SIMILAR PATTERNS OF AMINO ACIDS FOR 2RKG_B_AB1B501_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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 LEU E  30
ASP E  32
GLY E  34
ASP E  37
ILE E 120
 None
 0.56A 2rkgA-1cziE:
6.9		 2rkgA-1cziE:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ghh DNA-DAMAGE-INDUCIBLE
PROTEIN I

(Escherichia
coli) 		PF06183
(DinI) 		5 GLY A  54
ALA A  55
ASP A  59
ILE A  63
GLY A  38
 None
 0.84A 2rkgA-1ghhA:
undetectable		 2rkgA-1ghhA:
21.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  48
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.77A 2rkgA-1hvcA:
13.7		 2rkgA-1hvcA:
42.86
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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
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 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.97A 2rkgA-1hvcA:
13.7		 2rkgA-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 1.19A 2rkgA-1hvcA:
13.7		 2rkgA-1hvcA:
42.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 1.20A 2rkgA-1hvcA:
13.7		 2rkgA-1hvcA:
42.86
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 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 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.49A 2rkgA-1hvcA:
13.7		 2rkgA-1hvcA:
42.86
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 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 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.33A 2rkgA-1hvcA:
13.7		 2rkgA-1hvcA:
42.86
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
GLY A  27
ALA A  28
ASP A  29
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 (-3.8A)
 1.14A 2rkgA-1hvcA:
13.7		 2rkgA-1hvcA:
42.86
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.
1kae HISTIDINOL
DEHYDROGENASE

(Escherichia
coli) 		PF00815
(Histidinol_dh) 		5 GLY A 227
ALA A 228
ASP A 204
GLY A 196
ILE A 206
 None
 0.84A 2rkgA-1kaeA:
undetectable		 2rkgA-1kaeA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kpi CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 2

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		6 LEU A  13
ASP A 156
GLY A 155
ALA A 154
VAL A  20
GLY A 217
 None
None
None
None
SAH  A 900 (-4.6A)
SO4  A 905 (-3.0A)
 1.43A 2rkgA-1kpiA:
undetectable		 2rkgA-1kpiA:
14.90
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.
1lgf P450 MONOOXYGENASE

(Amycolatopsis
orientalis) 		PF00067
(p450) 		6 LEU A 195
ASP A 223
ILE A 210
VAL A 213
GLY A 218
ILE A 198
 None
 1.29A 2rkgA-1lgfA:
undetectable		 2rkgA-1lgfA:
13.74
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.
1lk5 D-RIBOSE-5-PHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		PF06026
(Rib_5-P_isom_A) 		5 GLY A 101
ALA A 102
GLY A 207
ILE A  97
ILE A 179
 CL  A1001 (-3.4A)
None
None
None
None
 0.86A 2rkgA-1lk5A:
undetectable		 2rkgA-1lk5A:
17.30
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 ASP A 215
GLY A 217
ILE A 222
GLY A  76
ILE A 300
 None
 0.86A 2rkgA-1mppA:
7.5		 2rkgA-1mppA:
13.57
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.
1mpp PEPSIN

(Rhizomucor
pusillus) 		PF00026
(Asp) 		5 LEU A  30
ASP A  32
GLY A  34
ASP A  37
ILE A 120
 None
 0.74A 2rkgA-1mppA:
7.5		 2rkgA-1mppA:
13.57
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) 		7 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
 0.82A 2rkgA-1q9pA:
10.5		 2rkgA-1q9pA:
81.25
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 GLY A 194
ALA A 195
ILE A 246
VAL A 238
GLY A 240
 None
None
None
None
AHZ  A 600 (-3.5A)
 0.78A 2rkgA-1rp0A:
undetectable		 2rkgA-1rp0A:
20.15
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) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  48
PRO A  81
ILE A  84
 None
 0.94A 2rkgA-1sivA:
18.7		 2rkgA-1sivA:
51.00
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) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 1.29A 2rkgA-1sivA:
18.7		 2rkgA-1sivA:
51.00
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) 		12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.50A 2rkgA-1sivA:
18.7		 2rkgA-1sivA:
51.00
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 LEU A 184
GLY A 188
ALA A 189
ASP A 190
ILE A 158
 None
 0.78A 2rkgA-1to3A:
undetectable		 2rkgA-1to3A:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u9c APC35852

(Geobacillus
stearothermophilus) 		PF01965
(DJ-1_PfpI) 		6 LEU A 197
ALA A 116
ASP A 118
ILE A  90
VAL A 111
ILE A 122
 None
 1.39A 2rkgA-1u9cA:
undetectable		 2rkgA-1u9cA:
18.39
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.
1uc4 DIOL DEHYDRASE BETA
SUBUNIT

(Klebsiella
oxytoca) 		PF02288
(Dehydratase_MU) 		6 LEU B 151
ALA B 172
ILE B 168
VAL B  91
ILE B  64
ILE B 140
 None
 1.40A 2rkgA-1uc4B:
undetectable		 2rkgA-1uc4B:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vc4 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF00218
(IGPS) 		5 ALA A 232
ASP A 231
VAL A 177
GLY A 179
ILE A  49
 None
 0.86A 2rkgA-1vc4A:
undetectable		 2rkgA-1vc4A:
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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		5 GLY A 235
ILE A 347
VAL A 206
GLY A 208
ILE A 343
 None
 0.86A 2rkgA-1vheA:
undetectable		 2rkgA-1vheA:
14.94
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.
1z7s HUMAN COXSACKIEVIRUS
A21

(Enterovirus C) 		PF00073
(Rhv) 		6 GLY 2 188
ALA 2 187
ILE 2 127
VAL 2 230
GLY 2 123
ILE 2 197
 None
 1.34A 2rkgA-1z7s2:
undetectable		 2rkgA-1z7s2:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a2f EXOCYST COMPLEX
COMPONENT SEC15

(Drosophila
melanogaster) 		PF04091
(Sec15) 		6 LEU X 239
ALA X 185
ASP X 184
GLY X 190
ILE X 193
ILE X 242
 None
 1.50A 2rkgA-2a2fX:
undetectable		 2rkgA-2a2fX:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2au1 IGG-DEGRADING
PROTEASE

(Streptococcus
pyogenes) 		PF09028
(Mac-1) 		6 LEU A 249
GLY A 268
ALA A 269
ASP A 270
VAL A 298
ILE A 239
 None
 1.31A 2rkgA-2au1A:
undetectable		 2rkgA-2au1A:
16.31
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.
2bc0 NADH OXIDASE

(Streptococcus
pyogenes) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 453
ALA A 454
ASP A 456
ILE A 387
ILE A 426
 None
 0.66A 2rkgA-2bc0A:
undetectable		 2rkgA-2bc0A:
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.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		5 ALA A 129
VAL A 286
GLY A 282
ILE A 113
ILE A 239
 None
 0.84A 2rkgA-2cy8A:
undetectable		 2rkgA-2cy8A:
15.07
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.
2czd OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Pyrococcus
horikoshii) 		PF00215
(OMPdecase) 		6 GLY A  76
ALA A  77
ASP A  41
ILE A  42
ILE A  70
ILE A  43
 None
 1.30A 2rkgA-2czdA:
undetectable		 2rkgA-2czdA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ewn BIRA BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB)
PF08279
(HTH_11) 		6 LEU A 131
GLY A 186
ALA A 185
GLY A 154
ILE A 153
ILE A 207
 None
BTX  A 501 (-3.3A)
None
None
None
None
 1.13A 2rkgA-2ewnA:
undetectable		 2rkgA-2ewnA:
17.63
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.
2f31 DIAPHANOUS PROTEIN
HOMOLOG 1

(Mus musculus) 		PF06367
(Drf_FH3)
PF06371
(Drf_GBD) 		5 ALA A 238
ILE A 208
GLY A 231
ILE A 232
ILE A 209
 None
 0.83A 2rkgA-2f31A:
undetectable		 2rkgA-2f31A:
18.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ASP A  25
GLY A  27
ALA A  28
GLY A  54
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
 0.65A 2rkgA-2fmbA:
15.7		 2rkgA-2fmbA:
30.77
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
PRO A  86
ILE A  89
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
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)
 0.34A 2rkgA-2fmbA:
15.7		 2rkgA-2fmbA:
30.77
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.
2g1s RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 LEU A 219
ASP A 221
GLY A 223
ALA A 224
PRO A 301
 None
4IG  A 885 (-2.6A)
4IG  A 885 (-3.9A)
4IG  A 885 ( 4.7A)
None
 0.70A 2rkgA-2g1sA:
8.3		 2rkgA-2g1sA:
14.97
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.
2g4r MOLYBDOPTERIN
BIOSYNTHESIS MOG
PROTEIN

(Mycobacterium
tuberculosis) 		PF00994
(MoCF_biosynth) 		5 GLY A 115
ASP A  97
GLY A 118
ILE A 125
ILE A  99
 None
TRS  A 301 (-2.8A)
None
None
None
 0.85A 2rkgA-2g4rA:
undetectable		 2rkgA-2g4rA:
22.56
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.
2gzl 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF02542
(YgbB) 		6 GLY A  37
ASP A   8
ILE A  98
GLY A 145
PRO A 103
ILE A  20
 None
ZN  A 900 ( 2.4A)
None
None
None
None
 1.10A 2rkgA-2gzlA:
undetectable		 2rkgA-2gzlA:
24.48
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.
2isq CYSTEINE SYNTHASE

(Arabidopsis
thaliana) 		PF00291
(PALP) 		5 GLY A 190
ALA A 189
GLY A 183
ILE A 180
PRO A 296
 None
None
PLP  A 400 (-3.4A)
PLP  A 400 (-4.9A)
PLP  A 400 (-4.0A)
 0.77A 2rkgA-2isqA:
undetectable		 2rkgA-2isqA:
15.43
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.
2jf3 ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		6 GLY A  17
ALA A  18
ILE A  38
VAL A  50
ILE A  13
ILE A  20
 None
 1.16A 2rkgA-2jf3A:
undetectable		 2rkgA-2jf3A:
19.58
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.
2owz FRUCTOSE-1,6-BISPHOS
PHATASE

(Escherichia
coli) 		PF00316
(FBPase) 		6 ALA A  69
ASP A  66
ILE A  40
VAL A 124
ILE A 127
ILE A  36
 None
 1.50A 2rkgA-2owzA:
undetectable		 2rkgA-2owzA:
15.38
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.
2pa6 ENOLASE

(Methanocaldococcus
jannaschii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		6 GLY A 177
ALA A 178
ILE A 181
VAL A 185
GLY A 188
ILE A 173
 None
 1.39A 2rkgA-2pa6A:
undetectable		 2rkgA-2pa6A:
13.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ILE A  32
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.94A 2rkgA-2rkfA:
21.4		 2rkgA-2rkfA:
99.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
 1.41A 2rkgA-2rkfA:
21.4		 2rkgA-2rkfA:
99.00
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) 		12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 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 (-4.5A)
AB1  A 501 ( 4.9A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.32A 2rkgA-2rkfA:
21.4		 2rkgA-2rkfA:
99.00
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) 		6 LEU A  35
ASP A  37
ALA A  40
ASP A  41
ILE A  71
ILE A 108
 None
 1.39A 2rkgA-2rspA:
13.3		 2rkgA-2rspA:
31.20
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) 		7 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A  44
ILE A 108
 None
 0.42A 2rkgA-2rspA:
13.3		 2rkgA-2rspA:
31.20
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.
2v6g PROGESTERONE
5-BETA-REDUCTASE

(Digitalis
lanata) 		PF01370
(Epimerase) 		6 GLY A 208
ALA A 253
ASP A 252
VAL A 276
GLY A 204
ILE A  38
 None
None
NA  A1392 (-3.3A)
None
NAP  A1390 (-4.5A)
NAP  A1390 ( 4.6A)
 1.14A 2rkgA-2v6gA:
undetectable		 2rkgA-2v6gA:
14.04
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.
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
 0.83A 2rkgA-2vn8A:
undetectable		 2rkgA-2vn8A:
17.26
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.
2wsk GLYCOGEN DEBRANCHING
ENZYME

(Escherichia
coli) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A 188
GLY A 255
ALA A 254
ILE A 248
ILE A 185
 None
 0.80A 2rkgA-2wskA:
undetectable		 2rkgA-2wskA:
9.77
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.
2xio PUTATIVE
DEOXYRIBONUCLEASE
TATDN1

(Homo sapiens) 		PF01026
(TatD_DNase) 		6 ASP A   8
GLY A  10
ASP A 222
ILE A 266
GLY A 194
ILE A 263
 None
None
EDO  A1299 (-2.9A)
None
None
None
 1.22A 2rkgA-2xioA:
undetectable		 2rkgA-2xioA:
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		6 GLY A 283
ALA A 284
ILE A 453
GLY A 450
ILE A 449
ILE A 385
 None
 1.22A 2rkgA-3a2qA:
undetectable		 2rkgA-3a2qA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b48 UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF03610
(EIIA-man) 		5 LEU A  65
GLY A 102
ALA A 103
ILE A  33
ILE A   5
 None
 0.77A 2rkgA-3b48A:
undetectable		 2rkgA-3b48A:
21.58
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.
3f6m 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF02542
(YgbB) 		6 GLY A  39
ASP A   8
ILE A 100
GLY A 147
PRO A 105
ILE A  22
 None
 1.12A 2rkgA-3f6mA:
undetectable		 2rkgA-3f6mA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		6 LEU A 234
ALA A 215
ILE A 289
VAL A 276
PRO A 285
ILE A 237
 None
 1.46A 2rkgA-3g6lA:
undetectable		 2rkgA-3g6lA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		6 LEU A 148
GLY A 191
ALA A 213
ASP A 212
GLY A 256
ILE A 189
 None
 1.21A 2rkgA-3gf7A:
undetectable		 2rkgA-3gf7A:
10.57
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		5 GLY A 121
ALA A 122
ASP A 123
ILE A  89
ILE A 126
 None
 0.82A 2rkgA-3gveA:
undetectable		 2rkgA-3gveA:
15.71
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.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		6 LEU A 567
ALA A 590
ASP A 591
GLY A 579
ILE A 495
ILE A 564
 None
 1.36A 2rkgA-3hhdA:
undetectable		 2rkgA-3hhdA:
8.57
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'

(Sulfolobus
solfataricus) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 GLY A 712
ALA A 711
ILE A 665
GLY A 748
ILE A 661
 None
 0.84A 2rkgA-3hkzA:
3.1		 2rkgA-3hkzA:
9.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		6 GLY A 264
ALA A 265
ASP A 266
GLY A 460
ILE A 459
ILE A 224
 None
 1.02A 2rkgA-3i5gA:
undetectable		 2rkgA-3i5gA:
8.24
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 GLY A 254
ALA A 255
ILE A 306
VAL A 298
GLY A 300
 AHZ  A 500 ( 4.3A)
None
None
None
AHZ  A 500 (-3.5A)
 0.87A 2rkgA-3jskA:
undetectable		 2rkgA-3jskA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.72A 2rkgA-3jv7A:
undetectable		 2rkgA-3jv7A:
18.29
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.
3jyn QUINONE
OXIDOREDUCTASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		6 LEU A 323
GLY A  65
ALA A 119
ILE A 297
VAL A 294
ILE A 322
 None
 1.19A 2rkgA-3jynA:
undetectable		 2rkgA-3jynA:
15.44
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.
3k2w BETAINE-ALDEHYDE
DEHYDROGENASE

(Pseudoalteromonas
atlantica) 		PF00171
(Aldedh) 		5 LEU A  76
GLY A 200
ALA A 199
ILE A  83
GLY A 193
 None
 0.78A 2rkgA-3k2wA:
undetectable		 2rkgA-3k2wA:
12.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khz PUTATIVE DIPEPTIDASE
SACOL1801

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20) 		5 LEU A 130
GLY A  73
ALA A  72
GLY A  80
ILE A 127
 None
 0.79A 2rkgA-3khzA:
undetectable		 2rkgA-3khzA:
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.
3kkl PROBABLE CHAPERONE
PROTEIN HSP33

(Saccharomyces
cerevisiae) 		no annotation 6 LEU A 156
GLY A 159
ALA A 196
ILE A 210
PRO A 141
ILE A 157
 None
 1.40A 2rkgA-3kklA:
undetectable		 2rkgA-3kklA:
16.94
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.
3kw3 ALANINE RACEMASE

(Bartonella
henselae) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 GLY A 299
ILE A 283
VAL A 336
ILE A 339
ILE A 319
 None
 0.87A 2rkgA-3kw3A:
undetectable		 2rkgA-3kw3A:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdo PUTATIVE
PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Parabacteroides
distasonis) 		PF02769
(AIRS_C) 		6 LEU A 251
GLY A 256
ALA A 255
ASP A 246
ILE A 319
ILE A 248
 None
 1.09A 2rkgA-3mdoA:
undetectable		 2rkgA-3mdoA:
14.92
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.
3mp7 PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Pyrococcus
furiosus) 		PF00344
(SecY)
PF10559
(Plug_translocon) 		5 ILE A 290
VAL A  65
GLY A 435
ILE A 436
ILE A 289
 None
 0.78A 2rkgA-3mp7A:
undetectable		 2rkgA-3mp7A:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF16114
(Citrate_bind) 		5 LEU A 301
GLY A 296
ILE A 337
GLY A 416
ILE A 275
 None
 0.87A 2rkgA-3mweA:
undetectable		 2rkgA-3mweA:
13.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
ALA A  28
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 None
 1.38A 2rkgA-3mwsA:
19.6		 2rkgA-3mwsA:
70.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 None
 0.90A 2rkgA-3mwsA:
19.6		 2rkgA-3mwsA:
70.00
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
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 1.33A 2rkgA-3mwsA:
19.6		 2rkgA-3mwsA:
70.00
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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 None
 1.37A 2rkgA-3mwsA:
19.6		 2rkgA-3mwsA:
70.00
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.52A 2rkgA-3mwsA:
19.6		 2rkgA-3mwsA:
70.00
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.
3noy 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Aquifex
aeolicus) 		PF04551
(GcpE) 		5 LEU A 198
GLY A 201
ILE A  23
GLY A 220
ILE A 221
 None
 0.79A 2rkgA-3noyA:
undetectable		 2rkgA-3noyA:
16.97
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.
3p9x PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Bacillus
halodurans) 		PF00551
(Formyl_trans_N) 		6 LEU A  34
GLY A  88
ALA A  87
ILE A  18
ILE A 105
ILE A   6
 None
 1.34A 2rkgA-3p9xA:
undetectable		 2rkgA-3p9xA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q94 FRUCTOSE-BISPHOSPHAT
E ALDOLASE, CLASS II

(Bacillus
anthracis) 		PF01116
(F_bP_aldolase) 		5 GLY A 274
ILE A  34
VAL A  45
GLY A  21
ILE A 230
 None
 0.59A 2rkgA-3q94A:
undetectable		 2rkgA-3q94A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  54
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.3A)
3TL  A 126 (-3.4A)
 0.47A 2rkgA-3slzA:
11.6		 2rkgA-3slzA:
26.87
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.78A 2rkgA-3t2yA:
undetectable		 2rkgA-3t2yA:
14.32
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)
 1.29A 2rkgA-3t3cA:
18.6		 2rkgA-3t3cA:
72.00
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
GLY A  49
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)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.46A 2rkgA-3t3cA:
18.6		 2rkgA-3t3cA:
72.00
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
GLY A  49
PRO A  81
 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)
017  A 201 (-4.0A)
None
 0.65A 2rkgA-3t3cA:
18.6		 2rkgA-3t3cA:
72.00
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.
3t44 INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Mycobacterium
tuberculosis) 		PF00218
(IGPS) 		5 ALA A 238
ASP A 237
VAL A 185
GLY A 187
ILE A  55
 None
 0.83A 2rkgA-3t44A:
undetectable		 2rkgA-3t44A:
15.99
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.
3tk8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-SUCCINYLTRANSFERAS
E

(Burkholderia
pseudomallei) 		PF00132
(Hexapep)
PF14602
(Hexapep_2)
PF14805
(THDPS_N_2) 		5 ALA A 189
ILE A 217
VAL A 229
GLY A 202
ILE A 191
 None
 0.86A 2rkgA-3tk8A:
undetectable		 2rkgA-3tk8A:
16.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  40
ASP A  36
GLY A  12
ILE A  85
ILE A  37
 None
EDO  A 315 (-3.3A)
EDO  A 315 ( 4.1A)
None
None
 0.86A 2rkgA-3tl2A:
undetectable		 2rkgA-3tl2A:
14.52
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 ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  48
ILE A  84
 017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
None
017  A 201 (-4.7A)
 0.82A 2rkgA-3ttpA:
20.3		 2rkgA-3ttpA:
81.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  47
GLY A  49
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.37A 2rkgA-3ttpA:
20.3		 2rkgA-3ttpA:
81.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		12 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
VAL A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 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)
None
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.41A 2rkgA-3ttpA:
20.3		 2rkgA-3ttpA:
81.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  82
ILE A  32
VAL A  47
GLY A  49
ILE A  50
ILE A  84
 017  A 201 ( 4.6A)
None
017  A 201 ( 4.9A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.7A)
 1.37A 2rkgA-3ttpA:
20.3		 2rkgA-3ttpA:
81.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.30A 2rkgA-3u7sA:
20.0		 2rkgA-3u7sA:
79.00
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 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)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.45A 2rkgA-3u7sA:
20.0		 2rkgA-3u7sA:
79.00
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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
PRO A  81
 None
 0.51A 2rkgA-3uhlA:
16.4		 2rkgA-3uhlA:
76.00
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.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 LEU A 267
ASP A 269
GLY A 271
ALA A 272
PRO A 349
 None
None
None
SO4  A1387 (-3.4A)
None
 0.80A 2rkgA-4amtA:
8.2		 2rkgA-4amtA:
12.76
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.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 LEU A 178
ILE A 271
GLY A 313
ILE A 315
ILE A 219
 None
 0.88A 2rkgA-4avoA:
undetectable		 2rkgA-4avoA:
14.13
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.
4bc5 XYLULOSE KINASE

(Homo sapiens) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		6 LEU A 449
GLY A 441
ALA A 442
ILE A 412
GLY A 339
ILE A 448
 None
 1.47A 2rkgA-4bc5A:
undetectable		 2rkgA-4bc5A:
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.
4cw5 DFNA

(Bacillus
velezensis) 		PF03060
(NMO) 		5 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.87A 2rkgA-4cw5A:
undetectable		 2rkgA-4cw5A:
12.67
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.
4dsh UDP-GALACTOPYRANOSE
MUTASE

(Trypanosoma
cruzi) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		6 LEU A  35
GLY A  20
ALA A  21
ILE A   9
VAL A 448
ILE A  11
 None
 1.40A 2rkgA-4dshA:
undetectable		 2rkgA-4dshA:
11.09
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		6 ALA A 423
ILE A 398
VAL A 305
GLY A 417
ILE A 418
ILE A 424
 None
 1.32A 2rkgA-4fddA:
undetectable		 2rkgA-4fddA:
9.22
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.
4g09 HISTIDINOL
DEHYDROGENASE

(Brucella suis) 		PF00815
(Histidinol_dh) 		6 LEU A 240
ALA A 243
ASP A 244
GLY A 352
ILE A 351
ILE A 241
 None
 1.35A 2rkgA-4g09A:
undetectable		 2rkgA-4g09A:
12.50