4kA-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
 None
 1.49A 2o4kA-5t2zA:
20.1		 2o4kA-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.
5z5c CYSTEINE SYNTHASE

(Fusobacterium
nucleatum) 		no annotation 5 ARG A 104
ALA A 113
ILE A  69
GLY A  85
ILE A  94
 MLY  A 303 ( 4.0A)
MLY  A 114 ( 3.1A)
None
None
MLY  A 114 ( 4.5A)
 1.12A 2o4kA-5z5cA:
undetectable		 2o4kA-5z5cA:
20.20
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.
6b74 COAGULATION FACTOR
XII

(Homo sapiens) 		no annotation 5 ARG B  73
ASP B 194
ALA B 190
GLY B  18
GLY B  19
 SO4  B 305 (-3.8A)
None
BEN  B 301 (-4.1A)
None
None
 1.11A 2o4kA-6b74B:
undetectable		 2o4kA-6b74B:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 ARG A  13
LEU A  28
ASP A  30
ALA A  33
ASP A  34
GLY A  58
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.29A 2o4kA-6fivA:
15.6		 2o4kA-6fivA:
30.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 None
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.98A 2o4kA-6upjA:
18.0		 2o4kA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
ALA A  28
GLY A  49
PHE A  53
PRO A  81
 None
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
None
None
 0.90A 2o4kA-6upjA:
18.0		 2o4kA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 1.10A 2o4kA-6upjA:
18.0		 2o4kA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.98A 2o4kA-6upjA:
18.0		 2o4kA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 ARG A   8
GLY A  49
ILE A  50
PHE A  53
PRO A  81
 None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.88A 2o4kA-6upjA:
18.0		 2o4kA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
GLY A  48
GLY A  49
PHE A  53
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
None
 0.67A 2o4kA-6upjA:
18.0		 2o4kA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 GLY A  48
GLY A  49
ILE A  50
PHE A  53
PRO A  81
 None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.52A 2o4kA-6upjA:
18.0		 2o4kA-6upjA:
49.49
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
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.71A 2o4kA-6upjA:
18.0		 2o4kA-6upjA:
49.49
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
ALA A  28
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.65A 2o4kA-6upjA:
18.0		 2o4kA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 LEU A  23
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.95A 2o4kA-6upjA:
18.0		 2o4kA-6upjA:
49.49
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  30
GLY A  48
GLY A  49
ILE A  50
PRO A  81
 None
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 1.12A 2o4kA-6upjA:
18.0		 2o4kA-6upjA:
49.49