SIMILAR PATTERNS OF AMINO ACIDS FOR 4LL3_A_017A201_1

List of similar pattern of amino acids derived from ASSAM search

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

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


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b74 GLUTAMATE RACEMASE

(Aquifex
pyrophilus)
PF01177
(Asp_Glu_race)
4 VAL A  92
GLY A 113
VAL A  97
ILE A  93
None
0.74A 4ll3A-1b74A:
undetectable
4ll3A-1b74A:
18.97
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.
1b7g PROTEIN
(GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE)


(Sulfolobus
solfataricus)
PF01113
(DapB_N)
PF02800
(Gp_dh_C)
5 ALA O  43
VAL O  31
GLY O  10
VAL O  52
ILE O  50
None
None
SO4  O 610 ( 3.8A)
None
None
1.26A 4ll3A-1b7gO:
0.0
4ll3A-1b7gO:
15.25
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.
1brr PROTEIN
(BACTERIORHODOPSIN)


(Halobacterium
salinarum)
PF01036
(Bac_rhodopsin)
5 ALA A 126
VAL A  69
GLY A 195
PRO A  77
ILE A  78
None
1.33A 4ll3A-1brrA:
0.0
4ll3A-1brrA:
18.07
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.
1cdo ALCOHOL
DEHYDROGENASE


(Gadus morhua)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 ALA A  71
VAL A 170
PRO A 329
VAL A 328
ILE A  91
None
1.29A 4ll3A-1cdoA:
undetectable
4ll3A-1cdoA:
13.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cu1 PROTEIN
(PROTEASE/HELICASE
NS3)


(Hepacivirus C)
PF02907
(Peptidase_S29)
PF07652
(Flavi_DEAD)
4 ALA A 315
ASP A 285
GLY A 281
ILE A 287
None
0.74A 4ll3A-1cu1A:
1.3
4ll3A-1cu1A:
9.58
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE


(Shewanella
oneidensis)
PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2)
4 ALA A 167
GLY A 161
VAL A 554
ILE A 550
FAD  A 600 (-3.7A)
None
None
FAD  A 600 (-4.3A)
0.76A 4ll3A-1d4eA:
undetectable
4ll3A-1d4eA:
8.98
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE


(Shewanella
oneidensis)
PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2)
4 ALA A 167
GLY A 162
VAL A 554
ILE A 550
FAD  A 600 (-3.7A)
FAD  A 600 (-3.2A)
None
FAD  A 600 (-4.3A)
0.75A 4ll3A-1d4eA:
undetectable
4ll3A-1d4eA:
8.98
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.
1di0 LUMAZINE SYNTHASE

(Brucella
abortus)
PF00885
(DMRL_synthase)
5 ALA A 143
VAL A  76
GLY A 136
VAL A  48
ILE A  15
None
1.45A 4ll3A-1di0A:
0.0
4ll3A-1di0A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
5 ASP A 731
VAL A 689
GLY A 699
VAL A 736
ILE A 696
None
1.44A 4ll3A-1dmsA:
1.8
4ll3A-1dmsA:
10.61
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)


(Paracoccus
denitrificans)
PF01012
(ETF)
4 ALA B  89
VAL B 215
VAL B 101
ILE B  96
None
None
AMP  A 400 ( 4.7A)
None
0.68A 4ll3A-1efpB:
0.0
4ll3A-1efpB:
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.
1efy POLY (ADP-RIBOSE)
POLYMERASE


(Gallus gallus)
PF00644
(PARP)
PF02877
(PARP_reg)
4 VAL A 991
GLY A 922
VAL A 994
ILE A 895
None
0.74A 4ll3A-1efyA:
undetectable
4ll3A-1efyA:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eu1 DIMETHYL SULFOXIDE
REDUCTASE


(Rhodobacter
sphaeroides)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
5 ASP A 731
VAL A 689
GLY A 699
VAL A 736
ILE A 696
None
1.46A 4ll3A-1eu1A:
1.5
4ll3A-1eu1A:
9.41
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.
1g0d PROTEIN-GLUTAMINE
GAMMA-GLUTAMYLTRANSF
ERASE


(Pagrus major)
PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core)
5 VAL A 390
GLY A 382
PRO A 372
VAL A 373
ILE A 376
None
1.36A 4ll3A-1g0dA:
undetectable
4ll3A-1g0dA:
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.
1gq2 MALIC ENZYME

(Columba livia)
PF00390
(malic)
PF03949
(Malic_M)
5 ALA A 289
VAL A 470
GLY A 465
VAL A 522
ILE A 498
None
1.30A 4ll3A-1gq2A:
undetectable
4ll3A-1gq2A:
10.91
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.
1gv0 MALATE DEHYDROGENASE

(Chlorobaculum
tepidum)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
4 VAL A  73
GLY A 103
VAL A 116
ILE A 114
None
0.69A 4ll3A-1gv0A:
undetectable
4ll3A-1gv0A:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hn0 CHONDROITIN ABC
LYASE I


(Proteus
vulgaris)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt)
5 ALA A 736
GLY A 631
PRO A1012
VAL A 958
ILE A 943
None
1.24A 4ll3A-1hn0A:
undetectable
4ll3A-1hn0A:
9.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 ASP A  25
ALA A  28
ASP A  29
GLY A  48
ILE A  84
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
1.41A 4ll3A-1hvcA:
14.0
4ll3A-1hvcA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 ASP A  25
ALA A  28
ASP A  29
GLY A  48
ILE A  84
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 (-3.8A)
1.43A 4ll3A-1hvcA:
14.0
4ll3A-1hvcA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
1.01A 4ll3A-1hvcA:
14.0
4ll3A-1hvcA:
98.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 (-3.8A)
0.99A 4ll3A-1hvcA:
14.0
4ll3A-1hvcA:
98.99
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 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
VAL A  82
ILE A  84
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
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)
0.59A 4ll3A-1hvcA:
14.0
4ll3A-1hvcA:
98.99
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 ASP A  25
ALA A  28
ASP A  30
VAL A  32
GLY A  49
PRO A  81
VAL A  82
ILE A  84
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 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
0.42A 4ll3A-1hvcA:
14.0
4ll3A-1hvcA:
98.99
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
ALA A  28
GLY A  48
PRO A  81
VAL A  82
ILE A  84
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)
0.90A 4ll3A-1hvcA:
14.0
4ll3A-1hvcA:
98.99
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
ALA A  28
VAL A  32
GLY A  48
VAL A  82
ILE A  84
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)
0.98A 4ll3A-1hvcA:
14.0
4ll3A-1hvcA:
98.99
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  51
PRO A  81
VAL A  82
ILE A  84
A79  A 800 ( 4.4A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
1.07A 4ll3A-1hvcA:
14.0
4ll3A-1hvcA:
98.99
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.
1jjv DEPHOSPHO-COA KINASE

(Haemophilus
influenzae)
PF01121
(CoaE)
5 ASP A 131
VAL A 129
GLY A  12
PRO A 113
VAL A 111
None
None
ATP  A 300 (-3.5A)
None
None
1.40A 4ll3A-1jjvA:
undetectable
4ll3A-1jjvA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis)
PF07859
(Abhydrolase_3)
5 ALA A 223
ASP A 222
GLY A 195
VAL A 227
ILE A 224
None
1.42A 4ll3A-1jkmA:
undetectable
4ll3A-1jkmA:
12.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jne IMAGINAL DISC GROWTH
FACTOR-2


(Drosophila
melanogaster)
PF00704
(Glyco_hydro_18)
4 ALA A 304
VAL A 368
GLY A 307
ILE A 366
None
0.68A 4ll3A-1jneA:
undetectable
4ll3A-1jneA:
12.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kae HISTIDINOL
DEHYDROGENASE


(Escherichia
coli)
PF00815
(Histidinol_dh)
4 ALA A 228
ASP A 204
GLY A 196
ILE A 206
None
0.61A 4ll3A-1kaeA:
undetectable
4ll3A-1kaeA:
12.99
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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE


(Pseudomonas
fluorescens)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2)
5 ALA A  18
VAL A 336
GLY A 317
VAL A 146
ILE A 147
None
None
FAD  A 480 (-3.4A)
None
None
1.37A 4ll3A-1lpfA:
undetectable
4ll3A-1lpfA:
12.66
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.
1o8u 6-OXO CAMPHOR
HYDROLASE


(Rhodococcus
erythropolis)
PF00378
(ECH_1)
5 ALA A 203
GLY A 209
PRO A 110
VAL A 111
ILE A 112
None
1.50A 4ll3A-1o8uA:
undetectable
4ll3A-1o8uA:
15.18
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE


(Methylophilus
methylotrophus)
PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2)
5 ALA A 405
VAL A 392
GLY A 688
VAL A 395
ILE A 394
None
None
None
ADP  A1731 (-4.7A)
None
1.42A 4ll3A-1o94A:
undetectable
4ll3A-1o94A:
9.72
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT


(Propionibacterium
freudenreichii)
PF01039
(Carboxyl_trans)
5 ASP A 302
VAL A 301
GLY A 330
VAL A 296
ILE A 300
None
1.48A 4ll3A-1on9A:
undetectable
4ll3A-1on9A:
11.32
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.
1onl GLYCINE CLEAVAGE
SYSTEM H PROTEIN


(Thermus
thermophilus)
PF01597
(GCV_H)
4 ALA A  31
ASP A  29
GLY A  36
ILE A  27
None
0.76A 4ll3A-1onlA:
undetectable
4ll3A-1onlA:
23.91
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.
1oqw FIMBRIAL PROTEIN

(Pseudomonas
aeruginosa)
PF00114
(Pilin)
PF07963
(N_methyl)
5 ALA A  77
ASP A  78
GLY A  74
VAL A  40
ILE A  85
None
1.40A 4ll3A-1oqwA:
undetectable
4ll3A-1oqwA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE


(Enterobacter
cloacae)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ASP A 382
ALA A 437
ASP A 435
VAL A 459
VAL A 431
None
TPP  A 600 (-3.1A)
MG  A 601 ( 2.9A)
None
None
1.21A 4ll3A-1ovmA:
undetectable
4ll3A-1ovmA:
10.20
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.
1pii N-(5'PHOSPHORIBOSYL)
ANTHRANILATE
ISOMERASE


(Escherichia
coli)
PF00218
(IGPS)
PF00697
(PRAI)
4 VAL A 284
GLY A 383
PRO A 288
ILE A 282
None
0.67A 4ll3A-1piiA:
undetectable
4ll3A-1piiA:
13.53
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.
1pq5 TRYPSIN

(Fusarium
oxysporum)
PF00089
(Trypsin)
4 ALA A 133
GLY A 182
VAL A 210
ILE A 199
None
None
ARG  A 703 (-4.5A)
None
0.74A 4ll3A-1pq5A:
undetectable
4ll3A-1pq5A:
15.46
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.
1q7h CONSERVED
HYPOTHETICAL PROTEIN


(Thermoplasma
acidophilum)
PF01472
(PUA)
PF09183
(DUF1947)
5 ALA A 137
VAL A  73
GLY A 127
VAL A  95
ILE A  94
None
1.35A 4ll3A-1q7hA:
undetectable
4ll3A-1q7hA:
18.29
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)
5 ALA A  28
ASP A  30
VAL A  32
PRO A  81
ILE A  84
None
0.89A 4ll3A-1q9pA:
10.1
4ll3A-1q9pA:
93.68
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)
5 ASP A  25
ALA A  28
ASP A  30
VAL A  32
ILE A  84
None
0.59A 4ll3A-1q9pA:
10.1
4ll3A-1q9pA:
93.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8g HYPOTHETICAL PROTEIN
YBDK


(Escherichia
coli)
PF04107
(GCS2)
5 ALA A 147
ASP A 146
GLY A 153
VAL A 198
ILE A 148
None
1.23A 4ll3A-1r8gA:
undetectable
4ll3A-1r8gA:
15.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1roe FERREDOXIN

(Synechococcus
elongatus)
PF00111
(Fer2)
5 ALA A  80
ASP A  58
GLY A  73
VAL A  28
ILE A  25
None
1.37A 4ll3A-1roeA:
undetectable
4ll3A-1roeA:
25.00
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.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans)
PF03598
(CdhC)
5 ASP A  81
GLY A  57
PRO A  66
VAL A  67
ILE A  68
None
GOL  A 962 (-3.1A)
None
None
None
1.25A 4ll3A-1ru3A:
undetectable
4ll3A-1ru3A:
8.23
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.
1rwr FILAMENTOUS
HEMAGGLUTININ


(Bordetella
pertussis)
PF05860
(Haemagg_act)
4 ALA A  73
GLY A  96
VAL A  21
ILE A  23
None
0.75A 4ll3A-1rwrA:
undetectable
4ll3A-1rwrA:
16.84
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)
5 ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  84
None
0.99A 4ll3A-1sivA:
18.6
4ll3A-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  30
GLY A  49
PRO A  81
ILE A  84
None
0.44A 4ll3A-1sivA:
18.6
4ll3A-1sivA:
50.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus)
PF00077
(RVP)
5 ASP A  25
ALA A  28
GLY A  48
PRO A  81
ILE A  84
None
0.85A 4ll3A-1sivA:
18.6
4ll3A-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.
1t3h DEPHOSPHO-COA KINASE

(Escherichia
coli)
PF01121
(CoaE)
5 ASP A 131
VAL A 129
GLY A  12
PRO A 113
VAL A 111
None
None
SO4  A 301 (-3.2A)
None
None
1.38A 4ll3A-1t3hA:
undetectable
4ll3A-1t3hA:
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.
1t3h DEPHOSPHO-COA KINASE

(Escherichia
coli)
PF01121
(CoaE)
5 ASP A 185
ASP A 131
VAL A 130
GLY A 177
ILE A 173
None
1.22A 4ll3A-1t3hA:
undetectable
4ll3A-1t3hA:
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.
1t3i PROBABLE CYSTEINE
DESULFURASE


(Synechocystis
sp.)
PF00266
(Aminotran_5)
5 ALA A 340
VAL A 185
GLY A 331
VAL A 176
ILE A 178
None
None
None
PLP  A 600 (-4.9A)
None
1.43A 4ll3A-1t3iA:
undetectable
4ll3A-1t3iA:
13.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tg6 PUTATIVE
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT


(Homo sapiens)
PF00574
(CLP_protease)
4 ALA A 154
VAL A 163
GLY A 183
ILE A 164
None
0.76A 4ll3A-1tg6A:
undetectable
4ll3A-1tg6A:
19.26
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.
1thm THERMITASE

(Thermoactinomyces
vulgaris)
PF00082
(Peptidase_S8)
4 ALA A  96
GLY A  91
PRO A 229
ILE A  34
None
0.69A 4ll3A-1thmA:
undetectable
4ll3A-1thmA:
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2


(Streptomyces
coelicolor)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 ASP B 297
ALA B 388
VAL B 386
GLY B 336
VAL B 325
None
1.13A 4ll3A-1tqyB:
undetectable
4ll3A-1tqyB:
11.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2


(Streptomyces
coelicolor)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 ASP B 297
ALA B 388
VAL B 386
PRO B 326
VAL B 325
None
1.42A 4ll3A-1tqyB:
undetectable
4ll3A-1tqyB:
11.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN


(Salmonella
enterica)
PF04107
(GCS2)
5 ALA A 147
ASP A 146
GLY A 153
VAL A 198
ILE A 148
None
1.21A 4ll3A-1tt4A:
undetectable
4ll3A-1tt4A:
14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tww DHPS,
DIHYDROPTEROATE
SYNTHASE


(Bacillus
anthracis)
PF00809
(Pterin_bind)
5 ALA A 265
VAL A 253
GLY A 239
VAL A 258
ILE A  22
None
1.49A 4ll3A-1twwA:
undetectable
4ll3A-1twwA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2v ARP2/3 COMPLEX 20KDA
SUBUNIT


(Bos taurus)
PF05856
(ARPC4)
4 ALA F  19
VAL F  51
VAL F  61
ILE F  63
None
0.71A 4ll3A-1u2vF:
undetectable
4ll3A-1u2vF:
19.77
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.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN


(Homo sapiens)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 ALA A  70
VAL A 169
PRO A 329
VAL A 328
ILE A  90
None
1.21A 4ll3A-1u3tA:
undetectable
4ll3A-1u3tA:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1urh 3-MERCAPTOPYRUVATE
SULFURTRANSFERASE


(Escherichia
coli)
PF00581
(Rhodanese)
5 ALA A 168
VAL A 159
GLY A 197
VAL A 235
ILE A 234
None
1.30A 4ll3A-1urhA:
undetectable
4ll3A-1urhA:
20.00
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT


(Thermotoga
maritima)
PF13393
(tRNA-synt_His)
4 ALA C 251
VAL C 114
VAL C 109
ILE C 113
None
0.65A 4ll3A-1usyC:
undetectable
4ll3A-1usyC:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uwy CARBOXYPEPTIDASE M

(Homo sapiens)
PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg)
4 VAL A 317
GLY A 297
VAL A 315
ILE A 345
None
0.64A 4ll3A-1uwyA:
undetectable
4ll3A-1uwyA:
14.15
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.
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
1.00A 4ll3A-1v5fA:
undetectable
4ll3A-1v5fA:
11.15
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.
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
0.86A 4ll3A-1wdtA:
undetectable
4ll3A-1wdtA:
9.18
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.
1wdt ELONGATION FACTOR G
HOMOLOG


(Thermus
thermophilus)
PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II)
5 ASP A 216
VAL A 213
GLY A 231
VAL A 208
ILE A 212
None
1.06A 4ll3A-1wdtA:
undetectable
4ll3A-1wdtA:
9.18
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.
1wsv AMINOMETHYLTRANSFERA
SE


(Homo sapiens)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
4 VAL A 192
GLY A 166
VAL A 207
ILE A 205
VAL  A 192 ( 0.6A)
GLY  A 166 ( 0.0A)
VAL  A 207 ( 0.6A)
ILE  A 205 ( 0.4A)
0.65A 4ll3A-1wsvA:
undetectable
4ll3A-1wsvA:
13.53
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.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN


(Pyrococcus
horikoshii)
PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C)
4 ALA A 374
VAL A 328
VAL A 391
ILE A 393
None
0.73A 4ll3A-1wu2A:
undetectable
4ll3A-1wu2A:
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.
1wxj TRYPTOPHAN SYNTHASE
ALPHA CHAIN


(Thermus
thermophilus)
PF00290
(Trp_syntA)
5 ALA A 206
ASP A 224
GLY A 169
PRO A  93
ILE A  19
None
1.32A 4ll3A-1wxjA:
undetectable
4ll3A-1wxjA:
17.84
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.
2aw5 NADP-DEPENDENT MALIC
ENZYME


(Homo sapiens)
PF00390
(malic)
PF03949
(Malic_M)
5 ALA A 279
VAL A 457
GLY A 452
VAL A 509
ILE A 485
None
1.25A 4ll3A-2aw5A:
undetectable
4ll3A-2aw5A:
11.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2axo HYPOTHETICAL PROTEIN
ATU2684


(Agrobacterium
fabrum)
PF06764
(DUF1223)
5 ALA A 172
VAL A 251
GLY A 214
PRO A 151
VAL A 152
None
1.24A 4ll3A-2axoA:
undetectable
4ll3A-2axoA:
19.05
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.
2b8e CATION-TRANSPORTING
ATPASE


(Archaeoglobus
fulgidus)
PF00702
(Hydrolase)
5 ALA A 531
ASP A 438
VAL A 440
VAL A 517
ILE A 543
None
1.35A 4ll3A-2b8eA:
undetectable
4ll3A-2b8eA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cul GLUCOSE-INHIBITED
DIVISION PROTEIN
A-RELATED PROTEIN,
PROBABLE
OXIDOREDUCTASE


(Thermus
thermophilus)
PF01134
(GIDA)
5 ALA A  19
VAL A   6
GLY A 220
VAL A   9
ILE A   8
None
1.42A 4ll3A-2culA:
undetectable
4ll3A-2culA:
16.38
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.
2d0o DIOL
DEHYDRATASE-REACTIVA
TING FACTOR LARGE
SUBUNIT


(Klebsiella
oxytoca)
PF08841
(DDR)
5 ASP A 276
VAL A 275
GLY A 299
VAL A 288
ILE A 284
None
1.26A 4ll3A-2d0oA:
undetectable
4ll3A-2d0oA:
10.50
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.
2db3 ATP-DEPENDENT RNA
HELICASE VASA


(Drosophila
melanogaster)
PF00270
(DEAD)
PF00271
(Helicase_C)
5 ALA A 461
VAL A 465
GLY A 292
VAL A 561
ILE A 577
None
None
ANP  A2901 (-3.7A)
None
None
1.37A 4ll3A-2db3A:
undetectable
4ll3A-2db3A:
14.78
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.
2dpp NITRILE HYDRATASE
BETA SUBUNIT


(Bacillus sp.
RAPc8)
PF02211
(NHase_beta)
4 ALA B 165
VAL B 215
GLY B   8
ILE B 217
None
0.64A 4ll3A-2dppB:
undetectable
4ll3A-2dppB:
16.74
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.
2dr3 UPF0273 PROTEIN
PH0284


(Pyrococcus
horikoshii)
PF06745
(ATPase)
4 ALA A 129
GLY A  84
VAL A  89
ILE A  55
None
0.75A 4ll3A-2dr3A:
undetectable
4ll3A-2dr3A:
18.62
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.
2ehq 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE


(Thermus
thermophilus)
PF00171
(Aldedh)
5 ALA A 206
VAL A 233
GLY A 216
VAL A 195
ILE A 194
None
1.34A 4ll3A-2ehqA:
undetectable
4ll3A-2ehqA:
12.53
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A


(Staphylococcus
aureus)
PF01425
(Amidase)
5 ALA A  51
GLY A  73
PRO A 168
VAL A 167
ILE A 119
None
1.14A 4ll3A-2f2aA:
undetectable
4ll3A-2f2aA:
12.55
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.
2f91 HEPATOPANCREAS
TRYPSIN


(Astacus
leptodactylus)
PF00089
(Trypsin)
5 ASP A 189
ALA A 220
GLY A 223
PRO A 161
VAL A 160
None
None
None
CL  A 408 (-4.5A)
CL  A 408 ( 4.7A)
1.36A 4ll3A-2f91A:
undetectable
4ll3A-2f91A:
18.41
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.
2faf PHOSPHOENOLPYRUVATE
CARBOXYKINASE


(Gallus gallus)
PF00821
(PEPCK_C)
PF17297
(PEPCK_N)
5 ALA A 449
ASP A 448
GLY A 288
VAL A 555
ILE A 559
None
1.25A 4ll3A-2fafA:
undetectable
4ll3A-2fafA:
12.47
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.
2fdr CONSERVED
HYPOTHETICAL PROTEIN


(Agrobacterium
fabrum)
PF13419
(HAD_2)
4 ASP A  10
GLY A 175
VAL A 163
ILE A   8
MG  A1001 (-3.0A)
None
None
None
0.76A 4ll3A-2fdrA:
undetectable
4ll3A-2fdrA:
17.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE


(Equine
infectious
anemia virus)
PF00077
(RVP)
5 ASP A  25
ALA A  28
ASP A  29
GLY A  55
ILE A  89
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-4.2A)
1.17A 4ll3A-2fmbA:
15.1
4ll3A-2fmbA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE


(Equine
infectious
anemia virus)
PF00077
(RVP)
5 ASP A  25
ALA A  28
VAL A  32
GLY A  54
ILE A  89
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
None
LP1  A 201 (-3.6A)
LP1  A 201 (-4.2A)
0.81A 4ll3A-2fmbA:
15.1
4ll3A-2fmbA:
31.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE


(Equine
infectious
anemia virus)
PF00077
(RVP)
7 ASP A  25
ALA A  28
VAL A  32
GLY A  55
PRO A  86
VAL A  87
ILE A  89
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)
0.47A 4ll3A-2fmbA:
15.1
4ll3A-2fmbA:
31.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ft0 TDP-FUCOSAMINE
ACETYLTRANSFERASE


(Escherichia
coli)
no annotation 4 ALA A 100
GLY A 151
VAL A 131
ILE A 127
None
0.71A 4ll3A-2ft0A:
undetectable
4ll3A-2ft0A:
19.11
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.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN


(Homo sapiens)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 ALA A  69
VAL A 168
PRO A 328
VAL A 327
ILE A  89
None
1.29A 4ll3A-2fzwA:
undetectable
4ll3A-2fzwA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gep SULFITE REDUCTASE
HEMOPROTEIN


(Escherichia
coli)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
5 ASP A 227
ALA A 394
GLY A  89
VAL A 221
ILE A 228
None
1.35A 4ll3A-2gepA:
undetectable
4ll3A-2gepA:
11.92
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.
2gko SUBTILISIN
MICROBIAL SERINE
PROTEINASES


(Bacillus
subtilis)
PF00082
(Peptidase_S8)
4 ALA A  96
GLY A  91
PRO A 253
ILE A  30
None
0.75A 4ll3A-2gkoA:
undetectable
4ll3A-2gkoA:
14.89
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.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE


(Sus scrofa)
PF05187
(ETF_QO)
PF13450
(NAD_binding_8)
5 ALA A  51
VAL A  38
GLY A 374
VAL A  41
ILE A  40
None
None
None
FAD  A 611 (-4.9A)
None
1.35A 4ll3A-2gmhA:
undetectable
4ll3A-2gmhA:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hne L-FUCONATE
DEHYDRATASE


(Xanthomonas
campestris)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 ALA A 127
VAL A  79
GLY A  49
ILE A  83
None
0.75A 4ll3A-2hneA:
undetectable
4ll3A-2hneA:
12.39
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.
2hqb TRANSCRIPTIONAL
ACTIVATOR OF COMK
GENE


(Bacillus
halodurans)
PF02608
(Bmp)
4 ALA A 201
VAL A 190
GLY A 124
ILE A 194
None
0.74A 4ll3A-2hqbA:
undetectable
4ll3A-2hqbA:
17.24
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.
2ii1 ACETAMIDASE

(Bacillus
halodurans)
PF03069
(FmdA_AmdA)
4 VAL A 202
GLY A 132
VAL A  83
ILE A  81
None
CA  A 400 ( 4.9A)
None
None
0.70A 4ll3A-2ii1A:
undetectable
4ll3A-2ii1A:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ioy PERIPLASMIC
SUGAR-BINDING
PROTEIN


(Caldanaerobacter
subterraneus)
PF13407
(Peripla_BP_4)
4 ALA A  27
GLY A 245
VAL A  36
ILE A  34
None
0.63A 4ll3A-2ioyA:
undetectable
4ll3A-2ioyA:
15.66
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.
2jhq URACIL
DNA-GLYCOSYLASE


(Vibrio cholerae)
PF03167
(UDG)
5 ASP A   9
VAL A  10
GLY A  54
VAL A 148
ILE A  11
None
1.31A 4ll3A-2jhqA:
undetectable
4ll3A-2jhqA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jzl CYANOVIRIN-N HOMOLOG

(Neurospora
crassa)
PF08881
(CVNH)
4 ALA A  80
GLY A  44
VAL A  14
ILE A  64
None
0.73A 4ll3A-2jzlA:
undetectable
4ll3A-2jzlA:
16.52
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.
2m8e SLEEPING BEAUTY
TRANSPOSASE


(synthetic
construct)
PF13384
(HTH_23)
5 ASP A  19
VAL A  18
GLY A  24
VAL A  41
ILE A  17
None
1.30A 4ll3A-2m8eA:
undetectable
4ll3A-2m8eA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2n57 ACYL CARRIER PROTEIN

(Brucella
melitensis)
PF00550
(PP-binding)
4 ALA A  59
ASP A  57
VAL A  53
ILE A  55
None
0.68A 4ll3A-2n57A:
undetectable
4ll3A-2n57A:
23.23
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.
2nli LACTATE OXIDASE

(Aerococcus
viridans)
PF01070
(FMN_dh)
5 ALA A 252
ASP A 250
VAL A 287
PRO A 292
ILE A 260
None
1.21A 4ll3A-2nliA:
undetectable
4ll3A-2nliA:
15.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nt4 RESPONSE REGULATOR
HOMOLOG


(Myxococcus
xanthus)
PF00072
(Response_reg)
5 ALA A  99
ASP A 100
GLY A  67
VAL A  54
ILE A  82
None
None
None
CL  A 125 (-4.3A)
None
1.34A 4ll3A-2nt4A:
undetectable
4ll3A-2nt4A:
20.77
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.
2o1s 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE


(Escherichia
coli)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N)
5 ASP A  77
ALA A 154
ASP A 152
VAL A 176
ILE A 150
None
TDP  A3001 (-3.6A)
MG  A1001 ( 2.7A)
None
None
1.43A 4ll3A-2o1sA:
undetectable
4ll3A-2o1sA:
9.18