SIMILAR PATTERNS OF AMINO ACIDS FOR 3NY4_A_SMXA309_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.
1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		4 ILE A 378
ARG A 178
THR A 388
GLU A 239
 None
None
SF4  A 466 ( 4.1A)
None
 1.37A 3ny4A-1ao0A:
0.0		 3ny4A-1ao0A:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e25 EXTENDED-SPECTRUM
BETA-LACTAMASE PER-1

(Pseudomonas
aeruginosa) 		PF13354
(Beta-lactamase2) 		4 ILE A 240
ARG A 220
THR A 244
GLU A 276
 None
SO4  A 500 ( 4.2A)
None
None
 1.27A 3ny4A-1e25A:
30.9		 3ny4A-1e25A:
26.55
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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE

(Thermotoga
maritima) 		PF01026
(TatD_DNase) 		4 ILE A 113
ARG A 139
THR A 140
GLU A 136
 None
 1.48A 3ny4A-1j6oA:
0.0		 3ny4A-1j6oA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ldk CULLIN HOMOLOG

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 ILE B 635
THR B 690
GLU B 695
GLU B 697
 None
 1.19A 3ny4A-1ldkB:
1.0		 3ny4A-1ldkB:
21.83
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.
1qyc PHENYLCOUMARAN
BENZYLIC ETHER
REDUCTASE PT1

(Pinus taeda) 		PF05368
(NmrA) 		4 ILE A 281
ARG A 138
THR A 212
GLU A 113
 None
 1.46A 3ny4A-1qycA:
0.0		 3ny4A-1qycA:
18.85
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.
1qyd PINORESINOL-LARICIRE
SINOL REDUCTASE

(Thuja plicata) 		PF05368
(NmrA) 		4 ILE A 286
ARG A 142
THR A 217
GLU A 116
 None
 1.46A 3ny4A-1qydA:
0.0		 3ny4A-1qydA:
19.94
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.
1s4o GLYCOLIPID
2-ALPHA-MANNOSYLTRAN
SFERASE

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		4 ILE A 213
ARG A 130
GLU A 247
GLU A 133
 None
GDP  A 800 ( 3.3A)
MN  A 601 ( 3.1A)
GDP  A 800 (-2.9A)
 1.33A 3ny4A-1s4oA:
0.0		 3ny4A-1s4oA:
19.61
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.
1u1h 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Arabidopsis
thaliana) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ILE A 599
ARG A 493
THR A 539
GLU A 492
 None
 1.33A 3ny4A-1u1hA:
0.0		 3ny4A-1u1hA:
18.02
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.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		4 ILE A  83
ARG A 145
THR A 101
GLU A 147
 None
 1.41A 3ny4A-1vhkA:
undetectable		 3ny4A-1vhkA:
21.47
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.
1vhz ADP COMPOUNDS
HYDROLASE NUDE

(Escherichia
coli) 		PF00293
(NUDIX) 		4 ILE A  52
ARG A 168
GLU A  65
GLU A 166
 None
 1.46A 3ny4A-1vhzA:
undetectable		 3ny4A-1vhzA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w6f ARYLAMINE
N-ACETYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF00797
(Acetyltransf_2) 		4 ILE A 139
ARG A 218
THR A 136
GLU A 152
 None
 1.40A 3ny4A-1w6fA:
undetectable		 3ny4A-1w6fA:
24.25
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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ILE A 559
ARG A 465
THR A 511
GLU A 462
 None
 1.36A 3ny4A-1xpgA:
undetectable		 3ny4A-1xpgA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ILE A 571
ARG A 465
THR A 511
GLU A 464
 None
 1.32A 3ny4A-1xpgA:
undetectable		 3ny4A-1xpgA:
16.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		4 ILE A 282
ARG A 498
THR A 481
GLU A 499
 None
 0.96A 3ny4A-1yy5A:
undetectable		 3ny4A-1yy5A:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z26 ARGONAUTE

(Pyrococcus
furiosus) 		PF02171
(Piwi)
PF12212
(PAZ_siRNAbind) 		4 ILE A 557
ARG A 700
THR A 652
GLU A 636
 None
 1.39A 3ny4A-1z26A:
undetectable		 3ny4A-1z26A:
16.14
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.
2c20 UDP-GLUCOSE
4-EPIMERASE

(Bacillus
anthracis) 		PF01370
(Epimerase) 		4 ARG A 168
THR A 136
GLU A 144
GLU A 150
 None
 1.26A 3ny4A-2c20A:
undetectable		 3ny4A-2c20A:
23.68
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.
2gtl EXTRACELLULAR
HEMOGLOBIN LINKER L3
SUBUNIT
HEMOGLOBIN LINKER
CHAIN L1

(Lumbricus
terrestris) 		PF00057
(Ldl_recept_a)
PF16915
(Eryth_link_C) 		4 ILE O 217
ARG O  53
GLU M  68
GLU M  58
 None
 1.31A 3ny4A-2gtlO:
undetectable		 3ny4A-2gtlO:
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.
2hi0 PUTATIVE
PHOSPHOGLYCOLATE
PHOSPHATASE

(Lactobacillus
delbrueckii) 		PF13419
(HAD_2) 		4 ARG A  91
THR A  32
GLU A  62
GLU A  88
 None
 1.44A 3ny4A-2hi0A:
undetectable		 3ny4A-2hi0A:
23.34
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.
2iik 3-KETOACYL-COA
THIOLASE,
PEROXISOMAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ILE A 249
ARG A 397
GLU A 344
GLU A 394
 None
 1.01A 3ny4A-2iikA:
undetectable		 3ny4A-2iikA:
22.59
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ILE A 570
ARG A 476
THR A 522
GLU A 473
 None
 1.23A 3ny4A-2nq5A:
undetectable		 3ny4A-2nq5A:
17.11
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ILE A 582
ARG A 476
THR A 522
GLU A 475
 None
 1.31A 3ny4A-2nq5A:
undetectable		 3ny4A-2nq5A:
17.11
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ILE A 585
ARG A 476
THR A 522
GLU A 473
 None
 1.40A 3ny4A-2nq5A:
undetectable		 3ny4A-2nq5A:
17.11
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.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 ILE A 165
ARG A 184
THR A 238
GLU A 185
 None
 1.48A 3ny4A-2ohhA:
undetectable		 3ny4A-2ohhA:
22.57
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.
2okc TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		4 ILE A 239
ARG A 156
THR A 181
GLU A 135
 None
SAM  A 500 (-3.1A)
SAM  A 500 (-3.1A)
None
 1.29A 3ny4A-2okcA:
undetectable		 3ny4A-2okcA:
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.
2ou3 TELLURITE RESISTANCE
PROTEIN OF COG3793

(Nostoc
punctiforme) 		PF05099
(TerB) 		4 ILE A  96
THR A  37
GLU A  80
GLU A  77
 None
 1.12A 3ny4A-2ou3A:
undetectable		 3ny4A-2ou3A:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q1t PUTATIVE NUCLEOTIDE
SUGAR EPIMERASE/
DEHYDRATASE

(Bordetella
bronchiseptica) 		PF01370
(Epimerase) 		4 ILE A 241
ARG A 312
GLU A 148
GLU A 309
 None
 1.42A 3ny4A-2q1tA:
undetectable		 3ny4A-2q1tA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vwb PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Methanocaldococcus
jannaschii) 		PF00814
(Peptidase_M22)
PF01163
(RIO1) 		4 ILE A 197
ARG A 380
GLU A 236
GLU A 344
 None
 1.29A 3ny4A-2vwbA:
undetectable		 3ny4A-2vwbA:
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.
3b9j XANTHINE OXIDASE

(Bos taurus) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 ARG B 328
THR B 321
GLU B 414
GLU B 325
 None
 1.41A 3ny4A-3b9jB:
undetectable		 3ny4A-3b9jB:
20.94
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.
3cpi RAB GDP-DISSOCIATION
INHIBITOR

(Saccharomyces
cerevisiae) 		PF00996
(GDI) 		4 ILE G 394
ARG G 339
THR G 366
GLU G 369
 None
 1.39A 3ny4A-3cpiG:
undetectable		 3ny4A-3cpiG:
21.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		5 ILE A 117
ARG A 236
THR A 253
GLU A 289
GLU A 292
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.3A)
DWZ  A 400 (-4.1A)
None
None
 0.62A 3ny4A-3dwzA:
49.6		 3ny4A-3dwzA:
99.62
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.
3eb7 INSECTICIDAL
DELTA-ENDOTOXIN
CRY8EA1

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 ILE A 238
ARG A 565
THR A 292
GLU A 647
 None
 1.33A 3ny4A-3eb7A:
undetectable		 3ny4A-3eb7A:
18.94
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.
3jbh MYOSIN 2 HEAVY CHAIN
STRIATED MUSCLE

(Aphonopelma) 		PF00063
(Myosin_head)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N) 		4 ARG A 269
THR A 232
GLU A 463
GLU A 266
 None
 1.37A 3ny4A-3jbhA:
undetectable		 3ny4A-3jbhA:
8.34
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.
3k0b PREDICTED
N6-ADENINE-SPECIFIC
DNA METHYLASE

(Listeria
monocytogenes) 		PF01170
(UPF0020)
PF02926
(THUMP) 		4 ILE A  17
ARG A 163
THR A 177
GLU A 207
 None
 1.49A 3ny4A-3k0bA:
undetectable		 3ny4A-3k0bA:
22.68
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.
3lk7 UDP-N-ACETYLMURAMOYL
ALANINE--D-GLUTAMATE
LIGASE

(Streptococcus
agalactiae) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ILE A 272
ARG A 313
THR A 125
GLU A 132
 None
 1.27A 3ny4A-3lk7A:
undetectable		 3ny4A-3lk7A:
21.62
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.
3lms CARBOXYPEPTIDASE B2

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 ILE A  86
ARG A 101
THR A  97
GLU A  56
 None
 1.34A 3ny4A-3lmsA:
undetectable		 3ny4A-3lmsA:
17.52
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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ILE A 608
ARG A 502
THR A 548
GLU A 501
 None
 1.35A 3ny4A-3ppcA:
undetectable		 3ny4A-3ppcA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q5i PROTEIN KINASE

(Plasmodium
berghei) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 ILE A 441
THR A 369
GLU A 199
GLU A 371
 None
 1.29A 3ny4A-3q5iA:
undetectable		 3ny4A-3q5iA:
18.61
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.
3qml NUCLEOTIDE EXCHANGE
FACTOR SIL1

(Saccharomyces
cerevisiae) 		PF16782
(SIL1) 		4 ILE C 225
ARG C 205
THR C 201
GLU C 194
 None
 1.28A 3ny4A-3qmlC:
undetectable		 3ny4A-3qmlC:
22.02
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.
3sn0 PUTATIVE
L-ALANINE-DL-GLUTAMA
TE EPIMERASE

(Paraburkholderia
xenovorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A 292
ARG A 346
THR A 324
GLU A 350
 None
 1.25A 3ny4A-3sn0A:
undetectable		 3ny4A-3sn0A:
22.31
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.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		4 ILE A  84
THR A  23
GLU A  67
GLU A  46
 None
 1.41A 3ny4A-3sr3A:
undetectable		 3ny4A-3sr3A:
23.01
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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		4 ILE A1508
THR A1512
GLU A1423
GLU A1136
 None
 1.33A 3ny4A-3topA:
undetectable		 3ny4A-3topA:
13.82
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.
4c0e NOT1

(Chaetomium
thermophilum) 		PF04054
(Not1) 		4 ARG A1983
THR A1986
GLU A2101
GLU A2054
 None
 1.47A 3ny4A-4c0eA:
undetectable		 3ny4A-4c0eA:
20.72
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.
4chc POLYMERASE ACIDIC
PROTEIN

(Thogoto
thogotovirus) 		no annotation 4 ILE A 113
ARG A  65
THR A  84
GLU A  81
 None
 1.19A 3ny4A-4chcA:
undetectable		 3ny4A-4chcA:
21.59
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.
4g59 M152 PROTEIN
RETINOIC ACID
EARLY-INDUCIBLE
PROTEIN 1-GAMMA

(Murid
betaherpesvirus
1;
Mus musculus) 		PF11624
(M157)
PF14586
(MHC_I_2) 		4 ILE C 209
ARG C 200
THR C 198
GLU A 159
 None
 1.31A 3ny4A-4g59C:
undetectable		 3ny4A-4g59C:
19.45
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.
4hse CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF00004
(AAA) 		4 ILE A 338
ARG A 370
THR A 366
GLU A 523
 None
 1.48A 3ny4A-4hseA:
undetectable		 3ny4A-4hseA:
21.87
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.
4jwy GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2D

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		4 ILE A 136
ARG A 121
THR A 116
GLU A  14
 None
1N4  A 301 (-2.9A)
1N4  A 301 (-3.6A)
1N4  A 301 ( 4.9A)
 1.16A 3ny4A-4jwyA:
undetectable		 3ny4A-4jwyA:
23.20
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.
4m5p NADPH DEHYDROGENASE

(Scheffersomyces
stipitis) 		PF00724
(Oxidored_FMN) 		4 ILE A 336
ARG A 289
THR A 331
GLU A 306
 None
 1.17A 3ny4A-4m5pA:
undetectable		 3ny4A-4m5pA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nk6 POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		4 ILE A 342
ARG A 413
THR A 390
GLU A 393
 None
 1.49A 3ny4A-4nk6A:
undetectable		 3ny4A-4nk6A:
20.44
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.
4ozy POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE

(Pseudomonas
syringae group
genomosp. 3) 		PF13229
(Beta_helix) 		4 ILE A 342
ARG A 413
THR A 390
GLU A 393
 None
 1.46A 3ny4A-4ozyA:
undetectable		 3ny4A-4ozyA:
20.30
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.
4q66 PROTEIN BCH1

(Saccharomyces
cerevisiae) 		no annotation 4 ILE K 710
ARG K 280
GLU K 216
GLU K 277
 None
 1.37A 3ny4A-4q66K:
undetectable		 3ny4A-4q66K:
16.71
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.
4ybq SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 5

(Rattus
norvegicus) 		PF00083
(Sugar_tr) 		4 ILE A 262
ARG A  97
GLU A 252
GLU A 151
 None
 1.27A 3ny4A-4ybqA:
undetectable		 3ny4A-4ybqA:
18.60
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.
4yg7 SERINE/THREONINE-PRO
TEIN KINASE HIPA

(Escherichia
coli) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		4 ILE D 163
THR D 177
GLU D 221
GLU D 234
 None
 1.20A 3ny4A-4yg7D:
undetectable		 3ny4A-4yg7D:
22.82
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.
4zkt BONTOXILYSIN A

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 ILE A 247
ARG A 348
GLU A 213
GLU A 336
 None
None
ZN  A1301 (-3.3A)
None
 1.44A 3ny4A-4zktA:
undetectable		 3ny4A-4zktA:
11.76
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.
4ztx COBALAMIN-INDEPENDEN
T METHIONINE
SYNTHASE

(Neurospora
crassa) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ILE A 603
ARG A 497
THR A 543
GLU A 496
 None
 1.37A 3ny4A-4ztxA:
undetectable		 3ny4A-4ztxA:
17.40
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.
5c16 MYOTUBULARIN-RELATED
PROTEIN 1

(Homo sapiens) 		PF02893
(GRAM)
PF06602
(Myotub-related) 		4 ILE A 427
ARG A 238
GLU A 473
GLU A 235
 None
 1.48A 3ny4A-5c16A:
undetectable		 3ny4A-5c16A:
18.13
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.
5d1v GLOBIN

(Chloroflexus
aurantiacus) 		PF01152
(Bac_globin) 		4 ARG A  65
THR A  61
GLU A  13
GLU A  46
 None
 1.41A 3ny4A-5d1vA:
undetectable		 3ny4A-5d1vA:
17.05
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.
5dds CRMG

(Actinoalloteichus
sp. WH1-2216-6) 		PF00202
(Aminotran_3) 		4 ILE A  59
THR A 324
GLU A 105
GLU A 316
 None
 1.37A 3ny4A-5ddsA:
undetectable		 3ny4A-5ddsA:
21.86
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.
5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 ARG A 371
THR A  41
GLU A 356
GLU A 367
 None
 1.38A 3ny4A-5g2vA:
undetectable		 3ny4A-5g2vA:
18.46
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.
5g5g PUTATIVE XANTHINE
DEHYDROGENASE YAGR
MOLYBDENUM-BINDING
SU SUBUNIT
PUTATIVE XANTHINE
DEHYDROGENASE YAGS
FAD-BINDING SUBUNIT

(Escherichia
coli) 		PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 ILE B 227
THR B 306
GLU C 428
GLU C 601
 None
 1.24A 3ny4A-5g5gB:
undetectable		 3ny4A-5g5gB:
23.95
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.
5gzs GGDEF FAMILY PROTEIN

(Vibrio cholerae) 		PF00497
(SBP_bac_3) 		4 ILE A 142
ARG A 109
THR A 147
GLU A 122
 None
ARG  A 501 (-3.0A)
ARG  A 501 (-4.0A)
ARG  A 501 (-2.7A)
 1.31A 3ny4A-5gzsA:
undetectable		 3ny4A-5gzsA:
20.50
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB6

(Homo sapiens) 		PF01192
(RNA_pol_Rpb6) 		4 ILE F 124
ARG F 108
THR F  54
GLU F  61
 None
 1.46A 3ny4A-5iy9F:
undetectable		 3ny4A-5iy9F:
20.66
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 ILE A 276
THR A 571
GLU A 437
GLU A 484
 None
None
ZN  A1001 (-3.1A)
None
 1.43A 3ny4A-5jjrA:
undetectable		 3ny4A-5jjrA:
14.99
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.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		4 ILE A 101
ARG A 186
GLU A  92
GLU A 165
 None
 1.30A 3ny4A-5kkgA:
undetectable		 3ny4A-5kkgA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lm9 TRANSCRIPTION
TERMINATION/ANTITERM
INATION PROTEIN NUSA

(Escherichia
coli) 		PF00575
(S1)
PF08529
(NusA_N)
PF13184
(KH_5) 		4 ILE A 137
ARG A 228
GLU A 171
GLU A 269
 None
 1.39A 3ny4A-5lm9A:
undetectable		 3ny4A-5lm9A:
22.26
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.
5wy8 INTERLEUKIN-1
RECEPTOR ACCESSORY
PROTEIN-LIKE 1

(Homo sapiens) 		no annotation 4 ILE B 211
THR B 234
GLU B 308
GLU B 312
 None
 1.36A 3ny4A-5wy8B:
undetectable		 3ny4A-5wy8B:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2

(Candidatus
Methanoperedens
nitroreducens) 		no annotation 4 ILE A 230
ARG A 214
THR A 287
GLU A 303
 None
 1.41A 3ny4A-6bxnA:
undetectable		 3ny4A-6bxnA:
13.71
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.
6g72 NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT 3
NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT 8

(Mus musculus) 		no annotation 4 ARG b  57
THR X 132
GLU X  58
GLU X  48
 None
 1.30A 3ny4A-6g72b:
undetectable		 3ny4A-6g72b:
12.20