SIMILAR PATTERNS OF AMINO ACIDS FOR 6J20_A_GBQA1201_0

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.
1aj8 CITRATE SYNTHASE

(Pyrococcus
furiosus) 		PF00285
(Citrate_synt) 		5 PRO A 357
ILE A 190
TYR A 348
THR A 203
ILE A 354
 None
 1.18A 6j20A-1aj8A:
0.0		 6j20A-1aj8A:
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.
1f5m GAF

(Saccharomyces
cerevisiae) 		PF13185
(GAF_2) 		5 ASN A  65
VAL A 100
ILE A  53
THR A 110
PHE A 158
 None
 1.46A 6j20A-1f5mA:
0.8		 6j20A-1f5mA:
15.44
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.
1fuu YEAST INITIATION
FACTOR 4A

(Saccharomyces
cerevisiae) 		PF00270
(DEAD) 		5 PRO A 146
VAL A 149
ILE A 153
PHE A 166
PHE A 187
 None
 1.01A 6j20A-1fuuA:
0.0		 6j20A-1fuuA:
22.90
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.
1kgp RIBONUCLEOTIDE
REDUCTASE PROTEIN
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 VAL A  69
THR A 247
ILE A 250
PHE A 263
MET A 180
 None
 1.12A 6j20A-1kgpA:
1.2		 6j20A-1kgpA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ko6 NUCLEAR PORE COMPLEX
PROTEIN NUP98

(Homo sapiens) 		PF04096
(Nucleoporin2) 		5 ASN A 765
VAL A 775
ILE A 744
THR A 749
ILE A 750
 None
 1.45A 6j20A-1ko6A:
undetectable		 6j20A-1ko6A:
17.69
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.
1ndf CARNITINE
ACETYLTRANSFERASE

(Mus musculus) 		PF00755
(Carn_acyltransf) 		5 VAL A 216
TYR A 361
ILE A 229
PHE A 284
PHE A 329
 None
 1.43A 6j20A-1ndfA:
0.4		 6j20A-1ndfA:
20.98
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.
1pek PROTEINASE K

(Parengyodontium
album) 		PF00082
(Peptidase_S8) 		5 ASN E 263
ASN E 163
TYR E 169
THR E 179
PHE E 202
 None
 1.44A 6j20A-1pekE:
0.0		 6j20A-1pekE:
20.54
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.
1xp3 ENDONUCLEASE IV

(Bacillus
anthracis) 		PF01261
(AP_endonuc_2) 		5 ASN A 217
PRO A 262
VAL A 264
ILE A 216
ILE A 295
 None
 1.23A 6j20A-1xp3A:
0.0		 6j20A-1xp3A:
19.51
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.
2apn PROTEIN HI1723

(Haemophilus
influenzae) 		PF01521
(Fe-S_biosyn) 		5 ASN A  98
THR A  38
ILE A  37
PHE A  49
PHE A  95
 None
 1.26A 6j20A-2apnA:
undetectable		 6j20A-2apnA:
11.90
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 VAL A 462
ILE A 753
PHE A 484
HIS A 486
MET A 496
 None
 1.27A 6j20A-2cn3A:
undetectable		 6j20A-2cn3A:
21.04
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.
2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 ASN A 245
PRO A 173
VAL A 177
THR A 234
ILE A 149
 None
 1.43A 6j20A-2d7iA:
undetectable		 6j20A-2d7iA:
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.
2drh 361AA LONG
HYPOTHETICAL
D-AMINOPEPTIDASE

(Pyrococcus
horikoshii) 		PF03576
(Peptidase_S58) 		5 ASN A  19
ILE A 244
THR A  53
PHE A 165
HIS A  31
 None
 1.30A 6j20A-2drhA:
undetectable		 6j20A-2drhA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fnc MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		5 ASN A 188
VAL A 360
ILE A 371
ILE A 353
PHE A 157
 None
 1.46A 6j20A-2fncA:
undetectable		 6j20A-2fncA:
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.
2gux GRIFFITHSIN

(Griffithsia) 		PF01419
(Jacalin) 		5 VAL A 100
ILE A  33
ILE A 116
PHE A  74
PHE A  82
 None
 1.37A 6j20A-2guxA:
undetectable		 6j20A-2guxA:
14.44
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.
2h98 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR CATM

(Acinetobacter
sp. ADP1) 		PF03466
(LysR_substrate) 		5 PRO A 106
ILE A 285
THR A 295
HIS A 296
PHE A 293
 None
 1.49A 6j20A-2h98A:
undetectable		 6j20A-2h98A:
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.
2i80 D-ALANINE-D-ALANINE
LIGASE

(Staphylococcus
aureus) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 ASN A 180
PRO A 178
VAL A 176
ILE A 212
PHE A 204
 None
 1.36A 6j20A-2i80A:
undetectable		 6j20A-2i80A:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ksb SUBSTANCE-P RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		5 TYR A 196
THR A 201
ILE A 204
HIS A 265
MET A 295
 None
 0.90A 6j20A-2ksbA:
26.3		 6j20A-2ksbA:
74.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ksb SUBSTANCE-P RECEPTOR

(Homo sapiens) 		PF00001
(7tm_1) 		5 VAL A 116
TYR A 196
THR A 201
PHE A 264
HIS A 265
 None
 0.96A 6j20A-2ksbA:
26.3		 6j20A-2ksbA:
74.38
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.
2nnf SULFUR
COVALENTLY-BINDING
PROTEIN

(Chlorobium
limicola) 		PF13501
(SoxY) 		5 ASN A  58
VAL A  49
ILE A  25
ILE A  33
PHE A  62
 None
 1.06A 6j20A-2nnfA:
undetectable		 6j20A-2nnfA:
14.12
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.
2oz4 INTERCELLULAR
ADHESION MOLECULE 1
FAB FRAGMENT, HEAVY
CHAIN

(Homo sapiens;
Mus musculus) 		no annotation
PF07654
(C1-set)
PF07686
(V-set) 		5 ASN A 397
PRO A 400
THR H  53
ILE H  54
PHE H  32
 None
 1.28A 6j20A-2oz4A:
undetectable		 6j20A-2oz4A:
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		5 ASN A 309
VAL A 215
ILE A 235
ILE A 213
PHE A 264
 None
 1.02A 6j20A-2qzwA:
undetectable		 6j20A-2qzwA:
21.30
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.
2x3h K5 LYASE

(Escherichia
virus K1-5) 		no annotation 5 ILE A 392
THR A 314
ILE A 315
PHE A 318
PHE A 341
 None
 1.32A 6j20A-2x3hA:
undetectable		 6j20A-2x3hA:
21.31
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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		5 ASN A 216
PRO A 261
VAL A 263
ILE A 215
ILE A 294
 CAC  A 300 ( 4.8A)
None
None
None
None
 1.31A 6j20A-3aalA:
undetectable		 6j20A-3aalA:
20.49
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.
3cia COLD-ACTIVE
AMINOPEPTIDASE

(Colwellia
psychrerythraea) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 ASN A 346
ASN A 333
TYR A 280
ILE A 357
PHE A 437
 None
 1.49A 6j20A-3ciaA:
0.0		 6j20A-3ciaA:
21.21
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.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens) 		PF01522
(Polysacc_deac_1) 		5 TYR A 211
THR A  98
ILE A  99
PHE A  90
PHE A  31
 None
 1.27A 6j20A-3cl6A:
undetectable		 6j20A-3cl6A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwl ACTIN-RELATED
PROTEIN 3

(Schizosaccharomyces
pombe) 		PF00022
(Actin) 		5 PRO A 308
VAL A 311
ILE A 292
THR A 208
ILE A 193
 None
 1.37A 6j20A-3dwlA:
undetectable		 6j20A-3dwlA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fay RAS
GTPASE-ACTIVATING-LI
KE PROTEIN IQGAP1

(Homo sapiens) 		PF00616
(RasGAP) 		5 ASN A1197
ILE A1200
ILE A1156
PHE A1266
PHE A1262
 None
 1.41A 6j20A-3fayA:
undetectable		 6j20A-3fayA:
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.
3g0t PUTATIVE
AMINOTRANSFERASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		5 ASN A 143
ILE A 151
ILE A 218
PHE A 137
PHE A 156
 None
 1.19A 6j20A-3g0tA:
undetectable		 6j20A-3g0tA:
21.06
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.
3jyy LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE

(Enterococcus
faecium) 		no annotation 5 ILE A  81
TYR A  71
THR A  77
HIS A  91
PHE A  90
 None
 1.49A 6j20A-3jyyA:
undetectable		 6j20A-3jyyA:
19.73
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		5 ASN A 221
ILE A 487
TYR A 450
THR A 253
PHE A 284
 POP  A 802 (-3.3A)
ME8  A 801 (-4.0A)
ME8  A 801 (-4.7A)
None
None
 1.46A 6j20A-3kflA:
undetectable		 6j20A-3kflA:
20.58
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.
3ll1 GRIFFITHSIN

(Griffithsia sp.
Q66D336) 		PF01419
(Jacalin) 		5 VAL A 100
ILE A  33
ILE A 116
PHE A  74
PHE A  82
 None
 1.39A 6j20A-3ll1A:
undetectable		 6j20A-3ll1A:
14.21
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.
3m0o MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
B-0618) 		PF01266
(DAO) 		5 PRO A 257
VAL A 146
ILE A 130
ILE A  50
PHE A 140
 None
None
None
FAD  A 400 (-4.0A)
None
 1.27A 6j20A-3m0oA:
undetectable		 6j20A-3m0oA:
20.74
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 PRO B 131
VAL B 133
THR B 101
ILE B  93
PHE B 121
 None
 1.35A 6j20A-3m2rB:
undetectable		 6j20A-3m2rB:
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.
3mjo RIBONUCLEOTIDE
REDUCTASE SUBUNIT
R2F

(Corynebacterium
ammoniagenes) 		PF00268
(Ribonuc_red_sm) 		5 VAL A  69
THR A 247
ILE A 250
PHE A 263
MET A 180
 None
 1.39A 6j20A-3mjoA:
0.9		 6j20A-3mjoA:
19.91
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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 VAL A1337
ILE A1310
TYR A1326
THR A1340
PHE A1304
 None
 1.34A 6j20A-3mmpA:
undetectable		 6j20A-3mmpA:
19.10
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.
3mwg IRON-REGULATED ABC
TRANSPORTER
SIDEROPHORE-BINDING
PROTEIN SIRA

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		5 ASN A 126
PRO A 106
ILE A 136
THR A  97
ILE A  99
 None
 1.20A 6j20A-3mwgA:
undetectable		 6j20A-3mwgA:
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.
3ng0 GLUTAMINE SYNTHETASE

(Synechocystis
sp. PCC 6803) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		5 ILE A  57
TYR A 103
THR A 109
ILE A 110
MET A 239
 None
 1.49A 6j20A-3ng0A:
0.1		 6j20A-3ng0A:
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.
3qwy CELL DEATH
ABNORMALITY PROTEIN
2

(Caenorhabditis
elegans) 		PF00017
(SH2)
PF00018
(SH3_1) 		5 ASN A 169
VAL A 121
ILE A 145
PHE A 137
PHE A 127
 None
 1.49A 6j20A-3qwyA:
undetectable		 6j20A-3qwyA:
20.13
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.
3qye TBC1 DOMAIN FAMILY
MEMBER 1

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		5 ILE A1050
THR A1041
ILE A1042
PHE A 974
MET A 973
 None
 1.33A 6j20A-3qyeA:
undetectable		 6j20A-3qyeA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqo CYSTEINYL-TRNA
SYNTHETASE

(Coxiella
burnetii) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 VAL A  65
ILE A 208
ILE A 217
PHE A 222
PHE A 251
 None
 1.40A 6j20A-3tqoA:
undetectable		 6j20A-3tqoA:
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.
3v44 TOLL-LIKE RECEPTOR
5B AND VARIABLE
LYMPHOCYTE RECEPTOR
B.61 CHIMERIC
PROTEIN

(Eptatretus
burgeri;
Danio rerio) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 ASN A 239
ILE A 161
THR A 256
ILE A 258
PHE A 249
 None
 1.31A 6j20A-3v44A:
undetectable		 6j20A-3v44A:
23.17
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.
3v44 TOLL-LIKE RECEPTOR
5B AND VARIABLE
LYMPHOCYTE RECEPTOR
B.61 CHIMERIC
PROTEIN

(Eptatretus
burgeri;
Danio rerio) 		PF11921
(DUF3439)
PF13855
(LRR_8) 		5 ILE A 161
THR A 256
ILE A 258
PHE A 249
MET A 245
 None
 1.31A 6j20A-3v44A:
undetectable		 6j20A-3v44A:
23.17
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.
4aq4 SN-GLYCEROL-3-PHOSPH
ATE-BINDING
PERIPLASMIC PROTEIN
UGPB

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 ASN A  45
PRO A  59
ILE A  78
TYR A 298
ILE A   4
 None
 1.24A 6j20A-4aq4A:
undetectable		 6j20A-4aq4A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cvu BETA-MANNOSIDASE

(Trichoderma
harzianum) 		PF00703
(Glyco_hydro_2) 		5 ASN A 626
VAL A 610
ILE A 598
THR A 605
PHE A 668
 None
 1.39A 6j20A-4cvuA:
undetectable		 6j20A-4cvuA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		5 PRO A 185
VAL A 169
ILE A 224
TYR A 234
ILE A 191
 None
 1.36A 6j20A-4ddqA:
undetectable		 6j20A-4ddqA:
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.
4hwv PECTATE LYASE/AMB
ALLERGEN

(Acidovorax
citrulli) 		PF00544
(Pec_lyase_C) 		5 ASN A 309
VAL A 251
ILE A  32
THR A 181
ILE A 209
 None
 1.46A 6j20A-4hwvA:
undetectable		 6j20A-4hwvA:
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.
4m7s BTRN

(Bacillus
circulans) 		PF13186
(SPASM) 		5 VAL A 184
TYR A  41
ILE A 200
PHE A   5
PHE A  53
 None
 1.45A 6j20A-4m7sA:
undetectable		 6j20A-4m7sA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4or2 SOLUBLE CYTOCHROME
B562, METABOTROPIC
GLUTAMATE RECEPTOR 1

(Escherichia
coli;
Homo sapiens) 		PF00003
(7tm_3)
PF07361
(Cytochrom_B562) 		5 VAL A 622
ILE A 787
ILE A 837
PHE A 614
PHE A 831
 None
 1.29A 6j20A-4or2A:
17.3		 6j20A-4or2A:
21.67
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.
4pfb C4-DICARBOXYLATE-BIN
DING PROTEIN

(Fusobacterium
nucleatum) 		PF03480
(DctP) 		5 PRO A 170
ILE A  70
THR A 216
PHE A 145
PHE A  33
 G3P  A 407 (-4.2A)
None
G3P  A 407 ( 4.5A)
None
G3P  A 407 (-4.4A)
 1.49A 6j20A-4pfbA:
undetectable		 6j20A-4pfbA:
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.
4pz0 SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Bacillus
anthracis) 		PF13407
(Peripla_BP_4) 		5 ASN A 144
VAL A 336
ILE A 182
THR A 249
PHE A 251
 None
EDO  A 403 ( 4.8A)
None
None
None
 1.48A 6j20A-4pz0A:
undetectable		 6j20A-4pz0A:
21.04
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.
4qsl PYRUVATE CARBOXYLASE

(Listeria
monocytogenes) 		no annotation 5 ASN H 798
PRO H 568
VAL H 606
ILE H 801
ILE H 603
 None
 1.47A 6j20A-4qslH:
undetectable		 6j20A-4qslH:
17.80
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.
4u90 GEPHYRIN

(Rattus
norvegicus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 PRO A 641
ILE A 331
THR A 607
PHE A 622
PHE A 609
 None
 1.42A 6j20A-4u90A:
undetectable		 6j20A-4u90A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xru HEN1

(Capnocytophaga
gingivalis) 		no annotation 5 ASN C 179
ILE C  76
THR C 145
ILE C 147
PHE C 133
 None
 1.39A 6j20A-4xruC:
undetectable		 6j20A-4xruC:
21.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zpd RNA-DIRECTED RNA
POLYMERASE

(Enterovirus B) 		PF00680
(RdRP_1) 		5 ILE A 301
TYR A  81
ILE A  90
PHE A 191
MET A 187
 None
 1.42A 6j20A-4zpdA:
undetectable		 6j20A-4zpdA:
22.14
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.
5an9 60S RIBOSOMAL
PROTEIN L9

(Dictyostelium
discoideum) 		PF00347
(Ribosomal_L6) 		5 ASN B  77
VAL B  55
ILE B  68
PHE B  38
HIS B  40
 G  N3448 ( 3.1A)
None
None
None
A  N3459 ( 4.2A)
 1.50A 6j20A-5an9B:
undetectable		 6j20A-5an9B:
19.09
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 VAL A 441
ILE A 559
THR A 506
ILE A 507
PHE A 448
 None
 1.50A 6j20A-5bn4A:
undetectable		 6j20A-5bn4A:
19.83
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.
5evi BETA-LACTAMASE/D-ALA
NINE
CARBOXYPEPTIDASE

(Pseudomonas
syringae group
genomosp. 3) 		PF00144
(Beta-lactamase) 		5 PRO B 121
VAL B 124
TYR B 221
ILE B 215
PHE B 134
 None
 1.15A 6j20A-5eviB:
undetectable		 6j20A-5eviB:
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.
5haf DEUBIQUITINASE SSEL

(Salmonella
enterica) 		no annotation 5 VAL A 270
ILE A 196
ILE A 240
PHE A 229
PHE A 216
 None
 1.39A 6j20A-5hafA:
undetectable		 6j20A-5hafA:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i4q ELONGATION FACTOR TU

(Escherichia
coli) 		PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 VAL C 338
ILE C 311
TYR C 327
THR C 341
PHE C 305
 None
None
SO4  C 401 (-4.9A)
None
None
 1.25A 6j20A-5i4qC:
undetectable		 6j20A-5i4qC:
17.42
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.
5m0y IG DOMAIN PROTEIN
GROUP 2 DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 5 VAL B 102
ILE B  15
TYR B 164
PHE B  19
MET B 141
 None
 1.42A 6j20A-5m0yB:
undetectable		 6j20A-5m0yB:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mkf POLYCYSTIN-2

(Homo sapiens) 		PF08016
(PKD_channel) 		5 PRO A 453
VAL A 451
TYR A 386
THR A 419
PHE A 279
 None
 1.38A 6j20A-5mkfA:
5.1		 6j20A-5mkfA:
16.88
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.
5ufl PROTEIN CIP2A

(Homo sapiens) 		no annotation 5 ILE A 393
ILE A 374
PHE A 321
PHE A 385
MET A 320
 None
 1.07A 6j20A-5uflA:
undetectable		 6j20A-5uflA:
21.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xe0 GENOME POLYPROTEIN

(Enterovirus D) 		PF00680
(RdRP_1) 		5 ILE A 296
TYR A  77
ILE A  86
PHE A 187
MET A 183
 None
 1.40A 6j20A-5xe0A:
undetectable		 6j20A-5xe0A:
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.
5xei CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
yayanosii) 		PF02463
(SMC_N) 		5 VAL A 143
ILE A 166
PHE A 151
PHE A1081
MET A 154
 None
 1.45A 6j20A-5xeiA:
undetectable		 6j20A-5xeiA:
22.38
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.
5xxo PERIPLASMIC
BETA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		no annotation 5 ASN A  81
ILE A  57
TYR A 115
ILE A 202
MET A 251
 BGC  A 802 ( 4.0A)
None
None
None
BGC  A 802 (-3.7A)
 1.32A 6j20A-5xxoA:
undetectable		 6j20A-5xxoA:
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.
6b4m MONOTREME LACTATION
PROTEIN

(Ornithorhynchus
anatinus) 		no annotation 5 VAL A 269
TYR A  58
THR A  92
PHE A 262
PHE A  30
 None
 1.41A 6j20A-6b4mA:
undetectable		 6j20A-6b4mA:
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.
6caa ELECTROGENIC SODIUM
BICARBONATE
COTRANSPORTER 1

(Homo sapiens) 		no annotation 5 PRO A 712
ILE A 852
TYR A 433
THR A 438
ILE A 441
 None
 1.36A 6j20A-6caaA:
1.3		 6j20A-6caaA:
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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARE

(Acetobacterium
woodii) 		no annotation 5 ILE A 341
TYR A 336
THR A 305
ILE A 273
PHE A 292
 FAD  A 401 (-4.1A)
None
None
None
None
 1.42A 6j20A-6fahA:
undetectable		 6j20A-6fahA:
undetectable