SIMILAR PATTERNS OF AMINO ACIDS FOR 3N58_A_ADNA500_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.
1b7e PROTEIN (TRANSPOSASE
INHIBITOR PROTEIN
FROM TN5)

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5) 		4 GLN A 365
THR A 139
GLU A 327
HIS A 329
 None
 1.26A 3n58A-1b7eA:
undetectable		 3n58A-1b7eA:
21.84
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.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 GLN A 212
THR A 209
THR A 140
HIS A  77
 None
None
None
ZN  A 500 (-3.4A)
 1.12A 3n58A-1ddkA:
3.0		 3n58A-1ddkA:
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.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae) 		PF00566
(RabGAP-TBC) 		4 GLN A 493
THR A 607
GLU A 491
HIS A 575
 None
 1.46A 3n58A-1fkmA:
undetectable		 3n58A-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.
1gy9 ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Escherichia
coli) 		PF02668
(TauD) 		4 GLN A  43
THR A 129
THR A 103
HIS A 153
 None
 1.49A 3n58A-1gy9A:
undetectable		 3n58A-1gy9A:
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.
1mi5 TCR ALPHA CHAIN
TCR BETA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968) 		4 GLN D 127
GLU E 137
THR E 141
HIS E 140
 None
 1.48A 3n58A-1mi5D:
undetectable		 3n58A-1mi5D:
17.25
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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		4 GLN A  80
THR A  79
GLU A  28
THR A  27
 None
 1.49A 3n58A-1ms8A:
undetectable		 3n58A-1ms8A:
21.66
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.
1rgi GELSOLIN

(Equus caballus) 		PF00626
(Gelsolin) 		4 GLN G 347
THR G 348
GLU G 175
THR G 174
 None
 1.44A 3n58A-1rgiG:
undetectable		 3n58A-1rgiG:
23.29
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		4 GLN A 840
GLU A 851
THR A 893
HIS A 821
 None
None
None
MG  A2123 (-3.1A)
 1.05A 3n58A-1sojA:
undetectable		 3n58A-1sojA:
20.87
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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		4 THR A 120
GLU A 125
THR A 100
HIS A  67
 None
 1.27A 3n58A-1tf1A:
undetectable		 3n58A-1tf1A:
18.76
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.
1zgd CHALCONE REDUCTASE

(Medicago sativa) 		PF00248
(Aldo_ket_red) 		4 GLN A  17
THR A  14
THR A 259
HIS A  51
 None
 1.33A 3n58A-1zgdA:
undetectable		 3n58A-1zgdA:
20.78
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.
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 3n58A-2f2lA:
undetectable		 3n58A-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.
2g29 NITRATE TRANSPORT
PROTEIN NRTA

(Synechocystis
sp.) 		PF13379
(NMT1_2) 		4 GLN A 246
THR A 247
THR A 190
HIS A 196
 None
None
NO3  A 700 (-3.9A)
NO3  A 700 (-3.6A)
 1.49A 3n58A-2g29A:
undetectable		 3n58A-2g29A:
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.
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
 1.42A 3n58A-2kd1A:
undetectable		 3n58A-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.
2lt9 PROTEIN SLC8A3

(Mus musculus) 		PF03160
(Calx-beta) 		4 THR A 572
GLU A 661
THR A 538
HIS A 540
 None
 1.43A 3n58A-2lt9A:
undetectable		 3n58A-2lt9A:
17.13
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.09A 3n58A-2nvvA:
2.2		 3n58A-2nvvA:
24.22
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.
2o26 MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Mus musculus) 		no annotation 4 GLN X 275
THR X 277
THR X 306
HIS X 222
 None
 1.31A 3n58A-2o26X:
undetectable		 3n58A-2o26X:
19.78
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		4 THR A 161
GLU A 181
THR A  75
HIS A  81
 None
None
None
FE  A1002 (-3.4A)
 1.34A 3n58A-2p4zA:
undetectable		 3n58A-2p4zA:
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.
2pmt GLUTATHIONE
TRANSFERASE

(Proteus
mirabilis) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 GLN A 163
THR A 160
GLU A 198
THR A 197
 None
 1.37A 3n58A-2pmtA:
undetectable		 3n58A-2pmtA:
17.98
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.
2uw1 PLASTID DELTA4
MULTIFUNCTIONAL
ACYL-ACYL CARRIER
PROTEIN DESATURASE

(Hedera helix) 		PF03405
(FA_desaturase_2) 		4 GLN B 190
THR B 187
GLU B 138
THR B 135
 None
GVM  B1362 ( 3.8A)
FE  B1360 (-2.4A)
None
 1.40A 3n58A-2uw1B:
undetectable		 3n58A-2uw1B:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wmo DEDICATOR OF
CYTOKINESIS PROTEIN
9

(Homo sapiens) 		PF06920
(DHR-2) 		4 GLN A 189
GLU A 178
THR A 154
HIS A 229
 None
 1.43A 3n58A-2wmoA:
undetectable		 3n58A-2wmoA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xtp GTPASE IMAP FAMILY
MEMBER 2

(Homo sapiens) 		PF04548
(AIG1) 		4 GLN A 121
THR A 119
THR A 146
HIS A 147
 None
 1.46A 3n58A-2xtpA:
undetectable		 3n58A-2xtpA:
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 4 THR A  91
GLU A  68
THR A  67
HIS A 580
 None
 1.41A 3n58A-2zuxA:
undetectable		 3n58A-2zuxA:
21.93
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 GLN A  73
THR A  74
GLU A 218
THR A 219
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
 0.75A 3n58A-3ce6A:
59.0		 3n58A-3ce6A:
60.56
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 GLN A  56
THR A  57
GLU A 155
THR A 156
HIS A 300
 ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.0A)
 0.18A 3n58A-3g1uA:
55.8		 3n58A-3g1uA:
58.65
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 GLN A  66
THR A  67
GLU A 199
THR A 200
HIS A 344
 RAB  A 602 (-3.9A)
RAB  A 602 (-4.5A)
RAB  A 602 (-4.6A)
NAD  A 601 ( 2.9A)
RAB  A 602 ( 3.5A)
 0.49A 3n58A-3glqA:
62.4		 3n58A-3glqA:
67.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2
MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 GLN B 376
THR B 374
THR B 367
HIS A  85
 None
 1.48A 3n58A-3h1lB:
undetectable		 3n58A-3h1lB:
23.89
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 GLN A  56
THR A  57
GLU A 155
THR A 156
HIS A 300
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
None
NAD  A 438 (-3.8A)
None
 0.30A 3n58A-3h9uA:
58.6		 3n58A-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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		4 THR A 703
GLU A 727
THR A 768
HIS A 696
 None
None
MG  A 905 (-4.3A)
ZN  A   1 (-3.5A)
 1.36A 3n58A-3ibjA:
undetectable		 3n58A-3ibjA:
20.80
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.
3n3z HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A

(Homo sapiens) 		PF00233
(PDEase_I) 		4 GLN A 304
GLU A 322
THR A 363
HIS A 292
 None
None
None
ZN  A 507 (-3.5A)
 1.48A 3n58A-3n3zA:
undetectable		 3n58A-3n3zA:
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.
3n5l BINDING PROTEIN
COMPONENT OF ABC
PHOSPHONATE
TRANSPORTER

(Pseudomonas
aeruginosa) 		PF12974
(Phosphonate-bd) 		4 GLN A 106
THR A 107
GLU A 201
THR A 200
 None
None
UNL  A 401 ( 3.2A)
None
 1.44A 3n58A-3n5lA:
undetectable		 3n58A-3n5lA:
22.89
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 GLN A  66
THR A  67
GLU A 205
THR A 206
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
 0.14A 3n58A-3oneA:
57.9		 3n58A-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.
3qr5 CARDIAC CA2+ RELEASE
CHANNEL

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 GLN A  33
THR A  27
THR A 210
HIS A 193
 None
 1.09A 3n58A-3qr5A:
undetectable		 3n58A-3qr5A:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qy9 DIHYDRODIPICOLINATE
REDUCTASE

(Staphylococcus
aureus) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 THR A 203
GLU A 194
THR A 132
HIS A 182
 None
 1.41A 3n58A-3qy9A:
6.6		 3n58A-3qy9A:
20.43
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		4 GLN A 194
THR A 207
THR A 284
HIS A 297
 GOL  A 402 (-3.2A)
None
None
None
 1.50A 3n58A-3silA:
undetectable		 3n58A-3silA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u37 ACETYL-XYLAN
ESTERASE EST2A

(Butyrivibrio
proteoclasticus) 		PF13472
(Lipase_GDSL_2) 		4 GLN A  28
GLU A  53
THR A  54
HIS A  82
 None
 1.44A 3n58A-3u37A:
4.5		 3n58A-3u37A:
22.75
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.
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
 1.14A 3n58A-3uscL:
undetectable		 3n58A-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.
3wo4 INTERLEUKIN-18
RECEPTOR 1
INTERLEUKIN-18
RECEPTOR ACCESSORY
PROTEIN

(Homo sapiens) 		PF00047
(ig)
PF13895
(Ig_2)
no annotation 		4 THR C 247
GLU B 273
THR B 271
HIS B 277
 None
 1.48A 3n58A-3wo4C:
undetectable		 3n58A-3wo4C:
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.
4c4v OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 GLN A 446
THR A 423
GLU A 396
THR A 397
 None
 1.44A 3n58A-4c4vA:
undetectable		 3n58A-4c4vA:
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.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		4 THR A  61
GLU A  37
THR A  36
HIS A 550
 None
 1.40A 3n58A-4cagA:
undetectable		 3n58A-4cagA:
22.15
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		4 GLN A 156
THR A   6
THR A 348
HIS A 389
 None
 1.23A 3n58A-4cnkA:
2.2		 3n58A-4cnkA:
22.55
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.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		4 GLN A 708
GLU A 727
THR A 768
HIS A 696
 None
None
MG  A1002 ( 4.7A)
ZN  A1001 (-3.4A)
 1.32A 3n58A-4htzA:
undetectable		 3n58A-4htzA:
20.87
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.
4i59 CYCLOHEXYLAMINE
OXIDASE

(Microbacterium
oxydans) 		PF01593
(Amino_oxidase) 		4 GLN A 223
GLU A  91
THR A  92
HIS A  93
 None
 1.34A 3n58A-4i59A:
undetectable		 3n58A-4i59A:
22.41
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 GLN A  62
THR A  63
GLU A 197
THR A 198
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.16A 3n58A-4lvcA:
62.7		 3n58A-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.
4n6k TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
salexigens) 		PF03480
(DctP) 		4 GLN A 159
THR A 229
THR A 235
HIS A 237
 None
 1.37A 3n58A-4n6kA:
undetectable		 3n58A-4n6kA:
22.44
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.
4ncn EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 GLN A 549
THR A 557
GLU A 804
THR A 563
 GTP  A1001 (-3.8A)
MG  A1002 ( 3.0A)
None
None
 1.44A 3n58A-4ncnA:
undetectable		 3n58A-4ncnA:
24.29
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		4 GLN A 111
THR A 110
THR A  81
HIS A 120
 None
None
MRD  A 301 ( 4.2A)
MRD  A 301 ( 4.8A)
 1.28A 3n58A-4nq1A:
2.0		 3n58A-4nq1A:
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.
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) 		4 GLN A2380
THR A2007
GLU A2095
THR A2096
 None
None
MG  A4404 ( 2.9A)
None
 1.37A 3n58A-4rh7A:
undetectable		 3n58A-4rh7A:
8.46
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 4 GLN A 213
THR A 210
THR A 141
HIS A  78
 None
None
None
ZN  A 301 (-3.4A)
 1.17A 3n58A-4ubqA:
3.4		 3n58A-4ubqA:
19.86
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.
4v0j ACYL-[ACYL-CARRIER-P
ROTEIN] DESATURASE,
CHLOROPLASTIC

(Ricinus
communis) 		PF03405
(FA_desaturase_2) 		4 GLN A 195
THR A 192
GLU A 143
THR A 140
 None
None
FE2  A 365 ( 2.4A)
None
 1.46A 3n58A-4v0jA:
undetectable		 3n58A-4v0jA:
21.17
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		4 GLN A 113
THR A 156
GLU A 163
THR A 164
 None
GOL  A 917 (-3.6A)
None
None
 1.41A 3n58A-4xriA:
undetectable		 3n58A-4xriA:
20.69
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.
4ypj BETA GALACTOSIDASE

(Bacillus
circulans) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 GLN A 685
THR A 686
GLU A 694
THR A 700
 None
 1.49A 3n58A-4ypjA:
undetectable		 3n58A-4ypjA:
20.37
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.
5b3r IMP-18

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 230
THR A 227
THR A 158
HIS A  95
 None
None
None
ZN  A2001 ( 3.4A)
 1.17A 3n58A-5b3rA:
3.3		 3n58A-5b3rA:
21.29
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.
5dfa BETA-GALACTOSIDASE

(Geobacillus
stearothermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 GLN A 591
THR A 497
THR A 501
HIS A 446
 None
 1.47A 3n58A-5dfaA:
5.2		 3n58A-5dfaA:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ffn ENZYME SUBTILASE
SUBTY FROM BACILLUS
SP. TY145

(Bacillus sp.
(in: Bacteria)) 		PF00082
(Peptidase_S8) 		4 GLN A   6
THR A   5
THR A  79
HIS A 256
 None
 1.35A 3n58A-5ffnA:
undetectable		 3n58A-5ffnA:
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.
5hz5 FATTY ACID-BINDING
PROTEIN, EPIDERMAL

(Homo sapiens) 		PF00061
(Lipocalin) 		4 GLN A  64
THR A  63
GLU A  75
THR A  83
 None
65X  A 203 ( 4.8A)
None
None
 1.49A 3n58A-5hz5A:
undetectable		 3n58A-5hz5A:
16.25
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLN A 401
THR A 402
THR A 406
HIS A 367
 None
 1.41A 3n58A-5jjqA:
5.7		 3n58A-5jjqA:
22.92
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.
5jr4 TYPE 1 FIMBIRAL
ADHESIN FIMH

(Escherichia
coli) 		PF00419
(Fimbrial)
PF09160
(FimH_man-bind) 		4 GLN A 133
THR A 134
GLU A  89
THR A  90
 GOL  A 301 (-4.0A)
None
None
None
 1.45A 3n58A-5jr4A:
undetectable		 3n58A-5jr4A:
21.03
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 4 GLN A 357
GLU A 424
THR A 425
HIS A 429
 None
 1.36A 3n58A-5jtaA:
undetectable		 3n58A-5jtaA:
19.97
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.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 361
THR A 362
GLU A  23
THR A  24
 None
 1.32A 3n58A-5mzsA:
undetectable		 3n58A-5mzsA:
12.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 THR A  89
GLU A 339
THR A 340
HIS A 415
 None
 1.22A 3n58A-5ngkA:
undetectable		 3n58A-5ngkA:
23.65
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.
5voc ENVELOPE
GLYCOPROTEIN H

(Human
betaherpesvirus
5) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		4 GLN A 151
THR A 153
THR A 414
HIS A 165
 None
 1.47A 3n58A-5vocA:
undetectable		 3n58A-5vocA:
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.
5wkh D30 TCR BETA CHAIN
T-CELL RECEPTOR
ALPHA VARIABLE
30,T-CELL RECEPTOR,
SP3.4 ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968)
no annotation 		4 GLN D 133
GLU E 150
THR E 154
HIS E 153
 None
 1.43A 3n58A-5wkhD:
undetectable		 3n58A-5wkhD:
16.92
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.
5ywz SUN
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		no annotation 4 GLN A 789
GLU A 823
THR A 821
HIS A 908
 None
 1.33A 3n58A-5ywzA:
undetectable		 3n58A-5ywzA:
11.95
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 GLN A  62
THR A  63
GLU A 161
THR A 162
HIS A 306
 ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.76A 3n58A-6aphA:
59.5		 3n58A-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.
6b4e NUCLEOPORIN GLE1

(Saccharomyces
cerevisiae) 		no annotation 4 GLN B 295
GLU B 342
THR B 341
HIS B 337
 None
 1.43A 3n58A-6b4eB:
undetectable		 3n58A-6b4eB:
10.75
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 157
THR A 153
THR A  86
HIS A  80
 None
 1.38A 3n58A-6cc0A:
undetectable		 3n58A-6cc0A:
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.
6f2t -

(-) 		no annotation 4 GLN A 466
THR A 379
THR A 204
HIS A 374
 None
None
None
ZN  A1002 (-3.1A)
 1.14A 3n58A-6f2tA:
undetectable		 3n58A-6f2tA:
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.
6f3m -

(-) 		no annotation 5 GLN B  65
THR B  66
GLU B 164
THR B 165
HIS B 323
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ADN  B 502 (-3.6A)
NAD  B 501 ( 2.8A)
ZN  B 505 (-3.2A)
 0.16A 3n58A-6f3mB:
54.2		 3n58A-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 GLN A  60
THR A  61
GLU A 159
THR A 160
HIS A 304
 NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 ( 3.6A)
 0.22A 3n58A-6gbnA:
59.1		 3n58A-6gbnA:
undetectable