SIMILAR PATTERNS OF AMINO ACIDS FOR 3NXU_B_RITB600_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.
1dkg MOLECULAR CHAPERONE
DNAK

(Escherichia
coli) 		PF00012
(HSP70) 		5 ILE D 202
LEU D 227
PHE D 232
THR D  11
GLY D 229
 None
 1.45A 3nxuB-1dkgD:
0.0		 3nxuB-1dkgD:
23.46
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.
1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN

(Methanocaldococcus
jannaschii) 		PF00005
(ABC_tran) 		5 ILE A 175
THR A  90
ARG A 212
GLU A 210
GLY A 157
 None
None
CL  A 700 (-4.9A)
None
None
 1.46A 3nxuB-1gajA:
0.0		 3nxuB-1gajA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gqj ALPHA-D-GLUCURONIDAS
E

(Cellvibrio
japonicus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		5 ILE A 207
LEU A 286
PHE A 323
ARG A 155
LEU A 200
 None
 1.46A 3nxuB-1gqjA:
undetectable		 3nxuB-1gqjA:
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.
1io3 CYTOCHROME C2

(Blastochloris
viridis) 		PF00034
(Cytochrom_C) 		5 ARG A  64
ILE A  67
LEU A  34
GLU A  61
GLY A  36
 None
None
HEM  A 108 ( 4.8A)
None
None
 1.03A 3nxuB-1io3A:
undetectable		 3nxuB-1io3A:
13.74
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.
1jg3 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF01135
(PCMT) 		5 ILE A  86
PHE A 218
LEU A  96
GLU A  97
GLY A 167
 None
 1.24A 3nxuB-1jg3A:
0.0		 3nxuB-1jg3A:
18.72
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.
1ka0 HALOTOLERANCE
PROTEIN HAL2

(Saccharomyces
cerevisiae) 		PF00459
(Inositol_P) 		5 ILE A  37
LEU A 151
THR A  21
LEU A 141
GLY A 146
 None
None
None
None
AMP  A 401 ( 4.1A)
 1.49A 3nxuB-1ka0A:
0.0		 3nxuB-1ka0A:
22.65
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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 592
THR A 585
ARG A 566
LEU A 247
GLY A 326
 None
 1.33A 3nxuB-1n21A:
0.0		 3nxuB-1n21A:
20.88
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.
1ni5 PUTATIVE CELL CYCLE
PROTEIN MESJ

(Escherichia
coli) 		PF01171
(ATP_bind_3)
PF09179
(TilS)
PF11734
(TilS_C) 		5 ARG A 187
ILE A  89
THR A 113
ARG A 160
GLY A  22
 None
 1.29A 3nxuB-1ni5A:
0.0		 3nxuB-1ni5A:
21.50
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.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		5 ILE A  41
THR A  69
ARG A 148
LEU A 151
GLY A 135
 None
 1.46A 3nxuB-1oa1A:
0.0		 3nxuB-1oa1A:
21.60
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.
1p4a PUR OPERON REPRESSOR

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF09182
(PuR_N) 		5 ILE A  24
LEU A  59
PHE A  51
LEU A 152
GLY A  57
 None
 1.14A 3nxuB-1p4aA:
0.0		 3nxuB-1p4aA:
20.82
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 LEU A 385
THR A 237
LEU A 578
GLU A 579
GLY A 244
 None
 1.24A 3nxuB-1qlbA:
undetectable		 3nxuB-1qlbA:
21.78
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.
1s4d UROPORPHYRIN-III
C-METHYLTRANSFERASE

(Pseudomonas
denitrificans
(nomen
rejiciendum)) 		PF00590
(TP_methylase) 		5 ARG A 124
ILE A 125
LEU A 116
ARG A  94
GLY A  15
 None
 1.49A 3nxuB-1s4dA:
undetectable		 3nxuB-1s4dA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sj7 TALIN 1

(Mus musculus) 		PF09141
(Talin_middle) 		5 ILE A 543
LEU A 584
THR A 554
GLU A 650
GLY A 617
 None
 1.45A 3nxuB-1sj7A:
undetectable		 3nxuB-1sj7A:
19.60
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.
1sj8 TALIN 1

(Mus musculus) 		PF09141
(Talin_middle) 		5 ILE A 543
LEU A 584
THR A 554
GLU A 650
GLY A 617
 None
 1.31A 3nxuB-1sj8A:
undetectable		 3nxuB-1sj8A:
21.02
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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 ARG A 587
ILE A 571
THR A 557
LEU A 591
GLU A 588
 None
 1.28A 3nxuB-1wacA:
undetectable		 3nxuB-1wacA:
22.97
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.
1x0u HYPOTHETICAL
METHYLMALONYL-COA
DECARBOXYLASE ALPHA
SUBUNIT

(Sulfurisphaera
tokodaii) 		PF01039
(Carboxyl_trans) 		5 ARG A 466
ILE A 453
ARG A 471
LEU A 473
GLY A 440
 None
 1.43A 3nxuB-1x0uA:
undetectable		 3nxuB-1x0uA:
21.39
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 ILE A 405
LEU A 408
PHE A 416
LEU A 361
GLY A 417
 None
 1.39A 3nxuB-1x87A:
undetectable		 3nxuB-1x87A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ywf PHOSPHOTYROSINE
PROTEIN PHOSPHATASE
PTPB

(Mycobacterium
tuberculosis) 		PF13350
(Y_phosphatase3) 		5 ILE A 262
PHE A 169
LEU A 180
GLU A 176
GLY A 168
 None
 1.06A 3nxuB-1ywfA:
undetectable		 3nxuB-1ywfA:
21.60
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.
2a3v SITE-SPECIFIC
RECOMBINASE INTI4

(Vibrio cholerae) 		PF00589
(Phage_integrase)
PF13495
(Phage_int_SAM_4) 		5 LEU A 169
ARG A 270
LEU A 136
GLU A 138
GLY A 131
 None
 1.45A 3nxuB-2a3vA:
undetectable		 3nxuB-2a3vA:
20.41
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.
2amc PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 ARG B 499
ILE A 103
LEU B 498
GLU B 500
GLY A  98
 None
 1.30A 3nxuB-2amcB:
undetectable		 3nxuB-2amcB:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		5 ARG A 456
ILE A 877
LEU A 850
PHE A 632
GLY A 633
 EPE  A1152 ( 4.8A)
None
None
None
None
 1.30A 3nxuB-2eyqA:
undetectable		 3nxuB-2eyqA:
18.50
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE

(Enterovirus C) 		PF00548
(Peptidase_C3)
PF00680
(RdRP_1) 		5 ILE 1  15
THR 1  20
ARG 1  79
GLU 1  81
GLY 1  51
 None
 1.16A 3nxuB-2ijd1:
undetectable		 3nxuB-2ijd1:
21.09
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 ARG X  90
ARG X 396
LEU X 424
GLU X 423
GLY X  99
 None
 1.47A 3nxuB-2iv2X:
undetectable		 3nxuB-2iv2X:
20.76
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.
2ix8 ELONGATION FACTOR 3A

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran) 		5 ILE A1282
LEU A1290
ARG A1252
LEU A1249
GLY A1292
 None
 1.50A 3nxuB-2ix8A:
undetectable		 3nxuB-2ix8A:
19.90
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.
2k6g REPLICATION FACTOR C
SUBUNIT 1

(Homo sapiens) 		PF00533
(BRCT) 		5 ILE A 470
LEU A 407
THR A 438
LEU A 465
GLY A 409
 None
 1.42A 3nxuB-2k6gA:
undetectable		 3nxuB-2k6gA:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ka9 DISKS LARGE HOMOLOG
4

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 ARG A  85
ILE A   6
LEU A  15
GLU A  62
GLY A  81
 None
 1.35A 3nxuB-2ka9A:
undetectable		 3nxuB-2ka9A:
16.26
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.
2pbp ENOYL-COA HYDRATASE
SUBUNIT I

(Geobacillus
kaustophilus) 		PF00378
(ECH_1) 		5 ARG A 196
ARG A  51
LEU A 197
GLU A 199
GLY A  13
 None
 1.42A 3nxuB-2pbpA:
undetectable		 3nxuB-2pbpA:
19.84
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.
2r9q 2'-DEOXYCYTIDINE
5'-TRIPHOSPHATE
DEAMINASE

(Agrobacterium
fabrum) 		PF06559
(DCD) 		5 ARG A 319
LEU A 254
ARG A 119
GLU A 317
GLY A 219
 None
 1.16A 3nxuB-2r9qA:
undetectable		 3nxuB-2r9qA:
23.12
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		5 ARG A 982
ILE A 981
LEU A1152
LEU A 723
GLY A1012
 None
 1.48A 3nxuB-2rhpA:
undetectable		 3nxuB-2rhpA:
20.88
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.
2zai OLIGOSACCHARYL
TRANSFERASE STT3
SUBUNIT RELATED
PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 ARG A 941
ILE A 870
LEU A 930
ARG A 874
GLY A 935
 None
 1.45A 3nxuB-2zaiA:
undetectable		 3nxuB-2zaiA:
22.39
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.
3aeq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		5 LEU B 120
THR B  94
ARG B  18
LEU B  42
GLY B 132
 None
 1.19A 3nxuB-3aeqB:
undetectable		 3nxuB-3aeqB:
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.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 ILE A 507
LEU A 488
ARG A 538
GLU A 523
GLY A 541
 None
 1.31A 3nxuB-3b9eA:
undetectable		 3nxuB-3b9eA:
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.
3c8w ACETOACETATE
DECARBOXYLASE ADC

(Legionella
pneumophila) 		PF06314
(ADC) 		5 ILE A  73
LEU A 243
ARG A 118
LEU A 127
GLY A 116
 None
None
LCK  A 125 (-3.9A)
None
None
 1.32A 3nxuB-3c8wA:
undetectable		 3nxuB-3c8wA:
19.92
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.
3cz8 PUTATIVE
SPORULATION-SPECIFIC
GLYCOSYLASE YDHD

(Bacillus
subtilis) 		PF00704
(Glyco_hydro_18) 		5 ILE A 177
LEU A 182
PHE A 222
GLU A 212
GLY A 257
 None
None
None
GOL  A 502 (-3.4A)
None
 1.46A 3nxuB-3cz8A:
undetectable		 3nxuB-3cz8A:
20.28
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		5 ARG A 283
ILE A 342
LEU A 325
LEU A 280
GLY A 306
 None
 1.23A 3nxuB-3fjyA:
undetectable		 3nxuB-3fjyA:
22.85
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.
3fjy PROBABLE MUTT1
PROTEIN

(Bifidobacterium
adolescentis) 		PF00293
(NUDIX)
PF00300
(His_Phos_1) 		5 ARG A 283
ILE A 342
LEU A 325
LEU A 280
GLY A 307
 None
 1.36A 3nxuB-3fjyA:
undetectable		 3nxuB-3fjyA:
22.85
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.
3gra TRANSCRIPTIONAL
REGULATOR, ARAC
FAMILY

(Pseudomonas
putida) 		PF01965
(DJ-1_PfpI) 		5 LEU A 175
PHE A 173
LEU A 212
GLU A 209
GLY A 187
 None
 1.41A 3nxuB-3graA:
undetectable		 3nxuB-3graA:
18.69
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.
3h4l DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae) 		PF01119
(DNA_mis_repair)
PF13589
(HATPase_c_3) 		5 ARG A 292
THR A 382
LEU A 351
GLU A 350
GLY A 295
 None
 1.24A 3nxuB-3h4lA:
undetectable		 3nxuB-3h4lA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 ARG A1017
LEU A1452
THR A1528
GLU A1016
GLY A1011
 None
 1.05A 3nxuB-3hmjA:
undetectable		 3nxuB-3hmjA:
14.01
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.
3hr6 PUTATIVE
SURFACE-ANCHORED
FIMBRIAL SUBUNIT

(Corynebacterium
diphtheriae) 		no annotation 5 ARG A 163
THR A 131
ARG A 345
LEU A 344
GLY A  86
 None
 1.49A 3nxuB-3hr6A:
undetectable		 3nxuB-3hr6A:
23.99
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.
3hyj PROTEIN DUF199/WHIA

(Thermotoga
maritima) 		PF10298
(WhiA_N)
PF14527
(LAGLIDADG_WhiA) 		5 ILE A 185
LEU A 151
THR A 143
GLU A 135
GLY A 160
 None
 1.43A 3nxuB-3hyjA:
undetectable		 3nxuB-3hyjA:
18.20
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.
3i4u ATP-DEPENDENT RNA
HELICASE DHX8

(Homo sapiens) 		PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 ARG A 979
LEU A1006
ARG A1088
GLU A 982
GLY A1084
 BR  A   1 (-4.1A)
None
GOL  A  12 (-4.0A)
None
GOL  A  13 ( 3.3A)
 1.38A 3nxuB-3i4uA:
undetectable		 3nxuB-3i4uA:
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.
3kwl UNCHARACTERIZED
PROTEIN

(Helicobacter
pylori) 		no annotation 5 ILE A 113
LEU A 121
PHE A 124
LEU A 162
GLY A 142
 None
 1.47A 3nxuB-3kwlA:
undetectable		 3nxuB-3kwlA:
22.30
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.
3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A) 		5 LEU A 975
ARG A 823
LEU A 822
GLU A 820
GLY A 784
 None
 1.47A 3nxuB-3lj0A:
undetectable		 3nxuB-3lj0A:
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.
3mr7 ADENYLATE/GUANYLATE
CYCLASE/HYDROLASE,
ALPHA/BETA FOLD
FAMILY

(Ruegeria
pomeroyi) 		PF00211
(Guanylate_cyc) 		5 ILE A  42
ARG A  94
LEU A 120
GLU A 121
GLY A 127
 None
 1.41A 3nxuB-3mr7A:
undetectable		 3nxuB-3mr7A:
17.01
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.
3oqb OXIDOREDUCTASE

(Bradyrhizobium
diazoefficiens) 		PF01408
(GFO_IDH_MocA) 		5 ARG A 168
ILE A 258
LEU A 210
ARG A 271
GLU A 170
 None
 1.32A 3nxuB-3oqbA:
undetectable		 3nxuB-3oqbA:
21.41
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.
3pq1 POLY(A) RNA
POLYMERASE

(Homo sapiens) 		no annotation 5 ILE A 226
LEU A 334
PHE A 230
ARG A 207
GLY A 231
 None
 1.37A 3nxuB-3pq1A:
undetectable		 3nxuB-3pq1A:
23.05
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.
3qhb SYMERYTHRIN

(Cyanophora
paradoxa) 		PF02915
(Rubrerythrin) 		5 ILE A 130
ARG A 119
LEU A 121
GLU A 122
GLY A  12
 None
 1.28A 3nxuB-3qhbA:
undetectable		 3nxuB-3qhbA:
17.95
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.
3she MAP KINASE-ACTIVATED
PROTEIN KINASE 3

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A 130
LEU A 172
THR A 175
ARG A 148
GLU A 145
 None
 1.34A 3nxuB-3sheA:
undetectable		 3nxuB-3sheA:
20.84
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.
3u6n HIGH-CONDUCTANCE
CA2+-ACTIVATED K+
CHANNEL PROTEIN

(Danio rerio) 		PF02254
(TrkA_N)
PF03493
(BK_channel_a) 		5 ILE A 566
LEU A 503
PHE A 493
ARG A 942
GLY A 492
 None
 1.40A 3nxuB-3u6nA:
undetectable		 3nxuB-3u6nA:
21.45
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.
3zeu PROBABLE TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN GCP

(Salmonella
enterica) 		PF00814
(Peptidase_M22) 		5 ILE B 305
LEU B 121
ARG B   2
LEU B  63
GLY B  23
 None
 1.42A 3nxuB-3zeuB:
undetectable		 3nxuB-3zeuB:
21.02
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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 5 ILE A 313
LEU A 486
THR A 405
LEU A 497
GLY A 346
 None
 1.44A 3nxuB-4bb9A:
1.9		 3nxuB-4bb9A:
22.66
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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 5 ILE A 343
LEU A 378
PHE A 385
ARG A 358
GLY A 382
 None
 1.25A 3nxuB-4bb9A:
1.9		 3nxuB-4bb9A:
22.66
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.
4i4i 6-PHOSPHOFRUCTOKINAS
E

(Geobacillus
stearothermophilus) 		PF00365
(PFK) 		5 ILE A  45
LEU A 112
PHE A 117
ARG A   3
GLY A  96
 None
 1.00A 3nxuB-4i4iA:
undetectable		 3nxuB-4i4iA:
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.
4knh NUP192P

(Chaetomium
thermophilum) 		PF11894
(Nup192) 		5 ILE A 555
LEU A 609
ARG A 397
LEU A 468
GLU A 514
 None
 1.50A 3nxuB-4knhA:
undetectable		 3nxuB-4knhA:
18.43
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.
4lna PURINE NUCLEOSIDE
PHOSPHORYLASE

(Spirosoma
linguale) 		PF01048
(PNP_UDP_1) 		5 ILE A 249
THR A 212
LEU A 260
GLU A 257
GLY A  78
 MPD  A 503 ( 4.4A)
None
None
None
None
 0.88A 3nxuB-4lnaA:
undetectable		 3nxuB-4lnaA:
20.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		6 ARG A 105
ILE A 120
THR A 309
ARG A 372
LEU A 373
GLU A 374
 HEM  A 601 ( 2.8A)
None
2QH  A 602 ( 3.7A)
None
HEM  A 601 (-4.1A)
2QH  A 602 ( 4.8A)
 0.53A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		6 ARG A 105
THR A 309
ARG A 372
LEU A 373
GLU A 374
GLY A 481
 HEM  A 601 ( 2.8A)
2QH  A 602 ( 3.7A)
None
HEM  A 601 (-4.1A)
2QH  A 602 ( 4.8A)
None
 0.83A 3nxuB-4ny4A:
53.1		 3nxuB-4ny4A:
100.00
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.
4q88 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF07470
(Glyco_hydro_88) 		5 ARG A 253
LEU A 305
PHE A 296
LEU A 159
GLY A 295
 None
 1.14A 3nxuB-4q88A:
undetectable		 3nxuB-4q88A:
22.48
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.
4r9x COPPER HOMEOSTASIS
PROTEIN CUTC

(Bacillus
anthracis) 		PF03932
(CutC) 		5 LEU A  93
PHE A  63
THR A 134
LEU A 173
GLY A  91
 None
PGE  A 301 (-4.3A)
None
None
None
 1.23A 3nxuB-4r9xA:
undetectable		 3nxuB-4r9xA:
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		5 ILE A1473
LEU A1454
PHE A1458
LEU A1514
GLY A1460
 None
 1.49A 3nxuB-4rh7A:
undetectable		 3nxuB-4rh7A:
9.40
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.
4s38 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Thermus
thermophilus) 		PF04551
(GcpE) 		5 LEU A 287
THR A 258
ARG A 216
LEU A 211
GLY A 254
 None
KCX  A 108 ( 4.2A)
None
None
None
 1.32A 3nxuB-4s38A:
undetectable		 3nxuB-4s38A:
21.98
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.
4uph SULFATASE (SULFURIC
ESTER HYDROLASE)
PROTEIN

(Agrobacterium
tumefaciens) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 ILE A 377
LEU A 402
THR A 321
LEU A 305
GLY A  51
 None
 1.37A 3nxuB-4uphA:
undetectable		 3nxuB-4uphA:
21.72
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.
4wb7 DNAJ HOMOLOG
SUBFAMILY B MEMBER
1,CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA

(Homo sapiens) 		PF00069
(Pkinase)
PF00226
(DnaJ) 		5 ILE A 128
PHE A 402
THR A  92
LEU A 150
GLU A 146
 None
 1.43A 3nxuB-4wb7A:
undetectable		 3nxuB-4wb7A:
21.56
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.
4xpr ALPHA-GLUCOSIDASE

(Pseudopedobacter
saltans) 		PF01055
(Glyco_hydro_31)
PF17137
(DUF5110) 		5 ILE A 442
PHE A 450
THR A 131
GLU A 566
GLY A 101
 None
EDO  A1001 (-4.8A)
None
None
None
 1.31A 3nxuB-4xprA:
undetectable		 3nxuB-4xprA:
22.43
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.
5b5r GASDERMIN-A3

(Mus musculus) 		PF04598
(Gasdermin) 		5 LEU A  61
PHE A  36
THR A  56
ARG A 209
LEU A 210
 None
 1.48A 3nxuB-5b5rA:
undetectable		 3nxuB-5b5rA:
22.54
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.
5bnd ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Staphylococcus
epidermidis) 		no annotation 5 ILE A 448
LEU A 458
PHE A 452
LEU A 338
GLY A 453
 None
 1.40A 3nxuB-5bndA:
undetectable		 3nxuB-5bndA:
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.
5du2 ESPG2
GLYCOSYLTRANSFERASE

(Actinomadura
verrucosospora) 		PF00201
(UDPGT) 		5 ARG A 212
ILE A 192
LEU A 340
THR A 302
GLY A 316
 None
 1.19A 3nxuB-5du2A:
undetectable		 3nxuB-5du2A:
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.
5hpk E3 UBIQUITIN-PROTEIN
LIGASE NEDD4-LIKE

(Homo sapiens) 		PF00632
(HECT) 		5 LEU A 673
PHE A 711
THR A 885
LEU A 650
GLY A 709
 None
 1.45A 3nxuB-5hpkA:
undetectable		 3nxuB-5hpkA:
22.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hvm ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		5 ILE A 251
LEU A 454
PHE A 451
LEU A 372
GLY A 404
 None
 1.36A 3nxuB-5hvmA:
undetectable		 3nxuB-5hvmA:
22.35
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.
5hzg F-BOX/LRR-REPEAT
MAX2 HOMOLOG

(Oryza sativa) 		no annotation 5 ILE B 356
LEU B 361
LEU B 373
GLU B 347
GLY B 366
 None
 1.18A 3nxuB-5hzgB:
undetectable		 3nxuB-5hzgB:
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.
5ij6 LIPOATE--PROTEIN
LIGASE

(Enterococcus
faecalis) 		PF03099
(BPL_LplA_LipB)
PF10437
(Lip_prot_lig_C) 		5 ILE A  36
LEU A 205
PHE A  84
LEU A  21
GLU A  18
 None
 1.16A 3nxuB-5ij6A:
undetectable		 3nxuB-5ij6A:
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.
5v76 MICROCOMPARTMENTS
PROTEIN

(Haliangium
ochraceum) 		no annotation 5 LEU A  63
PHE A 170
THR A   7
ARG A 175
LEU A 141
 None
 1.15A 3nxuB-5v76A:
undetectable		 3nxuB-5v76A:
17.01
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.
5v8c TRANSCRIPTIONAL
REGULATOR

(Actinomyces
oris) 		no annotation 5 ILE A 332
LEU A 134
THR A  95
ARG A 352
GLY A 183
 None
 1.42A 3nxuB-5v8cA:
undetectable		 3nxuB-5v8cA:
10.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 5 ARG A 105
THR A 309
LEU A 373
GLU A 374
GLY A 480
 HEM  A 601 (-2.8A)
HEM  A 601 ( 3.5A)
HEM  A 601 ( 4.2A)
RIT  A 602 ( 4.8A)
RIT  A 602 ( 3.7A)
 0.85A 3nxuB-5veuA:
48.9		 3nxuB-5veuA:
83.33
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A  49
LEU A   7
ARG A  93
LEU A  92
GLY A  81
 None
 1.49A 3nxuB-5vm1A:
undetectable		 3nxuB-5vm1A:
21.34
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 5 ILE A 526
LEU A 509
ARG A 552
LEU A 554
GLY A 545
 None
 1.44A 3nxuB-5wblA:
undetectable		 3nxuB-5wblA:
10.47
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.
5y9w POLLEN RECEPTOR-LIKE
KINASE 6

(Arabidopsis
thaliana) 		no annotation 5 LEU B  48
PHE B  63
ARG B 102
LEU B 126
GLY B  64
 None
None
SO4  B 703 (-3.2A)
None
None
 1.20A 3nxuB-5y9wB:
undetectable		 3nxuB-5y9wB:
11.27
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 5 ILE A 508
ARG A 367
LEU A 267
GLU A 369
GLY A 365
 None
 1.11A 3nxuB-5z5dA:
undetectable		 3nxuB-5z5dA:
9.90
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.
5zmy -

(-) 		no annotation 5 ILE A  91
THR A 281
LEU A  28
GLU A  29
GLY A 270
 None
 1.09A 3nxuB-5zmyA:
undetectable		 3nxuB-5zmyA:
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.
6ar3 GSI-IIC RT

(Geobacillus
stearothermophilus) 		no annotation 5 ARG A 360
ILE A 361
LEU A 369
THR A 390
LEU A 352
 None
 1.41A 3nxuB-6ar3A:
undetectable		 3nxuB-6ar3A:
20.52
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.
6eno DEHYDRATASE FAMILY
PROTEIN

(Carboxydothermus
hydrogenoformans) 		no annotation 5 ARG A 334
ILE A 207
LEU A 200
GLU A 319
GLY A 326
 None
None
None
GOL  A 504 (-2.4A)
None
 1.33A 3nxuB-6enoA:
undetectable		 3nxuB-6enoA:
8.52
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.
6fpe ATPASE YJEE,
PREDICTED TO HAVE
ESSENTIAL ROLE IN
CELL WALL
BIOSYNTHESIS

(Thermotoga
maritima) 		no annotation 5 ILE E  76
LEU E  33
PHE E  44
THR E  63
GLY E  40
 None
None
None
None
APC  E 201 (-3.6A)
 1.47A 3nxuB-6fpeE:
undetectable		 3nxuB-6fpeE:
10.97