SIMILAR PATTERNS OF AMINO ACIDS FOR 3N58_C_ADNC500_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.
1b3j MHC CLASS I HOMOLOG
MIC-A


(Homo sapiens)
PF00129
(MHC_I)
PF07654
(C1-set)
4 LEU A 214
GLN A 242
THR A 243
HIS A 270
None
1.47A 3n58C-1b3jA:
undetectable
3n58C-1b3jA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ezv UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
14 KD PROTEIN


(Saccharomyces
cerevisiae)
PF02271
(UCR_14kD)
4 LEU F  88
GLN F  80
THR F  81
GLU F  92
None
1.29A 3n58C-1ezvF:
undetectable
3n58C-1ezvF:
13.70
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.
1ff3 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE


(Escherichia
coli)
PF01625
(PMSR)
4 LEU A 207
GLN A 109
GLU A 116
HIS A 118
None
1.43A 3n58C-1ff3A:
undetectable
3n58C-1ff3A:
19.73
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.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae)
PF00566
(RabGAP-TBC)
4 GLN A 493
THR A 607
GLU A 491
HIS A 575
None
1.45A 3n58C-1fkmA:
undetectable
3n58C-1fkmA:
17.83
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.
1hkw DIAMINOPIMELATE
DECARBOXYLASE


(Mycobacterium
tuberculosis)
PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N)
4 LEU A 396
GLN A  36
THR A  32
GLU A 315
None
1.31A 3n58C-1hkwA:
2.0
3n58C-1hkwA:
23.35
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.
1ldi GLYCEROL UPTAKE
FACILITATOR PROTEIN


(Escherichia
coli)
PF00230
(MIP)
4 LEU A 131
THR A 134
GLU A 116
HIS A 119
None
1.50A 3n58C-1ldiA:
undetectable
3n58C-1ldiA:
20.04
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.
1lkf LEUKOCIDIN F SUBUNIT

(Staphylococcus
aureus)
PF07968
(Leukocidin)
4 LEU A 290
GLN A  89
THR A 277
GLU A 279
None
1.37A 3n58C-1lkfA:
undetectable
3n58C-1lkfA:
18.99
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.
1o5z FOLYLPOLYGLUTAMATE
SYNTHASE/DIHYDROFOLA
TE SYNTHASE


(Thermotoga
maritima)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M)
4 LEU A 299
THR A 420
GLU A 297
HIS A 236
None
1.15A 3n58C-1o5zA:
2.2
3n58C-1o5zA:
21.40
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.
1pbw PHOSPHATIDYLINOSITOL
3-KINASE


(Homo sapiens)
PF00620
(RhoGAP)
4 LEU A 144
GLN A 252
THR A 253
GLU A 140
None
1.44A 3n58C-1pbwA:
undetectable
3n58C-1pbwA:
18.66
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.
1q2l PROTEASE III

(Escherichia
coli)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF16187
(Peptidase_M16_M)
4 LEU A 206
GLN A  84
THR A 205
HIS A  92
None
None
None
ZN  A 963 (-3.2A)
1.36A 3n58C-1q2lA:
undetectable
3n58C-1q2lA:
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.
1rzr GLUCOSE-RESISTANCE
AMYLASE REGULATOR


(Bacillus
megaterium)
no annotation 4 LEU G 279
THR G 277
GLU G 249
HIS G 256
None
1.31A 3n58C-1rzrG:
undetectable
3n58C-1rzrG:
24.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ttw SECRETION CHAPERONE

(Yersinia pestis)
PF05932
(CesT)
4 LEU A   7
GLN A 104
THR A 100
GLU A  10
None
1.30A 3n58C-1ttwA:
undetectable
3n58C-1ttwA:
15.97
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.
1tuh HYPOTHETICAL PROTEIN
EGC068


(uncultured
bacterium)
PF12680
(SnoaL_2)
4 LEU A  46
GLN A  23
THR A  27
GLU A  45
None
1.49A 3n58C-1tuhA:
undetectable
3n58C-1tuhA:
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.
1w5f CELL DIVISION
PROTEIN FTSZ


(Thermotoga
maritima)
PF00091
(Tubulin)
PF12327
(FtsZ_C)
4 LEU A 179
GLN A 202
THR A 199
GLU A 182
None
1.39A 3n58C-1w5fA:
2.2
3n58C-1w5fA:
23.03
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.
1y7q ZINC FINGER PROTEIN
174


(Homo sapiens)
PF02023
(SCAN)
4 LEU A 120
GLN A 103
GLU A 101
HIS A 125
None
1.41A 3n58C-1y7qA:
undetectable
3n58C-1y7qA:
12.38
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.
2c6r DNA-BINDING STRESS
RESPONSE PROTEIN,
DPS FAMILY


(Deinococcus
radiodurans)
PF00210
(Ferritin)
4 LEU A 123
GLN A 149
THR A 146
GLU A  58
None
1.28A 3n58C-2c6rA:
undetectable
3n58C-2c6rA:
18.84
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.
2dvu THERMOPHILIC
REVERSIBLE
GAMMA-RESORCYLATE
DECARBOXYLASE


(Rhizobium sp.
MTP-10005)
PF04909
(Amidohydro_2)
4 LEU A 140
GLN A 137
THR A 138
GLU A 133
None
1.20A 3n58C-2dvuA:
undetectable
3n58C-2dvuA:
20.97
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.
2f2l PEPTIDOGLYCAN
RECOGNITION
PROTEIN-LC ISOFORM
LCX
PEPTIDOGLYCAN-RECOGN
ITION PROTEIN-LC
ISOFORM LCA


(Drosophila
melanogaster)
PF01510
(Amidase_2)
4 GLN A 404
THR A 405
GLU X 480
HIS X 473
None
MLD  X 201 (-4.1A)
None
MLD  X 201 (-3.9A)
1.42A 3n58C-2f2lA:
undetectable
3n58C-2f2lA:
16.99
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.
2fep CATABOLITE CONTROL
PROTEIN A


(Bacillus
subtilis)
PF13377
(Peripla_BP_3)
4 LEU A 280
THR A 278
GLU A 250
HIS A 257
SO4  A4396 ( 4.7A)
SO4  A4396 (-2.9A)
None
None
1.25A 3n58C-2fepA:
undetectable
3n58C-2fepA:
19.83
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.
2hms YUAA PROTEIN

(Bacillus
subtilis)
PF02254
(TrkA_N)
4 LEU A 113
GLN A  83
THR A  86
HIS A 123
None
1.46A 3n58C-2hmsA:
6.8
3n58C-2hmsA:
16.56
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.
2j5g ALR4455 PROTEIN

(Nostoc sp. PCC
7120)
PF00378
(ECH_1)
4 LEU D 100
THR D 127
GLU D 123
HIS D  43
None
1.49A 3n58C-2j5gD:
undetectable
3n58C-2j5gD:
19.49
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.
2kd1 DNA
INTEGRATION/RECOMBIN
ATION/INVERTION
PROTEIN


(Bacillus cereus)
PF14659
(Phage_int_SAM_3)
4 GLN A  26
THR A  27
GLU A 112
HIS A 115
None
1.41A 3n58C-2kd1A:
undetectable
3n58C-2kd1A:
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.
2m5w LUPUS LA PROTEIN

(Dictyostelium
discoideum)
PF05383
(La)
4 LEU A  60
GLN A   8
THR A   5
GLU A  63
None
1.48A 3n58C-2m5wA:
undetectable
3n58C-2m5wA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzu CATABOLITE CONTROL
PROTEIN


(Bacillus
megaterium)
PF13377
(Peripla_BP_3)
4 LEU G 279
THR G 277
GLU G 249
HIS G 256
None
BG6  G1092 (-3.6A)
BG6  G1092 (-4.7A)
None
1.19A 3n58C-2nzuG:
4.9
3n58C-2nzuG:
20.86
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.
2p26 INTEGRIN BETA-2

(Homo sapiens)
PF17205
(PSI_integrin)
4 LEU A 471
GLN A 464
THR A 463
GLU A 470
None
1.35A 3n58C-2p26A:
undetectable
3n58C-2p26A:
18.75
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.
2q50 GLYOXYLATE
REDUCTASE/HYDROXYPYR
UVATE REDUCTASE


(Homo sapiens)
PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C)
4 LEU A 181
GLN A 178
THR A 155
GLU A 198
None
1.46A 3n58C-2q50A:
10.0
3n58C-2q50A:
22.80
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.
2qwv UPF0217 PROTEIN
VC_A1059


(Vibrio cholerae)
PF04013
(Methyltrn_RNA_2)
4 LEU A 123
THR A  68
GLU A 126
HIS A 131
None
1.36A 3n58C-2qwvA:
undetectable
3n58C-2qwvA:
18.57
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N


(Thermosynechococcus
elongatus)
PF00148
(Oxidored_nitro)
4 LEU A 362
GLN A 285
THR A 281
GLU A 359
None
1.37A 3n58C-2xdqA:
undetectable
3n58C-2xdqA:
24.07
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.
2ypf AVRBS3

(Xanthomonas
campestris)
PF03377
(TAL_effector)
4 LEU A 647
GLN A 617
THR A 615
HIS A 627
None
1.29A 3n58C-2ypfA:
undetectable
3n58C-2ypfA:
21.94
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.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae)
PF00144
(Beta-lactamase)
4 LEU A 107
GLN A 267
THR A 111
GLU A 300
None
1.34A 3n58C-2zc7A:
undetectable
3n58C-2zc7A:
23.19
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.
3a24 ALPHA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C)
4 LEU A 212
GLN A 422
THR A 425
GLU A 209
None
1.49A 3n58C-3a24A:
2.8
3n58C-3a24A:
20.70
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.
3a5r BENZALACETONE
SYNTHASE


(Rheum palmatum)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
4 LEU A 208
GLN A  91
THR A 187
HIS A 296
HC4  A 400 ( 4.7A)
None
None
None
1.18A 3n58C-3a5rA:
undetectable
3n58C-3a5rA:
23.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE


(Mycobacterium
tuberculosis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 LEU A  68
GLN A  73
THR A  74
GLU A 218
HIS A 363
None
ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
ADN  A 500 ( 3.7A)
0.77A 3n58C-3ce6A:
59.0
3n58C-3ce6A:
60.56
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.
3d3a BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
PF01301
(Glyco_hydro_35)
4 LEU A 604
GLN A 572
THR A 573
GLU A 602
None
1.47A 3n58C-3d3aA:
3.8
3n58C-3d3aA:
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.
3dip ENOLASE

(unidentified)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 LEU A  69
GLN A  49
THR A  50
GLU A  68
None
1.13A 3n58C-3dipA:
2.4
3n58C-3dipA:
24.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE


(Leishmania
major)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 LEU A  51
GLN A  56
THR A  57
GLU A 155
HIS A 300
None
ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
ADN  A 438 (-3.8A)
ADN  A 438 ( 4.0A)
0.20A 3n58C-3g1uA:
55.9
3n58C-3g1uA:
58.65
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.
3gem SHORT CHAIN
DEHYDROGENASE


(Pseudomonas
savastanoi)
PF13561
(adh_short_C2)
4 LEU A  78
GLN A  74
THR A  75
HIS A  83
None
1.30A 3n58C-3gemA:
7.9
3n58C-3gemA:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3glq ADENOSYLHOMOCYSTEINA
SE


(Burkholderia
pseudomallei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 LEU A  61
GLN A  66
THR A  67
GLU A 199
HIS A 344
None
RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 (-4.6A)
RAB  A 602 ( 3.5A)
0.49A 3n58C-3glqA:
62.5
3n58C-3glqA:
67.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE


(Trypanosoma
brucei)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 LEU A  51
GLN A  56
THR A  57
GLU A 155
HIS A 300
None
ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
None
None
0.16A 3n58C-3h9uA:
58.6
3n58C-3h9uA:
61.02
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.
3k0s DNA MISMATCH REPAIR
PROTEIN MUTS


(Escherichia
coli)
PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III)
4 LEU A 555
GLN A 326
THR A 327
GLU A 551
None
1.48A 3n58C-3k0sA:
undetectable
3n58C-3k0sA:
20.99
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.
3lfu DNA HELICASE II

(Escherichia
coli)
PF00580
(UvrD-helicase)
PF13361
(UvrD_C)
4 LEU A 512
GLN A 480
THR A 481
HIS A 537
None
1.39A 3n58C-3lfuA:
undetectable
3n58C-3lfuA:
22.46
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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE


(Vibrio
vulnificus)
PF02784
(Orn_Arg_deC_N)
4 LEU A  67
GLN A 476
THR A 565
HIS A 352
None
1.46A 3n58C-3n2oA:
undetectable
3n58C-3n2oA:
21.80
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.
3nlc UNCHARACTERIZED
PROTEIN VP0956


(Vibrio
parahaemolyticus)
no annotation 4 LEU A 248
THR A 231
GLU A 252
HIS A 237
None
1.35A 3n58C-3nlcA:
undetectable
3n58C-3nlcA:
22.73
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE


(Escherichia
coli)
PF02784
(Orn_Arg_deC_N)
4 LEU A  89
GLN A 493
THR A 582
HIS A 369
None
1.31A 3n58C-3nzqA:
2.7
3n58C-3nzqA:
22.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE


(Lupinus luteus)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 LEU A  61
GLN A  66
THR A  67
GLU A 205
HIS A 350
None
ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
None
0.71A 3n58C-3oneA:
58.0
3n58C-3oneA:
60.12
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.
3pko GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE


(Lactobacillus
brevis)
PF00348
(polyprenyl_synt)
4 LEU A 321
GLN A 291
THR A 294
HIS A  -2
None
1.44A 3n58C-3pkoA:
undetectable
3n58C-3pkoA:
22.01
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.
3qa8 MGC80376 PROTEIN

(Xenopus laevis)
PF00069
(Pkinase)
4 LEU A 178
GLN A  63
GLU A  61
HIS A 143
None
1.47A 3n58C-3qa8A:
undetectable
3n58C-3qa8A:
20.34
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.
3rab PROTEIN (RAB3A)

(Rattus
norvegicus)
PF00071
(Ras)
4 LEU A 131
GLN A 174
THR A 175
GLU A 160
LEU  A 131 ( 0.6A)
GLN  A 174 ( 0.6A)
THR  A 175 ( 0.8A)
GLU  A 160 ( 0.5A)
1.12A 3n58C-3rabA:
2.9
3n58C-3rabA:
14.85
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.
3tkl LIDA PROTEIN,
SUBSTRATE OF THE
DOT/ICM SYSTEM


(Legionella
pneumophila)
no annotation 4 LEU B 412
GLN B 405
THR B 408
GLU B 423
None
1.41A 3n58C-3tklB:
undetectable
3n58C-3tklB:
22.17
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.
3ugm TAL EFFECTOR
AVRBS3/PTHA


(Xanthomonas
oryzae)
PF03377
(TAL_effector)
4 LEU A 612
GLN A 583
THR A 580
HIS A 592
None
1.20A 3n58C-3ugmA:
undetectable
3n58C-3ugmA:
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.
3ugm TAL EFFECTOR
AVRBS3/PTHA


(Xanthomonas
oryzae)
PF03377
(TAL_effector)
4 LEU A 884
GLN A 854
THR A 852
HIS A 864
None
1.08A 3n58C-3ugmA:
undetectable
3n58C-3ugmA:
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.
3usc HYDROGENASE-1 LARGE
CHAIN


(Escherichia
coli)
PF00374
(NiFeSe_Hases)
4 GLN L   4
THR L   3
GLU L 391
HIS L 351
None
None
LI  L 604 ( 4.3A)
None
1.15A 3n58C-3uscL:
undetectable
3n58C-3uscL:
21.77
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.
3zuo COMPLEMENT INHIBITOR

(Ornithodoros
moubata)
no annotation 4 LEU A  45
GLN A 160
GLU A 131
HIS A 119
None
None
None
LTB  A1170 (-4.0A)
1.36A 3n58C-3zuoA:
undetectable
3n58C-3zuoA:
15.23
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.
4acq ALPHA-2-MACROGLOBULI
N


(Homo sapiens)
PF00207
(A2M)
PF01835
(A2M_N)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
4 LEU A 931
GLN A1325
THR A1326
GLU A 929
None
1.44A 3n58C-4acqA:
undetectable
3n58C-4acqA:
15.68
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata)
PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s)
4 LEU B3236
THR B3212
GLU B3072
HIS B3106
None
None
None
CUO  B9008 (-3.3A)
1.49A 3n58C-4bedB:
undetectable
3n58C-4bedB:
14.19
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.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC


(Escherichia
coli)
PF01520
(Amidase_3)
PF11741
(AMIN)
4 LEU A 295
THR A 298
GLU A 373
HIS A 350
None
1.16A 3n58C-4binA:
undetectable
3n58C-4binA:
21.36
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.
4d3c SFN68 FAB

(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU H 111
GLN H  39
THR H  93
GLU H 151
None
1.48A 3n58C-4d3cH:
undetectable
3n58C-4d3cH:
21.08
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.
4dhg MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Thermobispora
bispora)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
4 LEU A 325
GLN A 349
THR A 346
HIS A 290
None
1.45A 3n58C-4dhgA:
undetectable
3n58C-4dhgA:
24.76
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.
4h63 MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 17


(Schizosaccharomyces
pombe)
PF10156
(Med17)
4 LEU Q 347
GLN Q 263
THR Q 349
HIS Q 394
None
1.19A 3n58C-4h63Q:
undetectable
3n58C-4h63Q:
21.48
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.
4hbc ANTIGEN BINDING
FRAGMENT,
IMMUNOGLOBULIN IGG -
HEAVY CHAIN


(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU H 110
GLN H  38
THR H  89
GLU H 150
None
1.32A 3n58C-4hbcH:
undetectable
3n58C-4hbcH:
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.
4hji CS1 FIMBRIAL SUBUNIT
A


(Escherichia
coli)
PF04449
(Fimbrial_CS1)
4 LEU A 117
GLN A  19
THR A  47
HIS A 120
None
1.39A 3n58C-4hjiA:
undetectable
3n58C-4hjiA:
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.
4jo3 MONOCLONAL
ANTI-HIV-1 GP120 V3
ANTIBODY R20 HEAVY
CHAIN


(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU H 108
GLN H  39
THR H  89
GLU H 148
None
1.31A 3n58C-4jo3H:
undetectable
3n58C-4jo3H:
21.05
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.
4jxy TRANS-HEXAPRENYLTRAN
STRANSFERASE


(Pseudoalteromonas
atlantica)
PF00348
(polyprenyl_synt)
4 LEU A 238
GLN A 286
THR A 284
GLU A 160
None
1.16A 3n58C-4jxyA:
undetectable
3n58C-4jxyA:
22.50
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.
4lct COP9 SIGNALOSOME
COMPLEX SUBUNIT 1


(Arabidopsis
thaliana)
PF01399
(PCI)
PF10602
(RPN7)
4 LEU A 228
GLN A 191
THR A 193
HIS A 330
None
1.39A 3n58C-4lctA:
undetectable
3n58C-4lctA:
21.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)


(Bradyrhizobium
elkanii)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 LEU A  57
GLN A  62
THR A  63
GLU A 197
HIS A 342
None
NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
ADN  A 501 ( 3.7A)
0.13A 3n58C-4lvcA:
62.7
3n58C-4lvcA:
69.73
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.
4nt5 VON WILLEBRAND
FACTOR


(Homo sapiens)
PF03045
(DAN)
4 LEU A2799
THR A2779
GLU A2797
HIS A2796
None
1.40A 3n58C-4nt5A:
undetectable
3n58C-4nt5A:
12.12
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.
4o4y 2095-2 HEAVY CHAIN

(Homo sapiens;
Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU H 109
GLN H  38
THR H  90
GLU H 149
None
1.29A 3n58C-4o4yH:
undetectable
3n58C-4o4yH:
20.17
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.
4ptz FMN REDUCTASE SSUE

(Escherichia
coli)
no annotation 4 LEU C 133
GLN C 169
THR C 166
GLU C 131
None
1.48A 3n58C-4ptzC:
5.1
3n58C-4ptzC:
17.86
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.
4y90 TRIOSEPHOSPHATE
ISOMERASE


(Deinococcus
radiodurans)
PF00121
(TIM)
4 LEU A 183
GLN A 143
THR A 144
GLU A 182
None
None
None
GOL  A 303 (-2.4A)
1.37A 3n58C-4y90A:
undetectable
3n58C-4y90A:
22.72
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.
4zjg ALPHA-2-MACROGLOBULI
N


(Escherichia
coli)
PF11974
(MG1)
4 LEU A 344
GLN A 333
THR A 332
HIS A 341
None
None
None
PGE  A 402 (-4.2A)
0.98A 3n58C-4zjgA:
undetectable
3n58C-4zjgA:
24.44
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.
4zoq INTRACELLULAR SERINE
PROTEASE


(Bacillus
licheniformis)
PF00082
(Peptidase_S8)
4 LEU I 437
GLN I 137
THR I 135
GLU I 392
None
1.37A 3n58C-4zoqI:
2.9
3n58C-4zoqI:
23.13
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.
4zpr HYPOXIA-INDUCIBLE
FACTOR 1-ALPHA


(Mus musculus)
PF00989
(PAS)
PF08447
(PAS_3)
4 LEU B 122
THR B 174
GLU B 126
HIS B 130
None
1.38A 3n58C-4zprB:
undetectable
3n58C-4zprB:
19.54
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.
5ao0 DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1


(Homo sapiens)
PF01966
(HD)
4 LEU A 369
GLN A 326
THR A 365
HIS A 162
None
1.35A 3n58C-5ao0A:
undetectable
3n58C-5ao0A:
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.
5clr LEGK4

(Legionella
pneumophila)
PF00069
(Pkinase)
4 LEU A 123
THR A 145
GLU A 119
HIS A 193
None
1.30A 3n58C-5clrA:
undetectable
3n58C-5clrA:
22.78
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.
5cuo PHOSPHATE
PROPANOYLTRANSFERASE


(Rhodopseudomonas
palustris)
PF06130
(PTAC)
4 LEU A 130
THR A 133
GLU A 105
HIS A  50
None
None
None
ZN  A 503 ( 3.3A)
1.44A 3n58C-5cuoA:
undetectable
3n58C-5cuoA:
19.83
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.
5drn FAB HPU24 HEAVY
CHAIN


(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU A 108
GLN A  39
THR A  89
GLU A 148
None
1.16A 3n58C-5drnA:
undetectable
3n58C-5drnA:
20.14
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.
5ds8 FAB HPU98 HEAVY
CHAIN


(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU A 108
GLN A  39
THR A  89
GLU A 148
EDO  A 303 ( 4.7A)
None
None
EDO  A 303 (-3.6A)
1.26A 3n58C-5ds8A:
undetectable
3n58C-5ds8A:
19.87
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.
5epa SNOK

(Streptomyces
nogalater)
PF05721
(PhyH)
4 LEU A 132
THR A 135
GLU A 124
HIS A 169
None
1.36A 3n58C-5epaA:
undetectable
3n58C-5epaA:
18.98
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.
5f9p ANTHRONE
OXIDASE-LIKE PROTEIN


(Streptomyces
ambofaciens)
PF03992
(ABM)
4 LEU A 162
GLN A  63
THR A  12
HIS A 159
None
None
None
GOL  A 301 (-3.5A)
1.00A 3n58C-5f9pA:
undetectable
3n58C-5f9pA:
20.97
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.
5hxy TYROSINE RECOMBINASE
XERA


(Thermoplasma
acidophilum)
PF00589
(Phage_integrase)
PF13495
(Phage_int_SAM_4)
4 LEU A 240
GLN A 262
THR A 265
HIS A 279
None
1.22A 3n58C-5hxyA:
undetectable
3n58C-5hxyA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i08 SPIKE GLYCOPROTEIN,
ENVELOPE
GLYCOPROTEIN CHIMERA


(Human
coronavirus
HKU1;
Human
immunodeficiency
virus 1)
PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD)
4 LEU A1142
GLN A1016
GLU A 800
HIS A1145
None
0.98A 3n58C-5i08A:
undetectable
3n58C-5i08A:
15.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i8o HMM5 ANTIBODY HEAVY
CHAIN


(Homo sapiens)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU H 111
GLN H  38
THR H  90
GLU H 151
None
1.14A 3n58C-5i8oH:
undetectable
3n58C-5i8oH:
21.04
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.
5j68 ASTROTACTIN-2

(Homo sapiens)
PF01823
(MACPF)
4 LEU A1014
GLN A1040
THR A1045
HIS A1127
None
1.49A 3n58C-5j68A:
undetectable
3n58C-5j68A:
21.49
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.
5m63 H CHAIN OF FAB
NVS-1-19-5


(Oryctolagus
cuniculus)
PF07654
(C1-set)
PF07686
(V-set)
4 LEU H 139
GLN H  57
THR H 111
GLU H 179
None
EDO  L 309 ( 4.1A)
None
None
1.22A 3n58C-5m63H:
undetectable
3n58C-5m63H:
20.92
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.
5mto INHIBITOR OF GROWTH
PROTEIN 5


(Homo sapiens)
no annotation 4 LEU A  21
GLN A  88
THR A  89
GLU A  20
None
1.28A 3n58C-5mtoA:
undetectable
3n58C-5mtoA:
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 14


(Schizosaccharomyces
pombe)
PF08638
(Med14)
4 LEU A 307
GLN A 281
THR A 282
HIS A 329
None
1.45A 3n58C-5n9jA:
undetectable
3n58C-5n9jA:
21.28
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.
5omd DNA DAMAGE
CHECKPOINT PROTEIN
LCD1


(Saccharomyces
cerevisiae)
no annotation 4 LEU A 114
GLN A 116
GLU A 110
HIS A 107
None
1.38A 3n58C-5omdA:
undetectable
3n58C-5omdA:
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.
5tf3 PUTATIVE MEMBRANE
PROTEIN


(Yersinia pestis)
PF06711
(DUF1198)
4 LEU A  46
GLN A  53
THR A  54
HIS A  80
None
1.13A 3n58C-5tf3A:
undetectable
3n58C-5tf3A:
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.
5tpm PYRUVATE
DEHYDROGENASE
COMPLEX REPRESSOR


(Escherichia
coli)
PF07729
(FCD)
4 LEU A 167
GLN A 154
GLU A 159
HIS A 162
None
1.49A 3n58C-5tpmA:
undetectable
3n58C-5tpmA:
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.
5tr9 FERREDOXIN-NADP
REDUCTASE


(Neisseria
gonorrhoeae)
PF00175
(NAD_binding_1)
4 LEU A  32
THR A  29
GLU A 162
HIS A 155
EDO  A 304 ( 4.8A)
None
EDO  A 304 ( 3.8A)
CL  A 307 (-4.1A)
1.29A 3n58C-5tr9A:
undetectable
3n58C-5tr9A:
20.17
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.
5usc PREPHENATE
DEHYDROGENASE


(Bacillus
anthracis)
PF02153
(PDH)
4 LEU A 367
GLN A 373
THR A 374
HIS A 322
None
1.45A 3n58C-5uscA:
4.5
3n58C-5uscA:
23.97
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.
5xjg VACUOLAR PROTEIN 8

(Saccharomyces
cerevisiae)
PF00514
(Arm)
4 LEU A 259
GLN A 270
THR A 229
HIS A 296
None
None
None
PE5  A 601 (-4.1A)
1.20A 3n58C-5xjgA:
undetectable
3n58C-5xjgA:
22.90
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.
5y2v RUBISCO OPERON
TRANSCRIPTIONAL
REGULATOR


(Synechocystis
sp. PCC 6803)
no annotation 4 LEU A  41
GLN A   2
THR A  44
HIS A   6
None
1.49A 3n58C-5y2vA:
undetectable
3n58C-5y2vA:
11.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE


(Elizabethkingia
anophelis)
PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase)
5 LEU A  57
GLN A  62
THR A  63
GLU A 161
HIS A 306
None
ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
ADN  A 501 ( 3.7A)
0.78A 3n58C-6aphA:
59.5
3n58C-6aphA:
59.04
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.
6cjk -

(-)
no annotation 4 LEU B 108
GLN B  39
THR B  89
GLU B 148
None
1.31A 3n58C-6cjkB:
undetectable
3n58C-6cjkB:
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.
6emz INT PROTEIN

(Enterococcus
faecalis)
no annotation 4 LEU A 224
THR A 222
GLU A 228
HIS A 248
None
1.27A 3n58C-6emzA:
undetectable
3n58C-6emzA:
9.54
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.
6eon BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron)
no annotation 4 LEU A 604
GLN A 572
THR A 573
GLU A 602
None
1.49A 3n58C-6eonA:
undetectable
3n58C-6eonA:
20.40
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.
6f3m -

(-)
no annotation 4 GLN B  65
THR B  66
GLU B 164
HIS B 323
K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ADN  B 502 (-3.6A)
ZN  B 505 (-3.2A)
0.16A 3n58C-6f3mB:
54.2
3n58C-6f3mB:
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.
6gbn -

(-)
no annotation 5 LEU A  55
GLN A  60
THR A  61
GLU A 159
HIS A 304
None
NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
ADN  A 501 ( 3.6A)
0.21A 3n58C-6gbnA:
25.0
3n58C-6gbnA:
undetectable