SIMILAR PATTERNS OF AMINO ACIDS FOR 1T3R_A_017A1200_2

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


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


(Bacillus
subtilis)
PF02110
(HK)
5 LEU A 215
ALA A 119
VAL A 204
GLY A 122
ILE A 167
None
0.90A 1t3rB-1ekqA:
undetectable
1t3rB-1ekqA:
16.54
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.
1g5u PROFILIN

(Hevea
brasiliensis)
PF00235
(Profilin)
5 LEU A1101
ALA A1024
VAL A1032
GLY A1068
ILE A1026
None
0.97A 1t3rB-1g5uA:
undetectable
1t3rB-1g5uA:
23.26
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
PRO A  81
ILE A  84
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
1.43A 1t3rB-1hvcA:
14.1
1t3rB-1hvcA:
48.28
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
PRO A  81
VAL A  82
ILE A  84
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
1.35A 1t3rB-1hvcA:
14.1
1t3rB-1hvcA:
48.28
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
ALA A  28
ASP A  30
VAL A  32
ILE A  50
PRO A  81
VAL A  82
ILE A  84
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
0.69A 1t3rB-1hvcA:
14.1
1t3rB-1hvcA:
48.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
8 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
VAL A  82
ILE A  84
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
0.55A 1t3rB-1hvcA:
14.1
1t3rB-1hvcA:
48.28
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
GLY A  48
PRO A  81
VAL A  82
ILE A  84
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
1.05A 1t3rB-1hvcA:
14.1
1t3rB-1hvcA:
48.28
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
VAL A  32
GLY A  48
VAL A  82
ILE A  84
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
1.10A 1t3rB-1hvcA:
14.1
1t3rB-1hvcA:
48.28
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
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
0.51A 1t3rB-1hvcA:
14.1
1t3rB-1hvcA:
48.28
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
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.3A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
0.48A 1t3rB-1hvcA:
14.1
1t3rB-1hvcA:
48.28
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  30
VAL A  32
GLY A  51
VAL A  82
ILE A  84
A79  A 800 ( 3.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
None
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
1.02A 1t3rB-1hvcA:
14.1
1t3rB-1hvcA:
48.28
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  30
VAL A  32
GLY A  51
VAL A  82
ILE A  84
A79  A 800 ( 4.0A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
None
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
1.04A 1t3rB-1hvcA:
14.1
1t3rB-1hvcA:
48.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iq7 OVOTRANSFERRIN

(Gallus gallus)
PF00405
(Transferrin)
5 ARG A 344
LEU A 607
ALA A 391
GLY A 387
ILE A 604
None
0.94A 1t3rB-1iq7A:
undetectable
1t3rB-1iq7A:
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.
1nov NODAMURA VIRUS COAT
PROTEINS


(Nodamura virus)
PF01829
(Peptidase_A6)
5 LEU A 113
ALA A 173
VAL A 190
VAL A 301
ILE A 299
None
0.89A 1t3rB-1novA:
undetectable
1t3rB-1novA:
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE


(Methylophilus
methylotrophus)
PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2)
5 LEU A 650
GLY A 668
ILE A 666
VAL A 395
ILE A 485
ADP  A1731 ( 4.6A)
None
None
ADP  A1731 (-4.7A)
None
0.96A 1t3rB-1o94A:
undetectable
1t3rB-1o94A:
10.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens)
PF00077
(RVP)
6 ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
None
0.59A 1t3rB-1q9pA:
9.9
1t3rB-1q9pA:
91.58
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.
1shs SMALL HEAT SHOCK
PROTEIN


(Methanocaldococcus
jannaschii)
PF00011
(HSP20)
5 LEU A 133
ALA A 113
GLY A  34
VAL A  56
ILE A  54
None
0.91A 1t3rB-1shsA:
undetectable
1t3rB-1shsA:
20.41
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
ALA A  28
ASP A  29
PRO A  81
ILE A  84
None
1.49A 1t3rB-1sivA:
18.5
1t3rB-1sivA:
49.49
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
ALA A  28
ASP A  30
PRO A  81
ILE A  84
None
0.66A 1t3rB-1sivA:
18.5
1t3rB-1sivA:
49.49
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
0.53A 1t3rB-1sivA:
18.5
1t3rB-1sivA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus)
PF00077
(RVP)
5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
None
0.79A 1t3rB-1sivA:
18.5
1t3rB-1sivA:
49.49
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.
1szq 2-METHYLCITRATE
DEHYDRATASE


(Escherichia
coli)
PF03972
(MmgE_PrpD)
5 LEU A 409
ALA A 299
ILE A 354
VAL A 320
ILE A 407
None
0.92A 1t3rB-1szqA:
undetectable
1t3rB-1szqA:
14.36
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT


(Thermotoga
maritima)
PF13393
(tRNA-synt_His)
5 ALA C 251
VAL C 114
ILE C 238
VAL C 109
ILE C 113
None
0.67A 1t3rB-1usyC:
undetectable
1t3rB-1usyC:
16.86
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.
1v5f PYRUVATE OXIDASE

(Aerococcus
viridans)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ASP A 388
ALA A 444
ASP A 442
VAL A 466
ILE A 440
None
TPP  A1602 (-3.7A)
MG  A1603 ( 2.8A)
None
None
0.85A 1t3rB-1v5fA:
undetectable
1t3rB-1v5fA:
10.98
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.
1wdt ELONGATION FACTOR G
HOMOLOG


(Thermus
thermophilus)
PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II)
5 ALA A 237
VAL A 213
GLY A 231
VAL A 208
ILE A 212
None
0.87A 1t3rB-1wdtA:
undetectable
1t3rB-1wdtA:
8.86
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.
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)
0.73A 1t3rB-1wsvA:
undetectable
1t3rB-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.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN


(Pyrococcus
horikoshii)
PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C)
5 LEU A 376
ALA A 374
VAL A 328
VAL A 391
ILE A 393
None
0.89A 1t3rB-1wu2A:
undetectable
1t3rB-1wu2A:
16.85
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
ALA A  28
VAL A  32
GLY A  54
PRO A  86
VAL A  87
ILE A  89
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
1.13A 1t3rB-2fmbA:
15.1
1t3rB-2fmbA:
34.62
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
ALA A  28
VAL A  32
GLY A  55
PRO A  86
VAL A  87
ILE A  89
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
0.58A 1t3rB-2fmbA:
15.1
1t3rB-2fmbA:
34.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hc8 CATION-TRANSPORTING
ATPASE, P-TYPE


(Archaeoglobus
fulgidus)
PF00122
(E1-E2_ATPase)
5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
None
0.77A 1t3rB-2hc8A:
undetectable
1t3rB-2hc8A:
25.81
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.
2ki7 RIBONUCLEASE P
PROTEIN COMPONENT 1


(Pyrococcus
furiosus)
PF01868
(UPF0086)
5 ASP A  72
VAL A  70
GLY A 110
ILE A  95
ILE A  80
None
0.93A 1t3rB-2ki7A:
undetectable
1t3rB-2ki7A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3e DIAMINOPIMELATE
DECARBOXYLASE


(Aquifex
aeolicus)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
5 ALA A 355
VAL A 371
GLY A 345
ILE A 308
ILE A 328
None
0.79A 1t3rB-2p3eA:
undetectable
1t3rB-2p3eA:
12.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pcl LIPOPROTEIN-RELEASIN
G SYSTEM ATP-BINDING
PROTEIN LOLD


(Aquifex
aeolicus)
PF00005
(ABC_tran)
6 ARG A 208
LEU A 210
VAL A 196
GLY A  51
VAL A  33
ILE A  35
None
1.29A 1t3rB-2pclA:
undetectable
1t3rB-2pclA:
17.78
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.
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
0.91A 1t3rB-2qdlA:
undetectable
1t3rB-2qdlA:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE


(Agrobacterium
fabrum)
PF06559
(DCD)
5 LEU A  87
VAL A 229
GLY A 118
VAL A 158
ILE A 156
None
0.91A 1t3rB-2r9qA:
undetectable
1t3rB-2r9qA:
14.71
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)
7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
ILE A  84
AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
0.73A 1t3rB-2rkfA:
20.5
1t3rB-2rkfA:
83.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
ILE A  84
AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
0.70A 1t3rB-2rkfA:
20.5
1t3rB-2rkfA:
83.84
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 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
0.76A 1t3rB-2rkfA:
20.5
1t3rB-2rkfA:
83.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wia FERROUS IRON
TRANSPORT PROTEIN B


(Klebsiella
pneumoniae)
PF02421
(FeoB_N)
5 LEU A   8
VAL A 116
GLY A 155
VAL A  92
ILE A  90
None
0.91A 1t3rB-2wiaA:
undetectable
1t3rB-2wiaA:
15.47
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.
2y23 MYOMESIN

(Homo sapiens)
PF07679
(I-set)
5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
None
0.81A 1t3rB-2y23A:
undetectable
1t3rB-2y23A:
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N


(Prochlorococcus
marinus)
PF00142
(Fer4_NifH)
PF00148
(Oxidored_nitro)
5 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
0.84A 1t3rB-2ynmA:
undetectable
1t3rB-2ynmA:
18.06
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.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21


(Actinoplanes
teichomyceticus)
PF02585
(PIG-L)
5 LEU A 148
ALA A  12
VAL A  38
GLY A  25
ILE A  10
None
0.96A 1t3rB-3dfiA:
undetectable
1t3rB-3dfiA:
15.98
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.
3dkp PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX52


(Homo sapiens)
PF00270
(DEAD)
5 LEU A 205
ASP A 155
ILE A 160
VAL A 374
ILE A 372
None
0.96A 1t3rB-3dkpA:
undetectable
1t3rB-3dkpA:
16.73
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.
3i1i HOMOSERINE
O-ACETYLTRANSFERASE


(Bacillus
anthracis)
PF00561
(Abhydrolase_1)
5 ALA A  54
VAL A  85
GLY A  70
ILE A 355
ILE A  44
None
0.91A 1t3rB-3i1iA:
undetectable
1t3rB-3i1iA:
13.30
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.
3j08 COPPER-EXPORTING
P-TYPE ATPASE A


(Archaeoglobus
fulgidus)
PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase)
5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
None
0.83A 1t3rB-3j08A:
undetectable
1t3rB-3j08A:
9.75
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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A


(Archaeoglobus
fulgidus)
PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase)
5 ASP A 288
VAL A 290
ILE A 250
PRO A 258
VAL A 259
None
0.82A 1t3rB-3j09A:
undetectable
1t3rB-3j09A:
8.26
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.
3lmm UNCHARACTERIZED
PROTEIN


(Corynebacterium
diphtheriae)
PF04326
(AlbA_2)
PF13749
(HATPase_c_4)
5 LEU A  84
VAL A 119
GLY A 108
VAL A 134
ILE A 132
None
0.95A 1t3rB-3lmmA:
undetectable
1t3rB-3lmmA:
13.25
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.
3mgl SULFATE PERMEASE
FAMILY PROTEIN


(Vibrio cholerae)
PF01740
(STAS)
5 LEU A 475
VAL A 532
GLY A 522
VAL A 505
ILE A 507
None
0.69A 1t3rB-3mglA:
undetectable
1t3rB-3mglA:
24.43
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
ALA A  28
ASP A  29
PRO A  81
VAL A  82
ILE A  84
None
1.49A 1t3rB-3mwsA:
20.0
1t3rB-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
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  82
ILE A  84
None
0.48A 1t3rB-3mwsA:
20.0
1t3rB-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)
7 ASP A  25
ALA A  28
VAL A  32
GLY A  48
PRO A  81
VAL A  82
ILE A  84
None
0.97A 1t3rB-3mwsA:
20.0
1t3rB-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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis)
no annotation 5 LEU A 162
ALA A 136
ASP A 122
VAL A 124
ILE A 143
None
CA  A 406 (-4.5A)
CA  A 404 ( 2.4A)
None
None
0.85A 1t3rB-3p4gA:
undetectable
1t3rB-3p4gA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3psg PEPSINOGEN

(Sus scrofa)
PF00026
(Asp)
PF07966
(A1_Propeptide)
5 LEU A 155
ASP A 303
GLY A  34
VAL A 153
ILE A 306
None
0.95A 1t3rB-3psgA:
5.5
1t3rB-3psgA:
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.
3slz GAG-PRO-POL
POLYPROTEIN


(Murine leukemia
virus)
PF00077
(RVP)
5 ASP A  32
ALA A  35
VAL A  39
GLY A  56
PRO A  89
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
3TL  A 126 (-4.0A)
0.83A 1t3rB-3slzA:
11.3
1t3rB-3slzA:
27.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN


(Murine leukemia
virus)
PF00077
(RVP)
5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  56
None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
0.54A 1t3rB-3slzA:
11.3
1t3rB-3slzA:
27.41
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)
7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
ILE A  50
SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
017  A 201 (-3.3A)
0.87A 1t3rB-3t3cA:
18.6
1t3rB-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
VAL A  32
GLY A  49
PRO A  81
SO4  A 101 (-3.8A)
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
1.04A 1t3rB-3t3cA:
18.6
1t3rB-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
0.81A 1t3rB-3t3cA:
18.6
1t3rB-3t3cA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 ARG A   8
LEU A  23
ALA A  28
ASP A  29
PRO A  81
ILE A  84
017  A 201 ( 4.8A)
None
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
1.48A 1t3rB-3ttpA:
19.4
1t3rB-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
PRO A  81
ILE A  84
017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
0.66A 1t3rB-3ttpA:
19.4
1t3rB-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
017  A 201 (-2.6A)
017  A 201 (-3.4A)
None
017  A 201 (-4.1A)
017  A 201 (-4.7A)
0.85A 1t3rB-3ttpA:
19.4
1t3rB-3ttpA:
78.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u1t DMMA HALOALKANE
DEHALOGENASE


(unidentified)
PF00561
(Abhydrolase_1)
5 ASP A 127
ASP A 121
GLY A 146
ILE A 142
PRO A 102
None
0.97A 1t3rB-3u1tA:
undetectable
1t3rB-3u1tA:
15.86
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
ALA A  28
ASP A  30
PRO A  81
None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-4.0A)
0.65A 1t3rB-3u7sA:
19.7
1t3rB-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  50
PRO A  81
None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
0.78A 1t3rB-3u7sA:
19.7
1t3rB-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
PRO A  81
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
0.52A 1t3rB-3u7sA:
19.7
1t3rB-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 LEU A  23
ASP A  25
ALA A  28
PRO A  81
VAL A  82
None
0.65A 1t3rB-3uhlA:
16.1
1t3rB-3uhlA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v70 GTPASE IMAP FAMILY
MEMBER 1


(Homo sapiens)
PF04548
(AIG1)
5 LEU A 115
VAL A  81
GLY A 102
VAL A  33
ILE A  31
None
0.83A 1t3rB-3v70A:
undetectable
1t3rB-3v70A:
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.
4ao7 ESTERASE

(unidentified)
PF12146
(Hydrolase_4)
5 ALA A 125
VAL A  31
ILE A 119
PRO A  82
ILE A  79
None
0.91A 1t3rB-4ao7A:
undetectable
1t3rB-4ao7A:
19.70
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.
4avo BETA-1,4-EXOCELLULAS
E


(Thermobifida
fusca)
PF01341
(Glyco_hydro_6)
5 LEU A 178
GLY A 313
ILE A 315
VAL A 217
ILE A 219
None
0.82A 1t3rB-4avoA:
undetectable
1t3rB-4avoA:
14.40
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.
4f82 THIOREDOXIN
REDUCTASE


(Burkholderia
cenocepacia)
PF08534
(Redoxin)
6 LEU A  13
ALA A 111
VAL A  83
GLY A 117
ILE A   2
VAL A  81
None
1.11A 1t3rB-4f82A:
undetectable
1t3rB-4f82A:
17.32
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE


(Listeria grayi)
PF00294
(PfkB)
5 ALA A  40
GLY A  33
ILE A  32
VAL A  79
ILE A  52
None
GOL  A 401 ( 4.1A)
None
None
None
0.94A 1t3rB-4gm6A:
undetectable
1t3rB-4gm6A:
13.75
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.
4h0o ACETATE KINASE

(Entamoeba
histolytica)
PF00871
(Acetate_kinase)
5 LEU A 183
GLY A 208
ILE A 195
VAL A 179
ILE A 180
None
0.88A 1t3rB-4h0oA:
undetectable
1t3rB-4h0oA:
12.13
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.
4i3u ALDEHYDE
DEHYDROGENASE (NAD+)


(Sinorhizobium
meliloti)
PF00171
(Aldedh)
5 ARG A 296
LEU A 298
VAL A 418
GLY A 432
ILE A 262
None
0.92A 1t3rB-4i3uA:
undetectable
1t3rB-4i3uA:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes)
PF02016
(Peptidase_S66)
5 LEU A 162
ALA A 309
GLY A 306
ILE A 305
ILE A 321
None
0.82A 1t3rB-4injA:
undetectable
1t3rB-4injA:
14.47
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 ASP A  25
ALA A  28
VAL A  32
GLY A  48
PRO A  81
ILE A  84
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
None
RIT  A 500 (-4.8A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
0.89A 1t3rB-4njvA:
20.5
1t3rB-4njvA:
84.85
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)
9 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
0.47A 1t3rB-4njvA:
20.5
1t3rB-4njvA:
84.85
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.
4pyr PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER


(Chromobacterium
violaceum)
PF04348
(LppC)
5 LEU A 166
VAL A  88
GLY A 107
ILE A 337
ILE A 146
None
0.94A 1t3rB-4pyrA:
undetectable
1t3rB-4pyrA:
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.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis)
PF01494
(FAD_binding_3)
5 LEU A 143
ASP A 125
VAL A 123
GLY A 150
VAL A 134
None
0.84A 1t3rB-4x4jA:
undetectable
1t3rB-4x4jA:
13.14
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)
0.84A 1t3rB-4ydfA:
13.3
1t3rB-4ydfA:
32.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1)
PF00077
(RVP)
6 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  58
ILE A 100
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
None
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
0.53A 1t3rB-4ydfA:
13.3
1t3rB-4ydfA:
32.76
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.
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
0.66A 1t3rB-4z26A:
undetectable
1t3rB-4z26A:
11.03
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.
5bwi GLYCOSIDE HYDROLASE
FAMILY 79


(Burkholderia
pseudomallei)
PF12891
(Glyco_hydro_44)
5 ALA A 330
ASP A 444
ILE A 324
VAL A 364
ILE A 362
None
0.85A 1t3rB-5bwiA:
undetectable
1t3rB-5bwiA:
12.58
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.
5elx ATP-DEPENDENT RNA
HELICASE DBP5


(Saccharomyces
cerevisiae)
PF00270
(DEAD)
PF00271
(Helicase_C)
5 LEU A 307
VAL A 403
GLY A 326
VAL A 435
ILE A 437
None
0.74A 1t3rB-5elxA:
undetectable
1t3rB-5elxA:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE


(Cupriavidus
metallidurans)
PF13231
(PMT_2)
5 ALA A 145
GLY A 291
ILE A 290
VAL A 349
ILE A 350
None
MPG  A 625 ( 3.7A)
MPG  A 625 ( 4.6A)
None
None
0.90A 1t3rB-5f15A:
undetectable
1t3rB-5f15A:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hee PUTATIVE
UNCHARACTERIZED
PROTEIN, TK2203
PROTEIN


(Thermococcus
kodakarensis)
PF02900
(LigB)
5 LEU A 136
VAL A 169
GLY A 232
VAL A  43
ILE A  45
None
0.80A 1t3rB-5heeA:
undetectable
1t3rB-5heeA:
15.48
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.
5izk SELENOCYSTEINE-SPECI
FIC ELONGATION
FACTOR


(Homo sapiens)
PF00009
(GTP_EFTU)
5 ALA A 315
VAL A 428
GLY A 346
VAL A 319
ILE A 317
None
0.97A 1t3rB-5izkA:
undetectable
1t3rB-5izkA:
11.42
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.
5jcf MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5


(Gallus gallus)
PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD)
5 LEU A 708
ALA A 725
GLY A 695
ILE A 777
ILE A 761
None
0.96A 1t3rB-5jcfA:
undetectable
1t3rB-5jcfA:
9.42
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.
5mz9 -

(-)
no annotation 6 LEU A 552
ALA A 303
GLY A 387
ILE A 385
VAL A 547
ILE A 395
None
1.13A 1t3rB-5mz9A:
undetectable
1t3rB-5mz9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5pep PEPSIN

(Sus scrofa)
PF00026
(Asp)
5 LEU A 155
ASP A 304
GLY A  34
VAL A 153
ILE A 307
None
0.92A 1t3rB-5pepA:
6.9
1t3rB-5pepA:
18.44
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)
7 LEU A  23
ASP A  25
ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
None
0.57A 1t3rB-5t2zA:
19.6
1t3rB-5t2zA:
77.78
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
ALA A  28
VAL A  32
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
0.43A 1t3rB-5t2zA:
19.6
1t3rB-5t2zA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b3e CYCLIN-DEPENDENT
KINASE 12


(Homo sapiens)
no annotation 5 ALA A 993
ASP A 995
GLY A 923
ILE A 925
ILE A 989
None
0.93A 1t3rB-6b3eA:
undetectable
1t3rB-6b3eA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bja ACETYL-COA
ACETYLTRANSFERASE A


(Ascaris suum)
no annotation 5 LEU A 262
ALA A  13
ILE A 361
VAL A 279
ILE A  10
None
0.97A 1t3rB-6bjaA:
undetectable
1t3rB-6bjaA:
18.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2)
PF00077
(RVP)
6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  84
None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
0.71A 1t3rB-6upjA:
17.6
1t3rB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2)
PF00077
(RVP)
6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  84
None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
None
0.84A 1t3rB-6upjA:
17.6
1t3rB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2)
PF00077
(RVP)
6 ARG A   8
LEU A  23
ASP A  25
GLY A  49
ILE A  50
ILE A  84
None
None
NIU  A 100 (-2.8A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
1.01A 1t3rB-6upjA:
17.6
1t3rB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2)
PF00077
(RVP)
5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
0.92A 1t3rB-6upjA:
17.6
1t3rB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2)
PF00077
(RVP)
6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
ILE A  84
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
None
0.78A 1t3rB-6upjA:
17.6
1t3rB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2)
PF00077
(RVP)
6 LEU A  23
ASP A  25
ALA A  28
GLY A  49
PRO A  81
ILE A  84
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
NIU  A 100 ( 3.8A)
None
None
0.81A 1t3rB-6upjA:
17.6
1t3rB-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2)
PF00077
(RVP)
6 LEU A  23
ASP A  25
GLY A  49
ILE A  50
PRO A  81
ILE A  84
None
NIU  A 100 (-2.8A)
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
None
0.94A 1t3rB-6upjA:
17.6
1t3rB-6upjA:
48.48