SIMILAR PATTERNS OF AMINO ACIDS FOR 5N0O_A_SAMA501_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.
1aa2 BETA-SPECTRIN

(Homo sapiens) 		PF00307
(CH) 		3 ALA A  36
GLN A  13
THR A  16
 None
 0.71A 5n0oA-1aa2A:
undetectable		 5n0oA-1aa2A:
13.30
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.
1avv NEGATIVE FACTOR

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		3 ALA A  84
GLN A 125
THR A 138
 None
 0.69A 5n0oA-1avvA:
undetectable		 5n0oA-1avvA:
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.
1ddb PROTEIN (BID)

(Mus musculus) 		PF06393
(BID) 		3 ALA A 137
GLN A 108
THR A 104
 None
 0.72A 5n0oA-1ddbA:
0.0		 5n0oA-1ddbA:
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.
1e3d [NIFE] HYDROGENASE
LARGE SUBUNIT

(Desulfovibrio
desulfuricans) 		PF00374
(NiFeSe_Hases) 		3 ALA B  79
GLN B 227
THR B 229
 None
F3S  A 267 (-3.4A)
None
 0.60A 5n0oA-1e3dB:
0.0		 5n0oA-1e3dB:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6z CHITINASE B

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		3 ALA A 217
GLN A 306
THR A 378
 None
 0.76A 5n0oA-1e6zA:
0.0		 5n0oA-1e6zA:
21.85
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.
1eb6 NEUTRAL PROTEASE II

(Aspergillus
oryzae) 		PF02102
(Peptidase_M35) 		3 ALA A  91
GLN A 122
THR A 125
 None
 0.59A 5n0oA-1eb6A:
0.0		 5n0oA-1eb6A:
20.10
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.
1ee1 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Bacillus
subtilis) 		PF02540
(NAD_synthase) 		3 ALA A 198
GLN A  49
THR A  52
 None
 0.75A 5n0oA-1ee1A:
0.0		 5n0oA-1ee1A:
23.14
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.
1ego GLUTAREDOXIN

(Escherichia
coli) 		PF00462
(Glutaredoxin) 		3 ALA A  21
GLN A  32
THR A   3
 None
 0.70A 5n0oA-1egoA:
0.1		 5n0oA-1egoA:
13.02
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.
1fou UPPER COLLAR PROTEIN

(Bacillus virus
phi29) 		PF05352
(Phage_connector) 		3 ALA A  35
GLN A  59
THR A 130
 None
 0.60A 5n0oA-1fouA:
undetectable		 5n0oA-1fouA:
20.24
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.
1ge7 PEPTIDYL-LYS
METALLOENDOPEPTIDASE

(Grifola
frondosa) 		PF14521
(Aspzincin_M35) 		3 ALA A  84
GLN A 111
THR A 114
 None
 0.66A 5n0oA-1ge7A:
0.0		 5n0oA-1ge7A:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsw L-ASPARTATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		3 ALA A 283
GLN A 219
THR A 221
 None
 0.71A 5n0oA-1jswA:
undetectable		 5n0oA-1jswA:
23.58
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.
1mza PRO-GRANZYME K

(Homo sapiens) 		PF00089
(Trypsin) 		3 ALA A  55
GLN A  99
THR A 229
 None
 0.72A 5n0oA-1mzaA:
undetectable		 5n0oA-1mzaA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		3 ALA A 520
GLN A   5
THR A   9
 None
SF4  A1554 (-4.7A)
SF4  A1554 (-3.9A)
 0.72A 5n0oA-1oa1A:
undetectable		 5n0oA-1oa1A:
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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 3 ALA B  50
GLN B  25
THR B  32
 None
 0.69A 5n0oA-1p3wB:
3.1		 5n0oA-1p3wB:
21.63
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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		3 ALA A  12
GLN A  20
THR A 197
 None
 0.61A 5n0oA-1pe9A:
undetectable		 5n0oA-1pe9A:
20.05
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.
1ph5 TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		3 ALA A 448
GLN A 412
THR A 435
 None
 0.74A 5n0oA-1ph5A:
undetectable		 5n0oA-1ph5A:
21.88
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.
1pho PHOSPHOPORIN

(Escherichia
coli) 		PF00267
(Porin_1) 		3 ALA A 251
GLN A 255
THR A 234
 None
 0.75A 5n0oA-1phoA:
undetectable		 5n0oA-1phoA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Haemophilus
influenzae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 ALA A  99
GLN A  74
THR A  79
 NAP  A1372 (-3.2A)
NAP  A1372 (-3.0A)
None
 0.63A 5n0oA-1pquA:
undetectable		 5n0oA-1pquA:
20.51
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		3 ALA A 257
GLN A 279
THR A 273
 None
None
NAG  A 803 (-2.6A)
 0.00A 5n0oA-1q5aA:
undetectable		 5n0oA-1q5aA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r5e AVIRULENCE PROTEIN

(Pseudomonas
syringae) 		PF11592
(AvrPto) 		3 ALA A 112
GLN A  77
THR A  79
 None
 0.50A 5n0oA-1r5eA:
undetectable		 5n0oA-1r5eA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r6e TYPEIII-SECRETED
PROTEIN EFFECTOR:
INVASION-ASSOCIATED
PROTEIN

(Salmonella
enterica) 		PF07487
(SopE_GEF) 		3 ALA A 147
GLN A 225
THR A 227
 None
 0.71A 5n0oA-1r6eA:
undetectable		 5n0oA-1r6eA:
17.77
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.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Escherichia
coli) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 ALA A  98
GLN A  73
THR A  78
 None
 0.69A 5n0oA-1t4bA:
undetectable		 5n0oA-1t4bA:
21.90
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.
1t9k PROBABLE
METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Thermotoga
maritima) 		PF01008
(IF-2B) 		3 ALA A 185
GLN A 193
THR A 198
 None
SO4  A 401 (-4.4A)
None
 0.76A 5n0oA-1t9kA:
undetectable		 5n0oA-1t9kA:
22.03
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 ALA A 152
GLN A 333
THR A 761
 None
2MD  A 800 (-3.5A)
None
 0.71A 5n0oA-1tmoA:
undetectable		 5n0oA-1tmoA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		3 ALA A 513
GLN A   8
THR A  12
 None
SF4  A1544 (-4.6A)
SF4  A1544 (-3.9A)
 0.70A 5n0oA-1upxA:
undetectable		 5n0oA-1upxA:
21.43
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.
1wu0 ATP SYNTHASE C CHAIN

(Bacillus sp.
PS3) 		PF00137
(ATP-synt_C) 		3 ALA A  35
GLN A  45
THR A  47
 None
 0.76A 5n0oA-1wu0A:
undetectable		 5n0oA-1wu0A:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		3 ALA A  90
GLN A   9
THR A 286
 None
 0.71A 5n0oA-1ym5A:
undetectable		 5n0oA-1ym5A:
20.33
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		3 ALA A 216
GLN A 224
THR A 229
 None
SO4  A 402 (-4.2A)
None
 0.75A 5n0oA-2a0uA:
1.8		 5n0oA-2a0uA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2afh NITROGENASE
MOLYBDENUM-IRON
PROTEIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		3 ALA B 273
GLN B 268
THR B 263
 None
 0.74A 5n0oA-2afhB:
2.4		 5n0oA-2afhB:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2btd PTS-DEPENDENT
DIHYDROXYACETONE
KINASE

(Escherichia
coli) 		PF02734
(Dak2) 		3 ALA A 194
GLN A 167
THR A 169
 None
 0.76A 5n0oA-2btdA:
undetectable		 5n0oA-2btdA:
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.
2frv PERIPLASMIC
HYDROGENASE

(Desulfovibrio
gigas) 		no annotation 3 ALA L  73
GLN L 221
THR L 223
 None
 0.68A 5n0oA-2frvL:
undetectable		 5n0oA-2frvL:
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.
2g3b PUTATIVE TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N)
PF13977
(TetR_C_6) 		3 ALA A  76
GLN A 137
THR A 139
 None
 0.66A 5n0oA-2g3bA:
undetectable		 5n0oA-2g3bA:
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.
2h1n OLIGOENDOPEPTIDASE F

(Geobacillus
stearothermophilus) 		PF01432
(Peptidase_M3) 		3 ALA A 324
GLN A  74
THR A  65
 None
 0.69A 5n0oA-2h1nA:
undetectable		 5n0oA-2h1nA:
21.58
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.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		3 ALA A 166
GLN A  57
THR A 146
 None
 0.73A 5n0oA-2iluA:
undetectable		 5n0oA-2iluA:
23.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jif SHORT/BRANCHED CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ALA A 407
GLN A 380
THR A 382
 None
 0.76A 5n0oA-2jifA:
undetectable		 5n0oA-2jifA:
23.48
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		3 ALA A 511
GLN A 475
THR A 479
 None
GOL  A 755 (-4.9A)
None
 0.66A 5n0oA-2pziA:
undetectable		 5n0oA-2pziA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qvp UNCHARACTERIZED
PROTEIN

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		3 ALA A 257
GLN A 249
THR A 245
 None
 0.66A 5n0oA-2qvpA:
undetectable		 5n0oA-2qvpA:
21.90
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.
2v3c SIGNAL RECOGNITION
54 KDA PROTEIN

(Methanocaldococcus
jannaschii) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		3 ALA C 143
GLN C 109
THR C 114
 None
 0.73A 5n0oA-2v3cC:
undetectable		 5n0oA-2v3cC:
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.
2vhl N-ACETYLGLUCOSAMINE-
6-PHOSPHATE
DEACETYLASE

(Bacillus
subtilis) 		PF01979
(Amidohydro_1) 		3 ALA A 110
GLN A 102
THR A  99
 None
 0.68A 5n0oA-2vhlA:
undetectable		 5n0oA-2vhlA:
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.
2xot AMPHOTERIN-INDUCED
PROTEIN 1

(Mus musculus) 		PF07679
(I-set)
PF13855
(LRR_8) 		3 ALA A 342
GLN A 294
THR A 292
 None
 0.72A 5n0oA-2xotA:
undetectable		 5n0oA-2xotA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		3 ALA A 383
GLN A 102
THR A 112
 None
 0.75A 5n0oA-2ynkA:
undetectable		 5n0oA-2ynkA:
21.33
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 3 ALA A 324
GLN A  74
THR A  65
 None
 0.74A 5n0oA-3ahmA:
undetectable		 5n0oA-3ahmA:
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.
3amj ZINC PEPTIDASE
INACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		3 ALA B  29
GLN B 229
THR B 231
 None
 0.65A 5n0oA-3amjB:
undetectable		 5n0oA-3amjB:
22.98
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.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		3 ALA A  77
GLN A 128
THR A 126
 None
 0.61A 5n0oA-3bfgA:
undetectable		 5n0oA-3bfgA:
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.
3d00 TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT E

(Syntrophus
aciditrophicus) 		PF02663
(FmdE) 		3 ALA A  51
GLN A  64
THR A  67
 None
 0.71A 5n0oA-3d00A:
undetectable		 5n0oA-3d00A:
19.40
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.
3fo5 THIOESTERASE,
ADIPOSE ASSOCIATED,
ISOFORM BFIT2

(Homo sapiens) 		PF01852
(START) 		3 ALA A 439
GLN A 540
THR A 542
 None
 0.60A 5n0oA-3fo5A:
undetectable		 5n0oA-3fo5A:
20.20
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.
3hvd PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		3 ALA A 257
GLN A 485
THR A 488
 None
 0.54A 5n0oA-3hvdA:
undetectable		 5n0oA-3hvdA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ieh PUTATIVE
METALLOPEPTIDASE

(Shewanella
baltica) 		PF04952
(AstE_AspA) 		3 ALA A 258
GLN A 250
THR A 246
 None
PGE  A 288 ( 3.5A)
None
 0.61A 5n0oA-3iehA:
undetectable		 5n0oA-3iehA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ik5 PROTEIN NEF

(Simian
immunodeficiency
virus) 		PF00469
(F-protein) 		3 ALA A 116
GLN A 157
THR A 170
 ALA  A 116 ( 0.0A)
GLN  A 157 ( 0.6A)
THR  A 170 ( 0.8A)
 0.57A 5n0oA-3ik5A:
undetectable		 5n0oA-3ik5A:
17.97
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.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		3 ALA A 250
GLN A 156
THR A 154
 None
 0.76A 5n0oA-3kvyA:
undetectable		 5n0oA-3kvyA:
21.90
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.
3l57 MOBILIZATION PROTEIN
TRAI

(Escherichia
coli) 		PF08751
(TrwC) 		3 ALA A 206
GLN A  96
THR A 104
 EDO  A 306 ( 3.8A)
None
EDO  A 305 (-4.3A)
 0.69A 5n0oA-3l57A:
undetectable		 5n0oA-3l57A:
22.52
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.
3lop SUBSTRATE BINDING
PERIPLASMIC PROTEIN

(Ralstonia
solanacearum) 		PF13458
(Peripla_BP_6) 		3 ALA A 118
GLN A  86
THR A  91
 None
 0.68A 5n0oA-3lopA:
3.6		 5n0oA-3lopA:
23.27
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.
3pgx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		3 ALA A 216
GLN A 124
THR A  52
 None
 0.73A 5n0oA-3pgxA:
1.9		 5n0oA-3pgxA:
21.76
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.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 ALA A  97
GLN A  72
THR A  77
 None
NAP  A 372 (-3.6A)
None
 0.64A 5n0oA-3pzrA:
undetectable		 5n0oA-3pzrA:
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.
3s29 SUCROSE SYNTHASE 1

(Arabidopsis
thaliana) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		3 ALA A 684
GLN A 670
THR A 691
 None
 0.69A 5n0oA-3s29A:
undetectable		 5n0oA-3s29A:
18.68
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.
3tex PROTECTIVE ANTIGEN

(Bacillus
anthracis) 		PF03495
(Binary_toxB)
PF07691
(PA14)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		3 ALA A 257
GLN A 485
THR A 488
 None
 0.53A 5n0oA-3texA:
undetectable		 5n0oA-3texA:
20.51
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.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 ALA A  97
GLN A  72
THR A  77
 None
 0.58A 5n0oA-3uw3A:
undetectable		 5n0oA-3uw3A:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		3 ALA A 375
GLN A 283
THR A 285
 None
 0.72A 5n0oA-3v7iA:
undetectable		 5n0oA-3v7iA:
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.
3vjz PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neisseria
meningitidis) 		PF14300
(DUF4375) 		3 ALA A  31
GLN A  45
THR A  49
 None
 0.57A 5n0oA-3vjzA:
undetectable		 5n0oA-3vjzA:
19.20
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.
4dlo BRAIN-SPECIFIC
ANGIOGENESIS
INHIBITOR 3

(Homo sapiens) 		PF01825
(GPS)
PF02793
(HRM)
PF16489
(GAIN) 		3 ALA A 811
GLN A 865
THR A 814
 None
 0.66A 5n0oA-4dloA:
undetectable		 5n0oA-4dloA:
21.65
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.
4en2 PROTEIN NEF

(Human
immunodeficiency
virus 1) 		PF00469
(F-protein) 		3 ALA B  84
GLN B 125
THR B 138
 None
 0.73A 5n0oA-4en2B:
undetectable		 5n0oA-4en2B:
19.14
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.
4eqb SPERMIDINE/PUTRESCIN
E ABC SUPERFAMILY
ATP BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		3 ALA A 279
GLN A  35
THR A  58
 None
 0.51A 5n0oA-4eqbA:
undetectable		 5n0oA-4eqbA:
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.
4grv NEUROTENSIN RECEPTOR
TYPE 1, LYSOZYME
CHIMERA

(Rattus
norvegicus;
Escherichia
virus T4) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		3 ALA A 166
GLN A  99
THR A 101
 None
 0.68A 5n0oA-4grvA:
undetectable		 5n0oA-4grvA:
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.
4i1f E3 UBIQUITIN-PROTEIN
LIGASE PARKIN

(Homo sapiens) 		PF01485
(IBR) 		3 ALA A 390
GLN A 276
THR A 270
 None
 0.70A 5n0oA-4i1fA:
undetectable		 5n0oA-4i1fA:
21.01
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.
4izg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Paracoccus
denitrificans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ALA A  64
GLN A  31
THR A  33
 None
IOD  A 404 ( 4.4A)
None
 0.70A 5n0oA-4izgA:
undetectable		 5n0oA-4izgA:
23.36
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.
4jxy TRANS-HEXAPRENYLTRAN
STRANSFERASE

(Pseudoalteromonas
atlantica) 		PF00348
(polyprenyl_synt) 		3 ALA A  56
GLN A  62
THR A 186
 None
 0.58A 5n0oA-4jxyA:
undetectable		 5n0oA-4jxyA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m0d N-ACETYLMURAMIC ACID
6-PHOSPHATE ETHERASE

(Haemophilus
influenzae) 		PF01380
(SIS) 		3 ALA A 259
GLN A 250
THR A 252
 None
 0.75A 5n0oA-4m0dA:
undetectable		 5n0oA-4m0dA:
23.90
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.
4m9c BACTERIAL
TRANSFERASE
HEXAPEPTIDE (THREE
REPEATS) FAMILY
PROTEIN

(Acinetobacter
baumannii) 		PF00132
(Hexapep) 		3 ALA A 130
GLN A  94
THR A 116
 None
 0.71A 5n0oA-4m9cA:
2.1		 5n0oA-4m9cA:
20.10
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.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		3 ALA A 254
GLN A 279
THR A 283
 None
 0.73A 5n0oA-4n03A:
undetectable		 5n0oA-4n03A:
23.48
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.
4nqf NUCLEOTIDYLTRANSFERA
SE

(Agrobacterium
fabrum) 		PF05168
(HEPN) 		3 ALA A 197
GLN A 275
THR A 278
 None
 0.74A 5n0oA-4nqfA:
undetectable		 5n0oA-4nqfA:
17.47
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.
4nsd CALCIUM UPTAKE
PROTEIN 1,
MITOCHONDRIAL

(Homo sapiens) 		PF13202
(EF-hand_5)
PF13833
(EF-hand_8) 		3 ALA A 380
GLN A 398
THR A 402
 None
 0.73A 5n0oA-4nsdA:
undetectable		 5n0oA-4nsdA:
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.
4q16 NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Deinococcus
radiodurans) 		PF02540
(NAD_synthase) 		3 ALA A 207
GLN A  58
THR A  61
 None
 0.67A 5n0oA-4q16A:
undetectable		 5n0oA-4q16A:
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.
4r72 ABC-TYPE FE3+
TRANSPORT SYSTEM,
PERIPLASMIC
COMPONENT

(Actinobacillus
pleuropneumoniae) 		PF13343
(SBP_bac_6) 		3 ALA A  18
GLN A 258
THR A 260
 None
 0.74A 5n0oA-4r72A:
undetectable		 5n0oA-4r72A:
25.31
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.
4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		3 ALA L  89
GLN L 237
THR L 239
 None
F3S  S2003 (-3.4A)
None
 0.64A 5n0oA-4u9iL:
undetectable		 5n0oA-4u9iL:
23.76
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.
4upe NICKEL-DEPENDENT
HYDROGENASE LARGE
SUBUNIT

(Desulfovibrio
fructosivorans) 		PF00374
(NiFeSe_Hases) 		3 ALA Q  80
GLN Q 230
THR Q 232
 None
 0.66A 5n0oA-4upeQ:
undetectable		 5n0oA-4upeQ:
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.
4woj ASPARTATE
SEMIALDEHYDE
DEHYDROGENASE

(Francisella
tularensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		3 ALA A  98
GLN A  73
THR A  78
 None
 0.67A 5n0oA-4wojA:
undetectable		 5n0oA-4wojA:
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.
5bnt ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		no annotation 3 ALA C  98
GLN C  73
THR C  78
 NAP  C 500 ( 4.0A)
NAP  C 500 (-3.2A)
None
 0.59A 5n0oA-5bntC:
undetectable		 5n0oA-5bntC:
22.99
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 3 ALA A 429
GLN A 226
THR A 229
 None
 0.72A 5n0oA-5c2vA:
undetectable		 5n0oA-5c2vA:
21.85
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.
5c3l NUP54
NUCLEOPORIN NUP58

(Xenopus laevis;
Xenopus laevis) 		PF13874
(Nup54)
PF15967
(Nucleoporin_FG2) 		3 ALA B 313
GLN A 368
THR A 372
 None
 0.76A 5n0oA-5c3lB:
undetectable		 5n0oA-5c3lB:
15.09
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.
5ce5 TRIACYLGLYCEROL
LIPASE

(Geobacillus
thermocatenulatus) 		no annotation 3 ALA A 112
GLN A 115
THR A 164
 None
 0.76A 5n0oA-5ce5A:
undetectable		 5n0oA-5ce5A:
22.51
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.
5da8 60 KDA CHAPERONIN

(Chlorobaculum
tepidum) 		PF00118
(Cpn60_TCP1) 		3 ALA A 111
GLN A 436
THR A 438
 None
 0.75A 5n0oA-5da8A:
undetectable		 5n0oA-5da8A:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dll AMINOPEPTIDASE N

(Francisella
tularensis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		3 ALA A 620
GLN A 571
THR A 574
 None
 0.66A 5n0oA-5dllA:
undetectable		 5n0oA-5dllA:
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.
5eco JASMONIC ACID-AMIDO
SYNTHETASE JAR1

(Arabidopsis
thaliana) 		PF03321
(GH3) 		3 ALA A 339
GLN A 123
THR A 127
 None
 0.75A 5n0oA-5ecoA:
undetectable		 5n0oA-5ecoA:
19.74
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.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		3 ALA A 100
GLN A  72
THR A  74
 None
 0.75A 5n0oA-5ey8A:
undetectable		 5n0oA-5ey8A:
22.87
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.
5l9w ACETOPHENONE
CARBOXYLASE ALPHA
SUBUNIT

(Aromatoleum
aromaticum) 		PF01968
(Hydantoinase_A)
PF05378
(Hydant_A_N) 		3 ALA b 569
GLN b 492
THR b 496
 None
 0.74A 5n0oA-5l9wb:
2.8		 5n0oA-5l9wb:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lsm FMN-DEPENDENT
NITRONATE
MONOOXYGENASE

(Shewanella
oneidensis) 		PF03060
(NMO) 		3 ALA A  35
GLN A  17
THR A 340
 None
 0.69A 5n0oA-5lsmA:
undetectable		 5n0oA-5lsmA:
23.06
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.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT
POTASSIUM-TRANSPORTI
NG ATPASE KDPC
SUBUNIT

(Escherichia
coli;
Escherichia
coli) 		PF03814
(KdpA)
PF02669
(KdpC) 		3 ALA A 220
GLN C  31
THR C  26
 None
 0.74A 5n0oA-5mrwA:
undetectable		 5n0oA-5mrwA:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5n0o PEPTIDE
N-METHYLTRANSFERASE

(Omphalotus
olearius) 		no annotation 3 ALA A 130
GLN A 172
THR A 245
 SAM  A 501 (-3.2A)
HSE  A 504 ( 3.3A)
SAM  A 501 (-3.6A)
 0.04A 5n0oA-5n0oA:
50.1		 5n0oA-5n0oA:
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.
5nuh PROTEIN NEF

(Simian
immunodeficiency
virus) 		PF00469
(F-protein) 		3 ALA A 116
GLN A 157
THR A 170
 None
 0.59A 5n0oA-5nuhA:
undetectable		 5n0oA-5nuhA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tu0 LMO2125 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		3 ALA A 249
GLN A 244
THR A 190
 None
 0.70A 5n0oA-5tu0A:
undetectable		 5n0oA-5tu0A:
22.25
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.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		3 ALA A  74
GLN A  62
THR A  36
 None
 0.75A 5n0oA-5u2wA:
2.1		 5n0oA-5u2wA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5g BETA-LACTAMASE

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		3 ALA A 154
GLN A 166
THR A 168
 None
NA  A 304 (-4.2A)
None
 0.67A 5n0oA-5x5gA:
undetectable		 5n0oA-5x5gA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 3 ALA A 607
GLN A 450
THR A 452
 None
 0.75A 5n0oA-5z9sA:
1.6		 5n0oA-5z9sA:
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.
6b72 PROTEIN NEF

(Human
immunodeficiency
virus 1) 		no annotation 3 ALA A  84
GLN A 125
THR A 138
 None
 0.75A 5n0oA-6b72A:
undetectable		 5n0oA-6b72A:
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.
6bac ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		no annotation 3 ALA A  98
GLN A  73
THR A  78
 EDO  A 406 ( 4.2A)
SO4  A 401 (-3.7A)
None
 0.63A 5n0oA-6bacA:
undetectable		 5n0oA-6bacA:
22.20
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.
6c8q NH(3)-DEPENDENT
NAD(+) SYNTHETASE

(Enterococcus
faecalis) 		no annotation 3 ALA A 202
GLN A  52
THR A  55
 None
 0.69A 5n0oA-6c8qA:
undetectable		 5n0oA-6c8qA:
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.
6c90 EXOSOME RNA HELICASE
MTR4,EXOSOME RNA
HELICASE MTR4

(Homo sapiens) 		no annotation 3 ALA A 974
GLN A 904
THR A 906
 None
 0.71A 5n0oA-6c90A:
1.8		 5n0oA-6c90A:
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.
6d6q EXOSOME RNA HELICASE
MTR4

(Homo sapiens) 		no annotation 3 ALA M 974
GLN M 904
THR M 906
 None
 0.47A 5n0oA-6d6qM:
1.3		 5n0oA-6d6qM:
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.
6gbg OUTER MEMBRANE
PROTEIN

(Helicobacter
pylori) 		no annotation 3 ALA A  79
GLN A 333
THR A 294
 None
 0.76A 5n0oA-6gbgA:
undetectable		 5n0oA-6gbgA:
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.
6gbh HOPQ

(Helicobacter
pylori) 		no annotation 3 ALA C  83
GLN C 330
THR C 292
 None
 0.70A 5n0oA-6gbhC:
undetectable		 5n0oA-6gbhC:
undetectable