SIMILAR PATTERNS OF AMINO ACIDS FOR 2R5P_B_MK1B902

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
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
ASP A  30
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.49A 2r5pA-1hvcA:
13.8		 2r5pA-1hvcA:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ASP A  30
VAL A  32
ILE A  47
GLY A  48
GLY A  49
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.47A 2r5pA-1hvcA:
13.8		 2r5pA-1hvcA:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ASP A  30
VAL A  32
ILE A  47
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.54A 2r5pA-1hvcA:
13.8		 2r5pA-1hvcA:
43.84
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 VAL A  32
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.90A 2r5pA-1hvcA:
13.8		 2r5pA-1hvcA:
43.84
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 VAL A  32
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.1A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.66A 2r5pA-1hvcA:
13.8		 2r5pA-1hvcA:
43.84
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 VAL A  32
ILE A  47
GLY A  48
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.6A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.66A 2r5pA-1hvcA:
13.8		 2r5pA-1hvcA:
43.84
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
ASP A  25
ASP A  29
GLY A  48
GLY A  49
 None
 1.34A 2r5pA-1sivA:
18.9		 2r5pA-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) 		7 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  48
GLY A  49
ILE A  84
 None
 0.51A 2r5pA-1sivA:
18.9		 2r5pA-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) 		7 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 None
 0.33A 2r5pA-1sivA:
18.9		 2r5pA-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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		5 LEU A 180
GLY A  46
ILE A  45
VAL A  16
ILE A 176
 None
 0.93A 2r5pA-1tf1A:
undetectable		 2r5pA-1tf1A:
17.73
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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A  70
VAL A 139
ILE A 120
VAL A  89
ILE A  91
 None
 0.90A 2r5pA-1vknA:
undetectable		 2r5pA-1vknA:
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 LEU A 167
ILE A 182
GLY A 217
ILE A 227
VAL A 188
 None
 1.04A 2r5pA-1wn1A:
undetectable		 2r5pA-1wn1A:
15.73
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.
1wsv AMINOMETHYLTRANSFERA
SE

(Homo sapiens) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 LEU A 152
VAL A 192
GLY A 166
VAL A 207
ILE A 205
 LEU  A 152 ( 0.6A)
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
 0.90A 2r5pA-1wsvA:
undetectable		 2r5pA-1wsvA:
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.
1zu4 FTSY

(Mycoplasma
mycoides) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		5 LEU A 388
ILE A 363
GLY A 361
VAL A 380
ILE A 378
 None
 0.82A 2r5pA-1zu4A:
undetectable		 2r5pA-1zu4A:
16.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cja SERYL-TRNA
SYNTHETASE

(Methanosarcina
barkeri) 		no annotation 5 LEU A 152
ASP A 108
GLY A 127
ILE A 125
ILE A 156
 None
 0.95A 2r5pA-2cjaA:
undetectable		 2r5pA-2cjaA:
11.86
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 ARG A   8
LEU A  23
ASP A  25
ILE A  53
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-4.6A)
LP1  A 201 (-4.2A)
 0.65A 2r5pA-2fmbA:
15.4		 2r5pA-2fmbA:
34.29
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) 		9 LEU A  23
ASP A  25
VAL A  32
ILE A  53
GLY A  54
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 None
LP1  A 201 (-2.3A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.60A 2r5pA-2fmbA:
15.4		 2r5pA-2fmbA:
34.29
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.
2fpq BOTULINUM NEUROTOXIN
D LIGHT CHAIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 LEU A 192
VAL A  45
ILE A  97
VAL A 156
ILE A 158
 None
 0.91A 2r5pA-2fpqA:
undetectable		 2r5pA-2fpqA:
14.66
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.
2h2q BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE

(Trypanosoma
cruzi) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		6 ARG A 208
LEU A 230
VAL A  27
ILE A  35
GLY A  34
GLY A  33
 None
None
NAP  A 523 ( 4.0A)
NAP  A 523 (-3.8A)
None
None
 1.26A 2r5pA-2h2qA:
undetectable		 2r5pA-2h2qA:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 299
GLY A 300
ILE A 102
VAL A 322
ILE A 320
 None
 0.94A 2r5pA-2o56A:
undetectable		 2r5pA-2o56A:
15.94
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.
2obx 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE
1

(Mesorhizobium
loti) 		PF00885
(DMRL_synthase) 		5 LEU A  75
GLY A  42
GLY A  41
ILE A  40
ILE A  14
 None
 1.00A 2r5pA-2obxA:
undetectable		 2r5pA-2obxA:
21.85
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.
2pvu ARTJ

(Geobacillus
stearothermophilus) 		PF00497
(SBP_bac_3) 		5 ASP A  46
ILE A  84
GLY A  83
GLY A  26
ILE A  66
 None
 1.06A 2r5pA-2pvuA:
undetectable		 2r5pA-2pvuA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qdl CHEMOTAXIS SIGNAL
TRANSDUCTION PROTEIN

(Caldanaerobacter
subterraneus) 		PF01584
(CheW) 		5 LEU A  95
VAL A  34
ILE A  14
VAL A  86
ILE A  84
 None
GOL  A 166 ( 4.5A)
None
None
None
 0.96A 2r5pA-2qdlA:
undetectable		 2r5pA-2qdlA:
23.17
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 ARG A   8
LEU A  23
ASP A  25
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.54A 2r5pA-2rkfA:
20.2		 2r5pA-2rkfA:
76.77
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
ASP A  29
GLY A  48
GLY A  49
ILE A  50
 None
AB1  A 501 (-2.4A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 1.29A 2r5pA-2rkfA:
20.2		 2r5pA-2rkfA:
76.77
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 LEU A  23
ASP A  25
ASP A  30
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.8A)
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)
 0.43A 2r5pA-2rkfA:
20.2		 2r5pA-2rkfA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3adp LAMBDA-CRYSTALLIN

(Oryctolagus
cuniculus) 		PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 ARG A  50
LEU A  72
ILE A  11
GLY A  18
ILE A  75
 None
 0.97A 2r5pA-3adpA:
undetectable		 2r5pA-3adpA:
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		5 LEU A  88
ILE A  70
GLY A  71
GLY A  72
ILE A 210
 None
 1.07A 2r5pA-3ayfA:
undetectable		 2r5pA-3ayfA:
8.80
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.
3dfu UNCHARACTERIZED
PROTEIN FROM
6-PHOSPHOGLUCONATE
DEHYDROGENASE-LIKE
FAMILY

(Corynebacterium
glutamicum) 		PF10727
(Rossmann-like) 		5 LEU A  60
VAL A  92
ILE A  79
GLY A  78
PRO A  84
 None
 0.93A 2r5pA-3dfuA:
undetectable		 2r5pA-3dfuA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3djw ORF99

(Acidianus
filamentous
virus 1) 		PF07118
(DUF1374) 		5 LEU A  27
VAL A  75
ILE A  42
GLY A  43
ILE A  90
 None
 1.04A 2r5pA-3djwA:
undetectable		 2r5pA-3djwA:
28.57
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.
3ehk PRUNIN

(Prunus dulcis) 		PF00190
(Cupin_1) 		5 ASP A 180
VAL A 182
GLY A  79
ILE A  55
ILE A  72
 None
 0.90A 2r5pA-3ehkA:
undetectable		 2r5pA-3ehkA:
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU A 370
ILE B 965
GLY B 966
PRO A 373
VAL A 372
 None
 0.85A 2r5pA-3h0gA:
undetectable		 2r5pA-3h0gA:
4.75
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.
3k7t 6-HYDROXY-L-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01593
(Amino_oxidase) 		5 LEU A 323
ILE A 337
GLY A 338
VAL A 292
ILE A 290
 None
 0.80A 2r5pA-3k7tA:
undetectable		 2r5pA-3k7tA:
13.23
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.
3krz NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Thermoanaerobacter
pseudethanolicus) 		PF00724
(Oxidored_FMN) 		5 LEU A 101
VAL A 215
ILE A 239
VAL A 160
ILE A 162
 None
 0.92A 2r5pA-3krzA:
undetectable		 2r5pA-3krzA:
16.11
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.
3ll5 GAMMA-GLUTAMYL
KINASE RELATED
PROTEIN

(Thermoplasma
acidophilum) 		PF00696
(AA_kinase) 		5 ARG A  18
VAL A  84
ILE A   6
GLY A   7
GLY A   8
 None
None
None
ADP  A 246 (-3.2A)
IPE  A 247 ( 3.5A)
 1.04A 2r5pA-3ll5A:
undetectable		 2r5pA-3ll5A:
18.52
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		5 ASP X 335
VAL X 336
ILE X 476
GLY X  35
ILE X  40
 None
 1.02A 2r5pA-3lxuX:
undetectable		 2r5pA-3lxuX:
5.06
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.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 185
ILE A 177
GLY A 178
GLY A 179
VAL A 310
 None
None
NAI  A 601 (-3.3A)
NAI  A 601 (-3.5A)
None
 0.97A 2r5pA-3meqA:
undetectable		 2r5pA-3meqA:
16.08
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 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  48
GLY A  49
ILE A  50
 None
 1.29A 2r5pA-3mwsA:
20.7		 2r5pA-3mwsA:
76.77
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 ARG A   8
LEU A  23
ASP A  25
ASP A  30
VAL A  32
PRO A  81
VAL A  82
ILE A  84
 None
 0.69A 2r5pA-3mwsA:
20.7		 2r5pA-3mwsA:
76.77
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) 		11 ARG A   8
LEU A  23
ASP A  25
VAL A  32
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
 None
 0.55A 2r5pA-3mwsA:
20.7		 2r5pA-3mwsA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n5m ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		5 ILE A 227
GLY A 226
GLY A 225
VAL A 254
ILE A 255
 None
 1.04A 2r5pA-3n5mA:
undetectable		 2r5pA-3n5mA:
13.64
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.
3oy2 GLYCOSYLTRANSFERASE
B736L

(Paramecium
bursaria
Chlorella virus
NY2A) 		no annotation 5 ASP A 147
ILE A 334
GLY A 335
GLY A 336
ILE A 337
 None
 0.73A 2r5pA-3oy2A:
undetectable		 2r5pA-3oy2A:
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.
3oyo HEMOPEXIN FOLD
PROTEIN CP4

(Vigna
unguiculata) 		PF00045
(Hemopexin) 		5 LEU A 150
VAL A 132
ILE A 104
VAL A 141
ILE A 143
 None
 1.02A 2r5pA-3oyoA:
undetectable		 2r5pA-3oyoA:
17.57
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.
3r9p ACKA

(Mycobacterium
avium) 		PF00871
(Acetate_kinase) 		5 LEU A 367
GLY A 350
GLY A 351
PRO A 370
VAL A 369
 None
GOL  A 388 ( 3.7A)
None
None
None
 0.91A 2r5pA-3r9pA:
undetectable		 2r5pA-3r9pA:
15.13
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 LEU A 308
ILE A 327
GLY A 284
GLY A 285
VAL A 372
 None
 0.79A 2r5pA-3rh9A:
undetectable		 2r5pA-3rh9A:
12.44
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.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 LEU A  52
ASP A  45
ILE A  42
GLY A  11
GLY A  10
 None
 1.01A 2r5pA-3s2uA:
undetectable		 2r5pA-3s2uA:
15.41
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 ARG A   8
VAL A  32
ILE A  47
GLY A  49
ILE A  50
 SO4  A 101 (-3.8A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.91A 2r5pA-3t3cA:
19.4		 2r5pA-3t3cA:
74.75
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
ASP A  30
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
 0.76A 2r5pA-3t3cA:
19.4		 2r5pA-3t3cA:
74.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 ARG A 266
VAL A 450
ILE A  55
GLY A  83
GLY A  82
 None
 1.02A 2r5pA-3t3oA:
undetectable		 2r5pA-3t3oA:
11.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ASP A  29
GLY A  48
GLY A  49
ILE A  50
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.3A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 1.29A 2r5pA-3ttpA:
20.0		 2r5pA-3ttpA:
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) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  30
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-4.6A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.57A 2r5pA-3ttpA:
20.0		 2r5pA-3ttpA:
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) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.48A 2r5pA-3ttpA:
20.0		 2r5pA-3ttpA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		6 ARG A 554
LEU A 567
VAL A 351
ILE A 430
GLY A 432
ILE A 356
 None
 1.30A 2r5pA-3u24A:
undetectable		 2r5pA-3u24A:
12.77
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 ARG A   8
LEU A  23
ASP A  25
ASP A  30
ILE A  47
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-4.0A)
 0.49A 2r5pA-3u7sA:
20.3		 2r5pA-3u7sA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ASP A  29
GLY A  48
GLY A  49
ILE A  50
 None
017  A 202 ( 2.5A)
017  A 201 (-3.2A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.21A 2r5pA-3u7sA:
20.3		 2r5pA-3u7sA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ASP A  30
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 ( 4.6A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
 0.59A 2r5pA-3u7sA:
20.3		 2r5pA-3u7sA:
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A1187
GLY A1188
ILE A1189
VAL A1142
ILE A1140
 None
 0.76A 2r5pA-3va7A:
undetectable		 2r5pA-3va7A:
6.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a5o BIFUNCTIONAL PROTEIN
FOLD

(Pseudomonas
aeruginosa) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 LEU A   5
VAL A 227
ILE A 221
GLY A 218
ILE A 256
 None
 1.07A 2r5pA-4a5oA:
undetectable		 2r5pA-4a5oA:
15.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 LEU A 145
ILE A 122
GLY A  72
ILE A 149
VAL A  68
 None
 0.76A 2r5pA-4a9aA:
undetectable		 2r5pA-4a9aA:
14.44
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.
4ccd GALACTOCEREBROSIDASE

(Mus musculus) 		PF02057
(Glyco_hydro_59)
PF17387
(Glyco_hydro_59M) 		5 LEU A 154
VAL A 159
ILE A  86
GLY A  87
GLY A  88
 None
 0.83A 2r5pA-4ccdA:
undetectable		 2r5pA-4ccdA:
10.19
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.
4ccw CARBOXYL ESTERASE NP

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		5 ARG A 256
GLY A 132
GLY A 133
ILE A 152
VAL A 224
 None
 0.90A 2r5pA-4ccwA:
undetectable		 2r5pA-4ccwA:
15.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dr9 PEPTIDE DEFORMYLASE

(Synechococcus
elongatus) 		PF01327
(Pep_deformylase) 		5 LEU A  51
ILE A  39
GLY A 134
VAL A  75
ILE A  47
 None
 1.07A 2r5pA-4dr9A:
undetectable		 2r5pA-4dr9A:
17.79
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.
4fix UDP-GALACTOFURANOSYL
TRANSFERASE GLFT2

(Mycobacterium
tuberculosis) 		PF13641
(Glyco_tranf_2_3) 		5 VAL A 239
ILE A 252
ILE A 192
VAL A 197
ILE A 196
 None
 1.02A 2r5pA-4fixA:
undetectable		 2r5pA-4fixA:
10.06
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 LEU A  29
ASP A   6
VAL A 120
ILE A 129
ILE A   4
 None
 1.00A 2r5pA-4kpoA:
undetectable		 2r5pA-4kpoA:
16.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 2r5pA-4lurA:
undetectable		 2r5pA-4lurA:
14.52
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.
4mo2 UDP-GALACTOPYRANOSE
MUTASE

(Campylobacter
jejuni) 		no annotation 5 LEU B   5
VAL B 206
ILE B  36
GLY B  37
GLY B  10
 None
None
None
None
FDA  B 402 (-3.5A)
 1.06A 2r5pA-4mo2B:
undetectable		 2r5pA-4mo2B:
13.97
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.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		5 LEU A 559
VAL A 237
GLY A 322
ILE A 327
ILE A 556
 None
 1.06A 2r5pA-4mzdA:
undetectable		 2r5pA-4mzdA:
10.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ni5 OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Brucella suis) 		PF13561
(adh_short_C2) 		5 VAL A  32
ILE A  34
GLY A  13
GLY A  18
ILE A  17
 None
 0.96A 2r5pA-4ni5A:
undetectable		 2r5pA-4ni5A:
18.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ASP A  30
VAL A  32
ILE A  84
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.3A)
 0.54A 2r5pA-4njvA:
20.3		 2r5pA-4njvA:
82.83
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
VAL A  32
ILE A  47
GLY A  48
GLY A  49
PRO A  81
ILE A  84
 None
RIT  A 500 (-2.4A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.49A 2r5pA-4njvA:
20.3		 2r5pA-4njvA:
82.83
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
VAL A  32
ILE A  47
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.62A 2r5pA-4njvA:
20.3		 2r5pA-4njvA:
82.83
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.
4nk6 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 VAL A 303
ILE A 316
GLY A 315
GLY A 292
ILE A 281
 MLY  A 304 ( 3.2A)
None
None
None
None
 0.95A 2r5pA-4nk6A:
undetectable		 2r5pA-4nk6A:
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.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 396
VAL A  76
ILE A 381
ILE A  87
ILE A 394
 None
 0.89A 2r5pA-4nkyA:
undetectable		 2r5pA-4nkyA:
13.46
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.
4ozy POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		5 VAL A 303
ILE A 316
GLY A 315
GLY A 292
ILE A 281
 None
 1.03A 2r5pA-4ozyA:
undetectable		 2r5pA-4ozyA:
13.09
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.
4qiw DNA-DIRECTED RNA
POLYMERASE, SUBUNIT
E'
DNA-DIRECTED RNA
POLYMERASE, SUBUNIT
F

(Thermococcus
kodakarensis) 		PF00575
(S1)
PF03874
(RNA_pol_Rpb4)
PF03876
(SHS2_Rpb7-N) 		5 ASP E  39
VAL E  45
ILE F   2
GLY F   3
ILE E  37
 None
 1.01A 2r5pA-4qiwE:
undetectable		 2r5pA-4qiwE:
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.
4xcv NADP-DEPENDENT
2-HYDROXYACID
DEHYDROGENASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		5 LEU A  66
GLY A  73
GLY A  72
ILE A  11
ILE A  69
 None
 1.07A 2r5pA-4xcvA:
undetectable		 2r5pA-4xcvA:
18.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		5 ARG A  10
LEU A  30
ASP A  32
VAL A  39
ILE A 100
 None
None
4B1  A 201 (-2.9A)
None
4B1  A 201 (-4.8A)
 0.64A 2r5pA-4ydfA:
13.5		 2r5pA-4ydfA:
35.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A  36
VAL A 296
ILE A 267
VAL A  10
ILE A  12
 None
 0.99A 2r5pA-4z26A:
undetectable		 2r5pA-4z26A:
10.85
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.
4z6k ALCOHOL
DEHYDROGENASE

(Moraxella sp.
TAE123) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 VAL A 181
ILE A 173
GLY A 174
GLY A 175
VAL A 304
 None
 1.01A 2r5pA-4z6kA:
undetectable		 2r5pA-4z6kA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bqn BOTULINUM NEUROTOXIN
TYPE D,BOTULINUM
NEUROTOXIN TYPE D

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 LEU A 192
VAL A  45
ILE A  97
VAL A 156
ILE A 158
 None
 0.91A 2r5pA-5bqnA:
undetectable		 2r5pA-5bqnA:
8.38
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.
5cdi CHAPERONIN 60B1

(Chlamydomonas
reinhardtii) 		PF00118
(Cpn60_TCP1) 		5 VAL A 468
ILE A 454
GLY A 417
GLY A 416
ILE A 498
 None
 0.83A 2r5pA-5cdiA:
undetectable		 2r5pA-5cdiA:
13.27
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.
5i0p BETA-LACTAMASE
DOMAIN PROTEIN

(Burkholderia
ambifaria) 		PF00753
(Lactamase_B) 		5 LEU A  47
VAL A  90
GLY A 101
ILE A  70
ILE A  60
 None
 0.97A 2r5pA-5i0pA:
undetectable		 2r5pA-5i0pA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A1187
GLY A1188
ILE A1189
VAL A1142
ILE A1140
 None
 0.76A 2r5pA-5i8iA:
undetectable		 2r5pA-5i8iA:
4.83
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.
5ija HYDROGENASE-SPECIFIC
MATURATION
ENDOPEPTIDASE

(Thermococcus
kodakarensis) 		PF01750
(HycI) 		5 VAL A  69
ILE A 142
ILE A  25
VAL A 132
ILE A 117
 None
 0.91A 2r5pA-5ijaA:
undetectable		 2r5pA-5ijaA:
18.24
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.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ARG A  96
VAL A 376
ILE A 124
GLY A 125
GLY A 126
 NAP  A 501 (-4.0A)
AKG  A 502 (-4.1A)
None
None
None
 0.87A 2r5pA-5ijzA:
undetectable		 2r5pA-5ijzA:
13.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 LEU A 697
VAL A 727
ILE A 717
GLY A 715
ILE A 700
 None
 0.84A 2r5pA-5kf7A:
undetectable		 2r5pA-5kf7A:
6.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mkt RENIN-1

(Mus musculus) 		no annotation 5 LEU A  87
VAL A 147
GLY A 144
GLY A 143
ILE A  11
 None
 1.02A 2r5pA-5mktA:
8.2		 2r5pA-5mktA:
20.75
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.
5mu3 CENTRAL KINETOCHORE
SUBUNIT MCM21

(Kluyveromyces
lactis) 		no annotation 5 LEU A 124
VAL A 155
ILE A 180
ILE A 187
ILE A 137
 None
 0.87A 2r5pA-5mu3A:
undetectable		 2r5pA-5mu3A:
19.02
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 ARG A   8
LEU A  23
ASP A  25
PRO A  81
ILE A  84
 None
 0.67A 2r5pA-5t2zA:
19.6		 2r5pA-5t2zA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ASP A  29
GLY A  49
ILE A  50
 None
 0.98A 2r5pA-5t2zA:
19.6		 2r5pA-5t2zA:
75.76
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
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.55A 2r5pA-5t2zA:
19.6		 2r5pA-5t2zA:
75.76
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
VAL A  32
ILE A  47
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 None
 0.58A 2r5pA-5t2zA:
19.6		 2r5pA-5t2zA:
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.
5txw PEPTIDASE

(Thermococcus
thioreducens) 		PF01965
(DJ-1_PfpI) 		5 VAL A  76
GLY A  70
GLY A  69
ILE A  99
ILE A 105
 None
OCS  A 100 ( 3.7A)
OCS  A 100 ( 3.0A)
OCS  A 100 ( 3.7A)
None
 0.98A 2r5pA-5txwA:
undetectable		 2r5pA-5txwA:
19.88
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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 5 LEU A 165
GLY A 199
ILE A 201
VAL A 191
ILE A 161
 None
 1.06A 2r5pA-5ve8A:
undetectable		 2r5pA-5ve8A:
7.04
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.
5w8p HOMOSERINE
O-ACETYLTRANSFERASE

(Mycobacteroides
abscessus) 		PF00561
(Abhydrolase_1) 		5 ARG A 238
ASP A 327
VAL A 351
GLY A 159
ILE A 324
 None
 0.92A 2r5pA-5w8pA:
undetectable		 2r5pA-5w8pA:
14.79
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.
6ao1 BETA-LACTAMASE
DOMAIN PROTEIN

(Paraburkholderia
phymatum) 		PF00753
(Lactamase_B) 		5 LEU A  47
VAL A  90
GLY A 101
ILE A  70
ILE A  60
 None
 0.97A 2r5pA-6ao1A:
undetectable		 2r5pA-6ao1A:
14.53
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.
6b4j NUCLEOPORIN GLE1

(Homo sapiens) 		no annotation 5 LEU B 524
ILE B 509
GLY B 508
VAL B 485
ILE B 520
 None
 0.97A 2r5pA-6b4jB:
undetectable		 2r5pA-6b4jB:
25.74
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.
6eki CARBONIC ANHYDRASE

(Persephonella
marina) 		no annotation 5 ARG A 247
ILE A 152
GLY A 150
VAL A  63
ILE A  65
 None
 0.87A 2r5pA-6ekiA:
undetectable		 2r5pA-6ekiA:
19.19
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
ASP A  30
GLY A  48
GLY A  49
ILE A  50
PRO A  81
ILE A  84
 NIU  A 100 (-2.8A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
 0.71A 2r5pA-6upjA:
18.3		 2r5pA-6upjA:
50.51
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
ASP A  30
GLY A  48
GLY A  49
ILE A  50
ILE A  84
 None
NIU  A 100 (-2.8A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.64A 2r5pA-6upjA:
18.3		 2r5pA-6upjA:
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.
1am5 PEPSIN

(Gadus morhua) 		PF00026
(Asp) 		6 ASP A 215
GLY A 217
ASP A 303
VAL A 222
VAL A 291
ILE A 300
 None
 1.19A 2r5pB-1am5A:
7.9		 2r5pB-1am5A:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.88A 2r5pB-1cziE:
7.0		 2r5pB-1cziE:
18.25
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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ALA B  84
VAL B 128
ILE B  70
GLY B  87
ILE B  75
 None
 0.89A 2r5pB-1e9yB:
undetectable		 2r5pB-1e9yB:
11.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  52
ALA A  51
GLY A 130
VAL A  46
ILE A  48
 None
 0.89A 2r5pB-1h2bA:
undetectable		 2r5pB-1h2bA:
16.44
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) 		6 ALA A  28
ASP A  29
GLY A  48
PRO A  81
VAL A  82
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 (-4.5A)
A79  A 800 (-3.8A)
 0.97A 2r5pB-1hvcA:
13.8		 2r5pB-1hvcA:
43.84
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
VAL A  82
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.72A 2r5pB-1hvcA:
13.8		 2r5pB-1hvcA:
43.84
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) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 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 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.60A 2r5pB-1hvcA:
13.8		 2r5pB-1hvcA:
43.84
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) 		11 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 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 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.47A 2r5pB-1hvcA:
13.8		 2r5pB-1hvcA:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  50
ILE A  84
 A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.6A)
 1.32A 2r5pB-1hvcA:
13.8		 2r5pB-1hvcA:
43.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
VAL A  32
ILE A  50
ILE A  84
 A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.8A)
A79  A 800 (-3.8A)
 1.30A 2r5pB-1hvcA:
13.8		 2r5pB-1hvcA:
43.84
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.
1j6u UDP-N-ACETYLMURAMATE
-ALANINE LIGASE MURC

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 363
ASP A 323
GLY A 358
PRO A 347
ILE A 325
 None
 0.89A 2r5pB-1j6uA:
undetectable		 2r5pB-1j6uA:
10.87
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.
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
 0.83A 2r5pB-1kaeA:
undetectable		 2r5pB-1kaeA:
13.52
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.
1llu ALCOHOL
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  42
ILE A  64
GLY A 119
VAL A  36
ILE A  38
 None
 0.83A 2r5pB-1lluA:
undetectable		 2r5pB-1lluA:
19.80
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.
1pv9 XAA-PRO DIPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 GLY A  92
ASP A 116
VAL A 117
GLY A  89
ILE A 118
 None
 0.90A 2r5pB-1pv9A:
undetectable		 2r5pB-1pv9A:
14.86
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
VAL A  32
ILE A  84
 None
 0.48A 2r5pB-1q9pA:
9.9		 2r5pB-1q9pA:
89.47
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  30
VAL A  32
PRO A  81
ILE A  84
 None
 0.97A 2r5pB-1q9pA:
9.9		 2r5pB-1q9pA:
89.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qah PERCHLORIC ACID
SOLUBLE PROTEIN

(Rattus
norvegicus) 		PF01042
(Ribonuc_L-PSP) 		5 GLY A  69
ALA A  68
ILE A  64
GLY A  62
ILE A  30
 None
 0.89A 2r5pB-1qahA:
undetectable		 2r5pB-1qahA:
21.01
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.
1shw EPHRIN TYPE-B
RECEPTOR 2

(Mus musculus) 		PF01404
(Ephrin_lbd) 		6 GLY B 290
ALA B 291
VAL B 400
ILE B 286
GLY B 381
ILE B 294
 None
 1.49A 2r5pB-1shwB:
undetectable		 2r5pB-1shwB:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 None
 0.33A 2r5pB-1sivA:
18.9		 2r5pB-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) 		6 ASP A  25
ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.97A 2r5pB-1sivA:
18.9		 2r5pB-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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 GLY A 188
ALA A 189
ASP A 190
VAL A 127
ILE A 158
 None
 0.67A 2r5pB-1to3A:
undetectable		 2r5pB-1to3A:
15.53
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.
1vma CELL DIVISION
PROTEIN FTSY

(Thermotoga
maritima) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		6 ALA A 128
ASP A 129
ASP A 181
PRO A 211
VAL A  94
ILE A 180
 None
 1.49A 2r5pB-1vmaA:
undetectable		 2r5pB-1vmaA:
16.61
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.
1vq0 33 KDA CHAPERONIN

(Thermotoga
maritima) 		PF01430
(HSP33) 		5 GLY A 111
VAL A  73
ILE A  70
GLY A 106
ILE A  64
 None
 0.81A 2r5pB-1vq0A:
undetectable		 2r5pB-1vq0A:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		6 GLY A 539
ALA A 538
ASP A 537
GLY A 529
PRO A 475
VAL A 474
 None
 1.08A 2r5pB-1yr2A:
undetectable		 2r5pB-1yr2A:
8.46
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.
1zno HYPOTHETICAL UPF0244
PROTEIN VC0702

(Vibrio cholerae) 		PF01931
(NTPase_I-T) 		5 ARG A  74
GLY A  77
ALA A  78
VAL A  44
ILE A  14
 None
 0.75A 2r5pB-1znoA:
undetectable		 2r5pB-1znoA:
20.56
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		6 GLY A 497
ALA A 496
ASP A 495
GLY A 487
PRO A 431
VAL A 430
 None
 1.11A 2r5pB-2bklA:
undetectable		 2r5pB-2bklA:
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.
2czt PROSTAGLANDIN-H2
D-ISOMERASE

(Mus musculus) 		PF00061
(Lipocalin) 		5 GLY A 100
ALA A  99
VAL A 118
GLY A  76
VAL A 120
 None
 0.87A 2r5pB-2cztA:
undetectable		 2r5pB-2cztA:
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.
2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 308
ALA A 307
ILE A 351
VAL A 357
ILE A 253
 None
 0.88A 2r5pB-2ffuA:
undetectable		 2r5pB-2ffuA:
12.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		6 ARG A   8
ASP A  25
GLY A  27
ILE A  53
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.68A 2r5pB-2fmbA:
15.1		 2r5pB-2fmbA:
34.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ASP A  25
ALA A  28
ASP A  29
VAL A  32
GLY A  54
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-3.6A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 1.03A 2r5pB-2fmbA:
15.1		 2r5pB-2fmbA:
34.29
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  53
GLY A  55
PRO A  86
VAL A  87
ILE A  89
 LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.50A 2r5pB-2fmbA:
15.1		 2r5pB-2fmbA:
34.29
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.
2hk7 SHIKIMATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		6 GLY A 146
ALA A 147
VAL A 183
ILE A 118
VAL A 128
ILE A 126
 None
 1.00A 2r5pB-2hk7A:
undetectable		 2r5pB-2hk7A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o7q BIFUNCTIONAL
3-DEHYDROQUINATE
DEHYDRATASE/SHIKIMAT
E DEHYDROGENASE

(Arabidopsis
thaliana) 		PF01487
(DHquinase_I)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 GLY A 236
ALA A 237
ASP A 238
ILE A 210
ILE A 232
 None
 0.83A 2r5pB-2o7qA:
undetectable		 2r5pB-2o7qA:
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.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		5 GLY A 179
ALA A 180
ASP A 181
ILE A 149
VAL A 120
 None
 0.88A 2r5pB-2qjgA:
undetectable		 2r5pB-2qjgA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		5 GLY A 728
ALA A 727
ASP A 755
VAL A 774
ILE A 780
 None
 0.83A 2r5pB-2qmaA:
undetectable		 2r5pB-2qmaA:
12.18
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 GLY A  63
ALA A  62
GLY A  57
VAL A 279
ILE A 280
 None
 0.81A 2r5pB-2ri6A:
undetectable		 2r5pB-2ri6A:
15.41
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 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.89A 2r5pB-2rkfA:
20.3		 2r5pB-2rkfA:
76.77
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) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
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 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.53A 2r5pB-2rkfA:
20.3		 2r5pB-2rkfA:
76.77
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 ARG A  10
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.86A 2r5pB-2rspA:
12.8		 2r5pB-2rspA:
34.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 ALA A  46
ASP A  47
VAL A  69
ILE A  50
ILE A  67
 None
 0.87A 2r5pB-2vcaA:
undetectable		 2r5pB-2vcaA:
7.98
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.
2yb6 UBIQUITIN-CONJUGATIN
G ENZYME E2 B

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLY A  26
ALA A  38
VAL A  70
ILE A 109
ILE A  57
 None
 0.85A 2r5pB-2yb6A:
undetectable		 2r5pB-2yb6A:
19.75
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 359
ALA A 360
ASP A 361
PRO A  24
ILE A 356
 None
 0.84A 2r5pB-3dbgA:
undetectable		 2r5pB-3dbgA:
10.92
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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		5 ASP A  72
GLY A  52
ASP A  48
VAL A 101
GLY A 118
 SAM  A 220 (-2.9A)
SAM  A 220 (-3.2A)
SAM  A 220 ( 4.9A)
SAM  A 220 ( 4.2A)
SAM  A 220 (-4.7A)
 0.90A 2r5pB-3dlcA:
undetectable		 2r5pB-3dlcA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ew7 LMO0794 PROTEIN

(Listeria
monocytogenes) 		PF13460
(NAD_binding_10) 		6 GLY A   7
ALA A  68
ASP A  67
VAL A 194
GLY A   4
ILE A  16
 None
 1.34A 2r5pB-3ew7A:
undetectable		 2r5pB-3ew7A:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.88A 2r5pB-3fbsA:
undetectable		 2r5pB-3fbsA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 211
ALA A 212
ASP A 214
GLY A 192
VAL A 240
 None
 0.86A 2r5pB-3fpcA:
undetectable		 2r5pB-3fpcA:
18.63
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.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.83A 2r5pB-3fs2A:
undetectable		 2r5pB-3fs2A:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  43
ILE A  66
GLY A  97
VAL A  37
ILE A  39
 None
 0.76A 2r5pB-3gazA:
undetectable		 2r5pB-3gazA:
14.24
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 976
GLY A 975
ALA A 971
ILE A 811
GLY A 598
 None
 0.90A 2r5pB-3iayA:
undetectable		 2r5pB-3iayA:
8.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k88 CHLOROPHENOL-4-MONOO
XYGENASE COMPONENT 1

(Burkholderia
cepacia) 		PF01613
(Flavin_Reduct) 		5 GLY A1121
ALA A1122
VAL A1036
ILE A1076
GLY A1080
 None
 0.88A 2r5pB-3k88A:
undetectable		 2r5pB-3k88A:
19.55
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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		6 GLY A  63
ALA A  66
VAL A  76
ILE A 198
VAL A  79
ILE A  78
 None
 1.39A 2r5pB-3ka7A:
undetectable		 2r5pB-3ka7A:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 GLY A4099
ALA A4098
VAL A4042
ILE A3991
GLY A3993
 None
 0.88A 2r5pB-3kciA:
undetectable		 2r5pB-3kciA:
14.58
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ALA A 355
VAL A 399
ILE A 341
GLY A 358
ILE A 346
 None
 0.89A 2r5pB-3la4A:
undetectable		 2r5pB-3la4A:
8.37
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.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  40
ILE A  62
GLY A 117
VAL A  34
ILE A  36
 None
 0.86A 2r5pB-3meqA:
undetectable		 2r5pB-3meqA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mg6 PROTEASOME COMPONENT
PRE3

(Saccharomyces
cerevisiae) 		no annotation 5 GLY N  98
ALA N  97
GLY N 117
VAL N  59
ILE N  55
 None
 0.89A 2r5pB-3mg6N:
undetectable		 2r5pB-3mg6N:
17.55
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.
3mgl SULFATE PERMEASE
FAMILY PROTEIN

(Vibrio cholerae) 		PF01740
(STAS) 		6 GLY A 538
ALA A 539
ILE A 507
GLY A 509
VAL A 444
ILE A 474
 IOD  A 604 ( 3.7A)
None
None
IOD  A 602 ( 3.7A)
None
None
 1.01A 2r5pB-3mglA:
undetectable		 2r5pB-3mglA:
22.48
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 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 1.03A 2r5pB-3mwsA:
20.0		 2r5pB-3mwsA:
76.77
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 ALA A  28
ASP A  30
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 None
 1.42A 2r5pB-3mwsA:
20.0		 2r5pB-3mwsA:
76.77
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) 		12 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.56A 2r5pB-3mwsA:
20.0		 2r5pB-3mwsA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		5 GLY A 224
ALA A 225
ASP A 226
VAL A 207
ILE A 261
 PO4  A 767 ( 4.6A)
None
None
None
None
 0.87A 2r5pB-3o8lA:
undetectable		 2r5pB-3o8lA:
8.84
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.82A 2r5pB-3opyA:
undetectable		 2r5pB-3opyA:
9.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pet PUTATIVE ADHESIN

(Bacteroides
fragilis) 		PF10988
(DUF2807) 		5 GLY A  50
ALA A  49
ASP A  48
ILE A 116
ILE A  55
 PG4  A 251 ( 4.2A)
None
None
None
None
 0.86A 2r5pB-3petA:
undetectable		 2r5pB-3petA:
19.63
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.
3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00171
(Aldedh) 		5 GLY A 285
ALA A 286
ILE A 389
VAL A 396
ILE A 394
 GLY  A 285 ( 0.0A)
ALA  A 286 ( 0.0A)
ILE  A 389 ( 0.7A)
VAL  A 396 ( 0.6A)
ILE  A 394 ( 0.7A)
 0.87A 2r5pB-3r64A:
undetectable		 2r5pB-3r64A:
11.99
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.
3s2g ZINC-CONTAINING
ALCOHOL
DEHYDROGENASE
SUPERFAMILY

(Cupriavidus
pinatubonensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  40
ILE A  62
GLY A 117
VAL A  34
ILE A  36
 None
 0.84A 2r5pB-3s2gA:
undetectable		 2r5pB-3s2gA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.49A 2r5pB-3slzA:
11.3		 2r5pB-3slzA:
24.43
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.74A 2r5pB-3slzA:
11.3		 2r5pB-3slzA:
24.43
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) 		10 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-3.8A)
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
None
017  A 201 (-4.0A)
None
 0.93A 2r5pB-3t3cA:
18.5		 2r5pB-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 ALA A  28
ASP A  29
ASP A  30
GLY A  48
ILE A  84
 017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
None
017  A 201 (-4.7A)
 0.88A 2r5pB-3ttpA:
20.0		 2r5pB-3ttpA:
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) 		6 ARG A   8
ASP A  25
ALA A  28
ASP A  30
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.45A 2r5pB-3ttpA:
20.0		 2r5pB-3ttpA:
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
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
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 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.48A 2r5pB-3ttpA:
20.0		 2r5pB-3ttpA:
76.77
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 ARG A   8
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 1.45A 2r5pB-3u7sA:
20.2		 2r5pB-3u7sA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
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)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.68A 2r5pB-3u7sA:
20.2		 2r5pB-3u7sA:
75.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.49A 2r5pB-3uhlA:
16.3		 2r5pB-3uhlA:
76.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aa9 CHYMOSIN

(Camelus
dromedarius) 		PF00026
(Asp) 		5 ASP A  34
GLY A  36
ASP A  39
ILE A  75
ILE A 122
 None
None
None
SO4  A1332 (-4.4A)
None
 0.69A 2r5pB-4aa9A:
8.5		 2r5pB-4aa9A:
19.85
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.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		6 GLY A  46
ALA A  33
ASP A  34
VAL A  65
ILE A  19
ILE A  24
 None
 1.31A 2r5pB-4cntA:
undetectable		 2r5pB-4cntA:
9.98
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 ALA B 355
VAL B 399
ILE B 341
GLY B 358
ILE B 346
 None
 0.82A 2r5pB-4g7eB:
undetectable		 2r5pB-4g7eB:
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.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		6 GLY A  11
ALA A  50
ASP A  49
VAL A 435
VAL A 399
ILE A 401
 None
 1.20A 2r5pB-4gz7A:
undetectable		 2r5pB-4gz7A:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gz7 DIHYDROPYRIMIDINASE

(Tetraodon
nigroviridis) 		PF01979
(Amidohydro_1) 		6 GLY A  12
ALA A  50
ASP A  49
VAL A 435
VAL A 399
ILE A 401
 None
 1.33A 2r5pB-4gz7A:
undetectable		 2r5pB-4gz7A:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k5u VARIABLE LYMPHOCYTE
RECEPTOR

(Petromyzon
marinus) 		no annotation 5 GLY B  63
GLY B  18
PRO B  25
VAL B  24
ILE B  42
 None
 0.82A 2r5pB-4k5uB:
undetectable		 2r5pB-4k5uB:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 GLY A 346
ALA A 349
VAL A   7
ILE A 256
GLY A 171
ILE A 237
 None
 1.40A 2r5pB-4ls5A:
undetectable		 2r5pB-4ls5A:
13.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
GLY A  48
PRO A  81
ILE A  84
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.91A 2r5pB-4njvA:
20.6		 2r5pB-4njvA:
82.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 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 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.63A 2r5pB-4njvA:
20.6		 2r5pB-4njvA:
82.83
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 ASP A 170
GLY A 172
ALA A 173
PRO A 131
ILE A 165
 None
 0.83A 2r5pB-4o1eA:
undetectable		 2r5pB-4o1eA:
18.91
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.
4pcg VP1

(Human
polyomavirus 6) 		PF00718
(Polyoma_coat) 		6 ALA A 194
ASP A 195
ASP A 144
VAL A 182
GLY A 147
PRO A 188
 None
 1.37A 2r5pB-4pcgA:
undetectable		 2r5pB-4pcgA:
18.73
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.
4r0v FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		5 GLY A 258
VAL A  91
GLY A 118
VAL A 220
ILE A 222
 None
 0.86A 2r5pB-4r0vA:
undetectable		 2r5pB-4r0vA:
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.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		5 GLY A 281
ALA A 280
GLY A 275
VAL A 259
ILE A 260
 None
 0.89A 2r5pB-4r2bA:
undetectable		 2r5pB-4r2bA:
15.13
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ASP A 345
GLY A 350
ASP A 290
VAL A 343
GLY A 371
 None
 0.89A 2r5pB-4tqkA:
undetectable		 2r5pB-4tqkA:
13.17
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
ASP A  32
GLY A  34
ASP A  36
VAL A  39
GLY A  58
ILE A 100
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.76A 2r5pB-4ydfA:
13.1		 2r5pB-4ydfA:
35.34
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 ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
GLY A  58
ILE A 100
 4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.53A 2r5pB-4ydfA:
13.1		 2r5pB-4ydfA:
35.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ywl CELL DIVISION
CONTROL PROTEIN 21

(Pyrococcus
furiosus) 		PF14551
(MCM_N)
PF17207
(MCM_OB) 		5 VAL A 221
ILE A 187
GLY A 205
VAL A 214
ILE A 249
 None
 0.88A 2r5pB-4ywlA:
undetectable		 2r5pB-4ywlA:
17.01
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
GLY A  27
ALA A  28
ASP A  29
PRO A  81
 None
 0.78A 2r5pB-5b18A:
18.5		 2r5pB-5b18A:
72.73
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
PRO A  81
ILE A  84
 None
 0.48A 2r5pB-5b18A:
18.5		 2r5pB-5b18A:
72.73
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 GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 1.23A 2r5pB-5b18A:
18.5		 2r5pB-5b18A:
72.73
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.
5epa SNOK

(Streptomyces
nogalater) 		PF05721
(PhyH) 		5 VAL A 201
ILE A  88
GLY A  90
VAL A  27
ILE A  29
 None
 0.79A 2r5pB-5epaA:
undetectable		 2r5pB-5epaA:
15.77
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.
5i1w CRMK

(Actinoalloteichus
sp. WH1-2216-6) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		6 GLY A 128
ALA A 129
ILE A 197
GLY A 191
VAL A 149
ILE A 133
 FAD  A 601 (-3.7A)
None
FAD  A 601 (-3.6A)
FAD  A 601 (-3.3A)
None
None
 1.37A 2r5pB-5i1wA:
undetectable		 2r5pB-5i1wA:
10.78
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.
5ilg PHOTORECEPTOR
DEHYDROGENASE,
ISOFORM C

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 GLY A  15
ALA A  14
ASP A  40
VAL A  33
ILE A  35
 NAD  A 302 (-3.6A)
EDO  A 306 (-3.6A)
None
None
None
 0.79A 2r5pB-5ilgA:
undetectable		 2r5pB-5ilgA:
18.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4c PROLYL
OLIGOPEPTIDASE

(Galerina
marginata) 		no annotation 6 ALA A 598
ILE A 655
GLY A 580
PRO A 640
VAL A 588
ILE A 587
 None
 1.40A 2r5pB-5n4cA:
undetectable		 2r5pB-5n4cA:
9.02
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.
5nfg PROCARDOSIN-B,PROCAR
DOSIN-B

(Cynara
cardunculus) 		no annotation 5 ASP A  80
GLY A  82
ASP A  85
ILE A 122
ILE A 169
 None
 0.75A 2r5pB-5nfgA:
7.2		 2r5pB-5nfgA:
13.98
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 ARG A   8
ASP A  25
GLY A  27
PRO A  81
ILE A  84
 None
 0.67A 2r5pB-5t2zA:
19.8		 2r5pB-5t2zA:
75.76
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.53A 2r5pB-5t2zA:
19.8		 2r5pB-5t2zA:
75.76