SIMILAR PATTERNS OF AMINO ACIDS FOR 3AOB_C_RFPC2002

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.
1air PECTATE LYASE C

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 THR A 297
ARG A 218
ASN A 243
GLY A 241
LEU A 221
 None
SO4  A1002 ( 3.2A)
None
None
SO4  A1003 (-4.6A)
 1.38A 3aobC-1airA:
undetectable		 3aobC-1airA:
16.48
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.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 MET A1451
ALA A1428
PHE A1466
ARG A1421
GLY A1401
 None
 1.10A 3aobC-1e6yA:
3.9		 3aobC-1e6yA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ff9 SACCHAROPINE
REDUCTASE

(Magnaporthe
grisea) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 ALA A 187
THR A 206
PHE A 251
ASN A 223
GLY A 244
 None
 1.42A 3aobC-1ff9A:
0.0		 3aobC-1ff9A:
18.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		5 PHE A 914
ALA A 963
THR A 209
GLY A1026
LEU A 982
 None
 1.20A 3aobC-1k32A:
2.6		 3aobC-1k32A:
21.35
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.
1kwg BETA-GALACTOSIDASE

(Thermus
thermophilus) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		5 PHE A 252
ALA A 253
PHE A 246
ARG A 149
ARG A 219
 None
 0.92A 3aobC-1kwgA:
0.0		 3aobC-1kwgA:
20.31
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 PHE A 269
ARG B 329
ASN B 323
ARG B 318
LEU B 325
 None
 1.37A 3aobC-1wytA:
0.0		 3aobC-1wytA:
18.47
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		5 PHE A 323
ALA A 324
PHE A 281
GLY A 287
LEU A 514
 None
 0.94A 3aobC-1xrsA:
0.0		 3aobC-1xrsA:
18.90
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.
1yd7 2-KETO
ACID:FERREDOXIN
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF01855
(POR_N) 		5 GLN A  16
PHE A 156
ALA A 155
PHE A  14
GLY A 182
 UNX  A 390 (-4.4A)
None
None
None
None
 1.50A 3aobC-1yd7A:
undetectable		 3aobC-1yd7A:
17.85
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.
2bl0 MYOSIN REGULATORY
LIGHT CHAIN

(Physarum
polycephalum) 		PF13833
(EF-hand_8) 		5 GLN C 142
PHE C 100
ALA C 112
GLY C 141
LEU C 133
 None
 1.44A 3aobC-2bl0C:
undetectable		 3aobC-2bl0C:
9.34
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.
2i9u CYTOSINE/GUANINE
DEAMINASE RELATED
PROTEIN

(Clostridium
acetobutylicum) 		PF01979
(Amidohydro_1) 		5 THR A  20
PHE A 383
ARG A 129
ASN A  70
GLY A 367
 None
 1.44A 3aobC-2i9uA:
undetectable		 3aobC-2i9uA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j13 POLYSACCHARIDE
DEACETYLASE

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		5 GLN A 135
THR A 133
ASN A 102
GLY A 101
LEU A 122
 None
 1.41A 3aobC-2j13A:
undetectable		 3aobC-2j13A:
12.29
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.
2mu3 ACINIFORM SPIDROIN 1

(Argiope
trifasciata) 		PF12042
(RP1-2) 		5 PHE A  95
PHE A  90
ASN A 104
GLY A 109
LEU A  17
 None
 1.26A 3aobC-2mu3A:
undetectable		 3aobC-2mu3A:
11.59
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.
2o7a LYSOZYME

(Escherichia
virus T4) 		PF00959
(Phage_lysozyme) 		5 MET A 102
PHE A 114
ALA A 112
PHE A 153
GLY A  77
 None
 1.44A 3aobC-2o7aA:
undetectable		 3aobC-2o7aA:
8.65
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.
2qb0 TELSAM DOMAIN -
LYSOZYME CHIMERA

(Escherichia
virus T4) 		PF00959
(Phage_lysozyme)
PF02198
(SAM_PNT) 		5 MET B 195
PHE B 207
ALA B 205
PHE B 246
GLY B 170
 None
 1.46A 3aobC-2qb0B:
undetectable		 3aobC-2qb0B:
13.72
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.
2ra9 UNCHARACTERIZED
PROTEIN DUF1285

(Shewanella
baltica) 		PF06938
(DUF1285) 		5 PHE A  57
ALA A  54
THR A  43
GLY A  40
LEU A 133
 None
 1.44A 3aobC-2ra9A:
undetectable		 3aobC-2ra9A:
9.35
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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT
MYOSIN LIGHT CHAIN
3, SKELETAL MUSCLE
ISOFORM

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N)
no annotation 		5 MET C 147
PHE C  87
ALA M 729
PHE M 797
ARG M 725
 None
 1.39A 3aobC-2w4gC:
undetectable		 3aobC-2w4gC:
9.25
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.
2x64 GLUTATHIONE-S-TRANSF
ERASE

(Xylella
fastidiosa) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 MET A 189
ALA A  13
PHE A 186
PHE A 185
GLY A   8
 None
 1.10A 3aobC-2x64A:
undetectable		 3aobC-2x64A:
12.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjn DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE
GLYCOSYLTRANSFERASE

(Saccharopolyspora
erythraea) 		PF00067
(p450)
PF06722
(DUF1205) 		5 MET B  35
THR A 117
PHE A  82
ARG B  77
GLY B  44
 None
 1.44A 3aobC-2yjnB:
undetectable		 3aobC-2yjnB:
17.19
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.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 MET A 182
PHE A 241
ASN A 439
GLY A 440
LEU A 405
 None
 1.39A 3aobC-2zwsA:
undetectable		 3aobC-2zwsA:
21.57
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.
3abb CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 ALA A 243
THR A 248
PHE A 172
GLY A 355
LEU A 214
 HEM  A1430 (-3.5A)
HEM  A1430 (-3.8A)
None
HEM  A1430 (-3.5A)
None
 1.40A 3aobC-3abbA:
undetectable		 3aobC-3abbA:
18.22
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 PHE A 224
ALA A 227
THR A 207
PHE A 348
ARG A 230
 None
 1.35A 3aobC-3bt7A:
1.8		 3aobC-3bt7A:
18.03
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.
3cgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 PHE A 470
ALA A 468
PHE A  78
ASN A 464
LEU A  70
 None
 1.34A 3aobC-3cghA:
undetectable		 3aobC-3cghA:
20.19
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.
3d8u PURR TRANSCRIPTIONAL
REGULATOR

(Vibrio
parahaemolyticus) 		PF13377
(Peripla_BP_3) 		5 GLN A 185
ALA A 251
THR A 339
GLY A 186
LEU A 218
 None
 1.47A 3aobC-3d8uA:
undetectable		 3aobC-3d8uA:
15.13
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.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 GLN A 369
PHE A 341
ALA A 345
GLY A 372
LEU A 398
 None
 1.28A 3aobC-3dqqA:
undetectable		 3aobC-3dqqA:
18.36
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 GLN A 626
PHE A 693
ASN A 633
GLY A 630
LEU A 637
 None
None
PO4  A   3 ( 4.9A)
None
None
 1.35A 3aobC-3f2bA:
undetectable		 3aobC-3f2bA:
23.10
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.
3f81 DUAL SPECIFICITY
PROTEIN PHOSPHATASE
3

(Homo sapiens) 		PF00782
(DSPc) 		5 PHE A  77
ARG A 125
ASN A  41
GLY A 127
ARG A 158
 None
None
None
STT  A   1 ( 4.5A)
None
 1.25A 3aobC-3f81A:
undetectable		 3aobC-3f81A:
11.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		5 ALA A  54
THR A 230
PHE A 263
GLY A  51
LEU A  38
 MG  A 357 ( 4.2A)
None
None
None
None
 1.17A 3aobC-3fdgA:
undetectable		 3aobC-3fdgA:
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.
3fgt PUTATIVE
PHOSPHOLIPASE B-LIKE
2 40 KDA FORM

(Mus musculus) 		PF04916
(Phospholip_B) 		5 PHE B 391
ALA B 390
THR B 419
GLY B 364
ARG B 401
 None
 1.18A 3aobC-3fgtB:
undetectable		 3aobC-3fgtB:
16.54
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.
3fww BIFUNCTIONAL PROTEIN
GLMU

(Yersinia pestis) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 MET A  86
GLN A  76
ALA A  12
PHE A  93
GLY A  56
 None
 1.43A 3aobC-3fwwA:
undetectable		 3aobC-3fwwA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kcu PROBABLE FORMATE
TRANSPORTER 1

(Escherichia
coli) 		PF01226
(Form_Nir_trans) 		5 PHE A 128
ALA A 125
ASN A 121
GLY A 120
LEU A  89
 None
 1.00A 3aobC-3kcuA:
1.9		 3aobC-3kcuA:
13.92
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.
3kcu PROBABLE FORMATE
TRANSPORTER 1

(Escherichia
coli) 		PF01226
(Form_Nir_trans) 		5 PHE A 215
ALA A 125
ASN A 121
GLY A 120
LEU A  89
 None
 1.41A 3aobC-3kcuA:
1.9		 3aobC-3kcuA:
13.92
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.
3pe5 UNCHARACTERIZED
PROTEIN

([Clostridium]
leptum) 		PF03816
(LytR_cpsA_psr) 		5 GLN A 264
THR A 261
PHE A 267
GLY A 115
LEU A 272
 None
 1.50A 3aobC-3pe5A:
undetectable		 3aobC-3pe5A:
17.89
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.
3qan 1-PYRROLINE-5-CARBOX
YLATE DEHYDROGENASE
1

(Bacillus
halodurans) 		PF00171
(Aldedh) 		5 MET A 385
PHE A 424
ALA A 423
THR A 401
GLY A 378
 None
 1.34A 3aobC-3qanA:
undetectable		 3aobC-3qanA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT

(Bacillus cereus) 		PF02378
(PTS_EIIC) 		5 PHE A 365
ALA A 366
THR A 283
ASN A 407
LEU A 410
 None
 1.44A 3aobC-3qnqA:
undetectable		 3aobC-3qnqA:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rg2 ENTEROBACTIN
SYNTHASE COMPONENT E
(ENTE),
2,3-DIHYDRO-2,3-DIHY
DROXYBENZOATE
SYNTHETASE,
ISOCHROISMATASE
(ENTB)

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF13193
(AMP-binding_C) 		5 GLN A  68
ALA A 122
ARG A  66
GLY A  69
ARG A 150
 None
 1.14A 3aobC-3rg2A:
undetectable		 3aobC-3rg2A:
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.
3rht (GATASE1)-LIKE
PROTEIN

(Planctopirus
limnophila) 		PF07090
(GATase1_like) 		5 GLN A 161
PHE A 204
ALA A 203
THR A 162
GLY A 194
 None
 1.40A 3aobC-3rhtA:
undetectable		 3aobC-3rhtA:
14.68
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.
3rku OXIDOREDUCTASE
YMR226C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		5 ALA A  28
PHE A 205
ASN A 102
GLY A  20
LEU A 153
 None
NAP  A 268 (-4.0A)
NAP  A 268 (-3.3A)
NAP  A 268 (-3.3A)
NAP  A 268 ( 4.1A)
 1.20A 3aobC-3rkuA:
undetectable		 3aobC-3rkuA:
14.14
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.
3s47 MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Clostridium
beijerinckii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLN A 250
PHE A 220
ALA A 217
THR A 251
ASN A 215
 None
 1.31A 3aobC-3s47A:
undetectable		 3aobC-3s47A:
16.48
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.
3syj ADHESION AND
PENETRATION PROTEIN
AUTOTRANSPORTER

(Haemophilus
influenzae) 		PF02395
(Peptidase_S6)
PF03212
(Pertactin) 		5 PHE A 185
ARG A 178
ASN A 274
GLY A 222
LEU A 263
 None
 1.38A 3aobC-3syjA:
undetectable		 3aobC-3syjA:
22.12
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.
3t6q CD180 ANTIGEN

(Mus musculus) 		PF13855
(LRR_8) 		5 MET A 116
PHE A  97
THR A 119
PHE A 132
LEU A 151
 None
 1.48A 3aobC-3t6qA:
undetectable		 3aobC-3t6qA:
20.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 ALA A 618
PHE A 666
ARG A 717
ASN A 719
GLY A 720
 None
 1.44A 3aobC-3w9hA:
58.5		 3aobC-3w9hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 ALA A 618
PHE A 666
ARG A 717
ASN A 719
LEU A 828
 None
 1.11A 3aobC-3w9hA:
58.5		 3aobC-3w9hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 THR A 624
PHE A 666
ARG A 717
ASN A 719
LEU A 828
 None
 0.75A 3aobC-3w9hA:
58.5		 3aobC-3w9hA:
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.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		5 MET A 385
GLN A 387
ALA A  82
ARG A 244
GLY A  76
 None
 1.32A 3aobC-3wbnA:
undetectable		 3aobC-3wbnA:
20.19
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.
4aut DECAPRENYL-PHOSPHORY
L-BETA-D-RIBOFURANOS
E-2-OXIDOREDUCTASE

(Mycolicibacterium
smegmatis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 GLN A  72
PHE A 457
ALA A 458
GLY A  74
ARG A 463
 None
 1.45A 3aobC-4autA:
3.4		 3aobC-4autA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bps FKBO

(Streptomyces
hygroscopicus) 		no annotation 5 PHE A 158
ALA A 112
THR A 105
ASN A 148
GLY A 109
 None
 1.47A 3aobC-4bpsA:
undetectable		 3aobC-4bpsA:
16.13
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.
4csi CELLULASE

(Humicola grisea) 		PF00840
(Glyco_hydro_7) 		5 ALA A  30
THR A  27
PHE A 128
GLY A  88
LEU A  91
 None
 1.37A 3aobC-4csiA:
undetectable		 3aobC-4csiA:
17.79
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.
4dkl MU-TYPE OPIOID
RECEPTOR, LYSOZYME
CHIMERA

(Escherichia
virus T4;
Mus musculus) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 MET A1102
PHE A1114
ALA A1112
PHE A1153
GLY A1077
 None
 1.49A 3aobC-4dklA:
undetectable		 3aobC-4dklA:
18.31
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.
4f4o HAPTOGLOBIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 PHE C 318
THR C 291
ASN C 144
GLY C 129
LEU C 147
 None
 1.28A 3aobC-4f4oC:
undetectable		 3aobC-4f4oC:
16.73
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.
4gic HISTIDINOL
DEHYDROGENASE

(Methylococcus
capsulatus) 		PF00815
(Histidinol_dh) 		5 PHE A 190
ALA A 165
THR A  57
GLY A 138
LEU A 178
 None
 1.41A 3aobC-4gicA:
undetectable		 3aobC-4gicA:
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.
4gvf BETA-HEXOSAMINIDASE

(Salmonella
enterica) 		PF00933
(Glyco_hydro_3) 		5 GLN A  69
PHE A 117
ALA A 118
ARG A  67
GLY A  65
 None
NDG  A 401 ( 4.7A)
None
None
None
 1.20A 3aobC-4gvfA:
undetectable		 3aobC-4gvfA:
16.46
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.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE ALPHA CHAIN
GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE BETA CHAIN

(Pseudomonas) 		PF01804
(Penicil_amidase) 		5 MET A 158
THR A  71
GLY B  30
ARG A  64
LEU B  47
 None
 1.47A 3aobC-4hstA:
undetectable		 3aobC-4hstA:
13.58
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.
4iob DIGUANYLATE CYCLASE
TPBB

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF) 		5 PHE A 285
ALA A 396
THR A 373
ARG A 409
LEU A 378
 None
 1.49A 3aobC-4iobA:
3.9		 3aobC-4iobA:
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.
4ivi CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		5 MET A 271
ALA A  63
THR A  59
ARG A  97
GLY A 386
 None
 1.44A 3aobC-4iviA:
undetectable		 3aobC-4iviA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jgv NUCLEAR RECEPTOR
SUBFAMILY 4 GROUP A
MEMBER 1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 443
ALA A 442
THR A 595
ARG A 515
LEU A 562
 None
 1.08A 3aobC-4jgvA:
undetectable		 3aobC-4jgvA:
13.34
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.
4n13 PHOSPHATE ABC
TRANSPORTER,
PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Borreliella
burgdorferi) 		PF12849
(PBP_like_2) 		5 PHE A  87
THR A 173
PHE A 156
ASN A 166
GLY A 167
 None
None
None
SO4  A 301 (-3.6A)
None
 1.23A 3aobC-4n13A:
undetectable		 3aobC-4n13A:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nf8 GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 1

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 PHE A  16
ALA A 123
THR A 126
GLY A 253
LEU A  74
 None
None
GLY  A1001 (-3.9A)
None
None
 1.42A 3aobC-4nf8A:
undetectable		 3aobC-4nf8A:
16.02
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.
4pj3 INTRON-BINDING
PROTEIN AQUARIUS

(Homo sapiens) 		PF13086
(AAA_11)
PF13087
(AAA_12)
PF16399
(Aquarius_N) 		5 GLN A 916
PHE A 936
ALA A 932
PHE A 970
ARG A 914
 None
 1.20A 3aobC-4pj3A:
undetectable		 3aobC-4pj3A:
22.05
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.
4rae HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00155
(Aminotran_1_2) 		5 THR A 297
PHE A 316
ASN A 355
ARG A 294
LEU A  36
 None
 1.27A 3aobC-4raeA:
2.0		 3aobC-4raeA:
17.03
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.
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 GLN A2774
ALA A2701
PHE A2765
GLY A2648
LEU A2729
 None
 1.47A 3aobC-4rh7A:
undetectable		 3aobC-4rh7A:
15.75
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.
4tz0 ATP-DEPENDENT RNA
HELICASE MSS116,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 GLN A 134
PHE A 160
ALA A 161
THR A 130
LEU A 141
 None
GDP  A 601 (-4.1A)
None
GDP  A 601 (-3.6A)
None
 1.18A 3aobC-4tz0A:
undetectable		 3aobC-4tz0A:
19.42
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.
4u1r ATP-DEPENDENT
6-PHOSPHOFRUCTOKINAS
E, PLATELET TYPE

(Homo sapiens) 		PF00365
(PFK) 		5 PHE A 317
ALA A 316
PHE A 548
GLY A 595
LEU A 590
 None
 1.35A 3aobC-4u1rA:
undetectable		 3aobC-4u1rA:
23.80
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.
4wjg HAPTOGLOBIN

(Homo sapiens) 		no annotation 5 PHE C 373
THR C 346
ASN C 199
GLY C 184
LEU C 202
 None
 1.20A 3aobC-4wjgC:
undetectable		 3aobC-4wjgC:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x0l HAPTOGLOBIN

(Homo sapiens) 		PF00089
(Trypsin) 		5 PHE C 377
THR C 350
ASN C 203
GLY C 188
LEU C 206
 None
 1.25A 3aobC-4x0lC:
undetectable		 3aobC-4x0lC:
12.64
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.
4xfk PUTATIVE BRANCHED
CHAIN AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Brucella ovis) 		PF13458
(Peripla_BP_6) 		5 GLN A 110
ALA A 117
PHE A 378
ASN A 115
GLY A 112
 None
 1.34A 3aobC-4xfkA:
undetectable		 3aobC-4xfkA:
17.55
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.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 ALA A 179
THR A 102
GLY A 476
ARG A 528
LEU A 424
 None
 1.43A 3aobC-5e84A:
2.9		 3aobC-5e84A:
19.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		7 ALA A 618
THR A 624
PHE A 666
ARG A 717
ASN A 719
GLY A 720
LEU A 828
 None
 1.15A 3aobC-5enoA:
47.9		 3aobC-5enoA:
73.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i14 MUTATED AND
TRUNCATED T4
LYSOZYME

(Escherichia
virus T4) 		PF00959
(Phage_lysozyme) 		5 MET A  59
PHE A  71
ALA A  69
PHE A 110
GLY A  34
 None
 1.46A 3aobC-5i14A:
undetectable		 3aobC-5i14A:
8.88
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.
5iml NANOBODY

(Camelidae) 		PF07686
(V-set) 		5 THR B  57
PHE B  36
GLY B  32
ARG B  71
LEU B   3
 None
 1.48A 3aobC-5imlB:
1.5		 3aobC-5imlB:
8.58
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		5 GLN A 659
THR A 655
PHE A 610
ASN A 719
GLY A 660
 None
 1.42A 3aobC-5m60A:
undetectable		 3aobC-5m60A:
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.
5m9n TUDOR
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00567
(TUDOR) 		5 GLN A 512
PHE A 509
ALA A 500
GLY A 497
LEU A 651
 None
EDO  A 702 ( 4.7A)
None
None
None
 1.19A 3aobC-5m9nA:
undetectable		 3aobC-5m9nA:
12.85
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.
5tro PENICILLIN-BINDING
PROTEIN 1

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 MET A 373
GLN A 377
PHE A 330
ALA A 329
GLY A 381
 None
 1.50A 3aobC-5troA:
undetectable		 3aobC-5troA:
20.21
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.
5wab PUTATIVE
BETA-GLUCOSIDASE

(Bifidobacterium
adolescentis) 		no annotation 5 PHE A 379
ASN A 450
GLY A 451
ARG A 421
LEU A 448
 None
 1.46A 3aobC-5wabA:
undetectable		 3aobC-5wabA:
7.81
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.
5wve APOPTOTIC
PROTEASE-ACTIVATING
FACTOR 1

(Homo sapiens) 		PF00400
(WD40)
PF00931
(NB-ARC) 		5 GLN A 565
PHE A 560
THR A1212
GLY A 567
LEU A 507
 None
 1.47A 3aobC-5wveA:
undetectable		 3aobC-5wveA:
21.53
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		5 PHE A 126
ALA A 127
ASN A 290
GLY A 293
LEU A 286
 ACO  A 801 (-3.6A)
None
None
None
None
 1.23A 3aobC-6axeA:
undetectable		 3aobC-6axeA:
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 ALA B 468
THR B 101
PHE B 105
PHE B 585
GLY B 472
 None
 1.32A 3aobC-6f0kB:
undetectable		 3aobC-6f0kB:
8.19