SIMILAR PATTERNS OF AMINO ACIDS FOR 2G72_A_SAMA2001

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.
1h3e TYROSYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00579
(tRNA-synt_1b) 		5 TYR A 265
LEU A 269
HIS A 289
ALA A 249
VAL A 257
 None
None
G  B  34 ( 4.4A)
None
None
 1.39A 2g72A-1h3eA:
2.0		 2g72A-1h3eA:
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 ASP A 430
VAL A 433
ALA A 360
VAL A 279
TYR A 293
 None
 1.41A 2g72A-1jx2A:
undetectable		 2g72A-1jx2A:
13.25
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.
1n21 (+)-BORNYL
DIPHOSPHATE SYNTHASE

(Salvia
officinalis) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 THR A 369
LEU A 363
ASP A 352
VAL A 349
CYH A 388
 None
 1.28A 2g72A-1n21A:
undetectable		 2g72A-1n21A:
19.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		12 TYR A  27
THR A  83
PHE A 102
LEU A 103
ASP A 158
VAL A 159
HIS A 160
ALA A 181
PHE A 182
CYH A 183
VAL A 187
TYR A 222
 SAH  A2002 (-3.6A)
SAH  A2002 (-2.9A)
SAH  A2002 (-4.4A)
SAH  A2002 (-3.9A)
SAH  A2002 (-3.6A)
SAH  A2002 (-3.5A)
SAH  A2002 (-4.1A)
SAH  A2002 (-3.3A)
IDI  A3003 ( 3.4A)
SAH  A2002 (-3.4A)
SAH  A2002 (-4.3A)
IDI  A3003 (-3.8A)
 0.23A 2g72A-1n7jA:
47.0		 2g72A-1n7jA:
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.
1qjm LACTOFERRIN

(Equus caballus) 		PF00405
(Transferrin) 		5 LEU A 411
VAL A 345
HIS A 606
PHE A 618
VAL A 610
 None
 1.36A 2g72A-1qjmA:
undetectable		 2g72A-1qjmA:
17.39
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.
1tdh NEI ENDONUCLEASE
VIII-LIKE 1

(Homo sapiens) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH)
PF09292
(Neil1-DNA_bind) 		5 PHE A 101
LEU A  60
ALA A  20
CYH A  18
VAL A  14
 None
 1.34A 2g72A-1tdhA:
undetectable		 2g72A-1tdhA:
21.71
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.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		5 LEU A 112
ASP A 107
HIS A 105
ALA A  26
PHE A  27
 None
 1.42A 2g72A-1tf0A:
undetectable		 2g72A-1tf0A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 VAL A  57
ALA A 473
PHE A 477
CYH A 475
VAL A 481
 None
 1.16A 2g72A-1tmoA:
undetectable		 2g72A-1tmoA:
15.99
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.
1wqa PHOSPHO-SUGAR MUTASE

(Pyrococcus
horikoshii) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A 363
ASP A 237
VAL A 177
ALA A 249
VAL A 350
 LEU  A 363 ( 0.6A)
ASP  A 237 ( 0.5A)
VAL  A 177 ( 0.6A)
ALA  A 249 ( 0.0A)
VAL  A 350 ( 0.6A)
 1.23A 2g72A-1wqaA:
undetectable		 2g72A-1wqaA:
21.23
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.
1yle ARGININE
N-SUCCINYLTRANSFERAS
E, ALPHA CHAIN

(Pseudomonas
aeruginosa) 		PF04958
(AstA) 		5 LEU A 132
ASP A  21
ALA A  76
PHE A  61
CYH A  74
 None
 1.38A 2g72A-1yleA:
undetectable		 2g72A-1yleA:
22.10
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.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 TYR A 117
PHE A 112
VAL A 110
ALA A 140
VAL A 115
 None
 1.42A 2g72A-1zjrA:
undetectable		 2g72A-1zjrA:
22.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		7 TYR A  11
THR A  67
PHE A  86
ASP A 142
VAL A 143
HIS A 144
TYR A 204
 SAH  A4001 ( 3.8A)
SAH  A4001 (-3.5A)
SAH  A4001 (-4.6A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.7A)
SAH  A4001 (-4.3A)
None
 0.45A 2g72A-2a14A:
36.8		 2g72A-2a14A:
35.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aml SIS DOMAIN PROTEIN

(Listeria
monocytogenes) 		PF01380
(SIS) 		5 THR A 154
LEU A  30
ASP A 132
ALA A  45
VAL A  89
 None
 1.36A 2g72A-2amlA:
undetectable		 2g72A-2amlA:
21.25
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.
2ftz GERANYLTRANSTRANSFER
ASE

(Thermotoga
maritima) 		PF00348
(polyprenyl_synt) 		5 LEU A 178
VAL A  63
ALA A 169
CYH A 171
VAL A  42
 MLY  A 179 ( 4.3A)
None
MLY  A 187 ( 3.2A)
None
None
 1.45A 2g72A-2ftzA:
undetectable		 2g72A-2ftzA:
20.06
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.
2g9f PEPTIDE N-GLYCANASE

(Mus musculus) 		PF04721
(PAW) 		5 TYR A 501
THR A 568
LEU A 492
ALA A 613
VAL A 518
 None
 1.36A 2g72A-2g9fA:
undetectable		 2g72A-2g9fA:
20.07
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.
2hjn MAINTENANCE OF
PLOIDY PROTEIN MOB1

(Saccharomyces
cerevisiae) 		PF03637
(Mob1_phocein) 		5 TYR A 259
LEU A 279
VAL A 308
PHE A 289
CYH A 287
 None
 1.31A 2g72A-2hjnA:
undetectable		 2g72A-2hjnA:
21.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  12
THR A  68
ASP A 143
VAL A 144
CYH A 166
TYR A 205
 SAH  A4001 (-3.8A)
SAH  A4001 (-3.6A)
SAH  A4001 (-4.0A)
SAH  A4001 (-3.6A)
SAH  A4001 ( 3.8A)
None
 0.41A 2g72A-2i62A:
37.1		 2g72A-2i62A:
37.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  11
THR A  67
ASP A 142
VAL A 143
CYH A 165
TYR A 204
 SAH  A4001 (-3.7A)
SAH  A4001 (-3.5A)
SAH  A4001 (-3.7A)
SAH  A4001 (-3.7A)
SAH  A4001 ( 3.8A)
None
 0.50A 2g72A-2iipA:
36.3		 2g72A-2iipA:
36.90
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.
2inf UROPORPHYRINOGEN
DECARBOXYLASE

(Bacillus
subtilis) 		PF01208
(URO-D) 		5 THR A 156
LEU A 180
ASP A 187
PHE A 149
VAL A 226
 None
 1.41A 2g72A-2infA:
undetectable		 2g72A-2infA:
22.47
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.
2ioj HYPOTHETICAL PROTEIN
AF_1212

(Archaeoglobus
fulgidus) 		PF07085
(DRTGG) 		5 THR A 257
LEU A 314
VAL A 209
CYH A 276
VAL A 230
 None
 1.40A 2g72A-2iojA:
undetectable		 2g72A-2iojA:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2mkk CYTOPLASMIC
POLYADENYLATION
ELEMENT-BINDING
PROTEIN 1

(Homo sapiens) 		PF16367
(RRM_7) 		5 LEU A 361
VAL A 396
ALA A 410
PHE A 412
VAL A 354
 None
 1.39A 2g72A-2mkkA:
undetectable		 2g72A-2mkkA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nqn MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
MOEA

(Escherichia
coli) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		5 LEU A  18
VAL A 246
ALA A 285
CYH A 295
VAL A 312
 None
 1.34A 2g72A-2nqnA:
undetectable		 2g72A-2nqnA:
22.17
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 LEU A 161
ASP A 139
ALA A 261
PHE A  52
VAL A   6
 None
 1.41A 2g72A-2nwhA:
3.9		 2g72A-2nwhA:
23.32
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.
2pmo SER/THR PROTEIN
KINASE

(Plasmodium
falciparum) 		PF00069
(Pkinase) 		5 PHE X 159
LEU X 156
ASP X 229
HIS X 170
CYH X 100
 None
 1.30A 2g72A-2pmoX:
undetectable		 2g72A-2pmoX:
18.66
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.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12

(Homo sapiens) 		PF00644
(PARP) 		5 TYR A 670
VAL A 674
ALA A 573
CYH A 575
VAL A 532
 None
None
CIT  A 801 ( 4.4A)
None
None
 1.17A 2g72A-2pqfA:
undetectable		 2g72A-2pqfA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2re3 UNCHARACTERIZED
PROTEIN

(Ruegeria
pomeroyi) 		PF06938
(DUF1285) 		5 LEU A  79
VAL A 117
ALA A  45
PHE A  51
VAL A  63
 None
 1.45A 2g72A-2re3A:
undetectable		 2g72A-2re3A:
24.31
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.
2x98 ALKALINE PHOSPHATASE

(Halobacterium
salinarum) 		PF00245
(Alk_phosphatase) 		5 LEU A 473
VAL A 136
ALA A 119
PHE A 122
VAL A 126
 None
 1.36A 2g72A-2x98A:
undetectable		 2g72A-2x98A:
24.94
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.
2xym RNA-DIRECTED RNA
POLYMERASE

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 ASP A 125
VAL A 122
ALA A  88
CYH A 170
VAL A 167
 None
 1.44A 2g72A-2xymA:
undetectable		 2g72A-2xymA:
20.07
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.
2yu1 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1A

(Homo sapiens) 		PF02373
(JmjC) 		5 PHE A 215
VAL A 220
ALA A 285
PHE A 211
TYR A 244
 None
 1.32A 2g72A-2yu1A:
undetectable		 2g72A-2yu1A:
19.57
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.
2yys PROLINE
IMINOPEPTIDASE-RELAT
ED PROTEIN

(Thermus
thermophilus) 		PF12697
(Abhydrolase_6) 		5 TYR A 210
LEU A 208
ASP A  79
VAL A  82
ALA A 101
 None
 1.32A 2g72A-2yysA:
2.0		 2g72A-2yysA:
26.13
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.
3a9x SELENOCYSTEINE LYASE

(Rattus
norvegicus) 		PF00266
(Aminotran_5) 		5 PHE A 240
LEU A 256
ASP A 239
VAL A 238
ALA A 225
 None
 1.30A 2g72A-3a9xA:
undetectable		 2g72A-3a9xA:
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.
3bdl STAPHYLOCOCCAL
NUCLEASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00565
(SNase)
PF00567
(TUDOR) 		5 PHE A 819
ASP A 795
VAL A 792
ALA A 772
TYR A 853
 None
 1.32A 2g72A-3bdlA:
undetectable		 2g72A-3bdlA:
19.19
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.
3bkx SAM-DEPENDENT
METHYLTRANSFERASE

(Lactobacillus
paracasei) 		PF13649
(Methyltransf_25) 		5 THR A  28
ASP A 155
VAL A 126
ALA A  58
VAL A  40
 None
 1.13A 2g72A-3bkxA:
8.8		 2g72A-3bkxA:
22.37
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.
3bwh CUCURMOSIN

(Cucurbita
moschata) 		PF00161
(RIP) 		5 PHE A  47
LEU A  93
ASP A  65
VAL A  66
VAL A  41
 None
 1.08A 2g72A-3bwhA:
undetectable		 2g72A-3bwhA:
20.79
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.
3cji POLYPROTEIN

(Senecavirus A) 		PF00073
(Rhv) 		5 THR C 139
VAL C 119
ALA C  82
PHE C  80
VAL C 133
 None
 1.30A 2g72A-3cjiC:
undetectable		 2g72A-3cjiC:
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.
3co1 MICROTUBULE-ASSOCIAT
ED PROTEIN RP/EB
FAMILY MEMBER 3

(Homo sapiens) 		PF00307
(CH) 		5 VAL A  77
ALA A  43
PHE A  47
CYH A  45
VAL A  56
 None
 1.38A 2g72A-3co1A:
undetectable		 2g72A-3co1A:
16.55
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.
3d9r KETOSTEROID
ISOMERASE-LIKE
PROTEIN

(Pectobacterium
atrosepticum) 		PF12680
(SnoaL_2) 		5 THR A  34
PHE A  86
LEU A 113
VAL A  77
ALA A  18
 None
 1.41A 2g72A-3d9rA:
undetectable		 2g72A-3d9rA:
17.12
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 LEU A 187
VAL A 227
HIS A 265
ALA A 166
VAL A 269
 None
None
None
HEM  A 500 ( 4.4A)
None
 1.36A 2g72A-3dbgA:
undetectable		 2g72A-3dbgA:
22.83
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.
3dto BH2835 PROTEIN

(Bacillus
halodurans) 		PF01966
(HD) 		5 LEU A 180
ASP A 125
VAL A  33
HIS A  29
ALA A 115
 None
 1.15A 2g72A-3dtoA:
undetectable		 2g72A-3dtoA:
22.77
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.
3dxi PUTATIVE ALDOLASE

(Bacteroides
vulgatus) 		PF00682
(HMGL-like) 		5 THR A 183
LEU A 175
PHE A 130
CYH A 159
VAL A 161
 None
 1.27A 2g72A-3dxiA:
undetectable		 2g72A-3dxiA:
24.36
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.
3e3q T-CELL RECEPTOR
ALPHA CHAIN V REGION
PHDS58

(Mus musculus) 		no annotation 5 TYR D  88
LEU D  75
VAL D  12
VAL D 112
TYR D  38
 None
 1.45A 2g72A-3e3qD:
undetectable		 2g72A-3e3qD:
19.53
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.
3ejf NON-STRUCTURAL
PROTEIN 3

(Avian
coronavirus) 		PF01661
(Macro) 		5 ASP A 117
VAL A 116
CYH A  89
VAL A  79
TYR A  64
 None
 0.98A 2g72A-3ejfA:
undetectable		 2g72A-3ejfA:
19.00
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.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 THR A 955
LEU A1066
VAL A1107
ALA A1153
VAL A1081
 None
 1.22A 2g72A-3fawA:
undetectable		 2g72A-3fawA:
15.91
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.
3g33 CCND3 PROTEIN

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		5 THR B 235
PHE B 163
LEU B  31
ASP B  24
HIS B 166
 None
 1.34A 2g72A-3g33B:
undetectable		 2g72A-3g33B:
21.49
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.
3h0g DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC1

(Schizosaccharomyces
pombe) 		PF01191
(RNA_pol_Rpb5_C)
PF03871
(RNA_pol_Rpb5_N) 		5 ASP E  24
VAL E  22
HIS E  23
PHE E  59
VAL E  29
 None
 1.45A 2g72A-3h0gE:
undetectable		 2g72A-3h0gE:
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.
3h74 PYRIDOXAL KINASE

(Lactobacillus
plantarum) 		PF08543
(Phos_pyr_kin) 		5 THR A  91
ASP A   9
HIS A 279
ALA A 125
VAL A 107
 None
 1.43A 2g72A-3h74A:
undetectable		 2g72A-3h74A:
24.92
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.
3hfs ANTHOCYANIDIN
REDUCTASE

(Vitis vinifera) 		PF01370
(Epimerase) 		5 VAL A 113
HIS A  86
ALA A  76
PHE A  64
VAL A  15
 None
 1.38A 2g72A-3hfsA:
5.3		 2g72A-3hfsA:
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.
3i6e MUCONATE
CYCLOISOMERASE I

(Ruegeria
pomeroyi) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 298
LEU A 247
ASP A 221
VAL A 195
ALA A 145
 None
 1.35A 2g72A-3i6eA:
undetectable		 2g72A-3i6eA:
23.31
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.
3ihw CENTG3

(Homo sapiens) 		PF00071
(Ras) 		5 LEU A 140
ASP A 244
VAL A 241
ALA A 106
VAL A 161
 None
 1.43A 2g72A-3ihwA:
undetectable		 2g72A-3ihwA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jxa CONTACTIN 4

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 TYR A 293
THR A 241
PHE A 231
LEU A 245
PHE A 312
 None
 1.44A 2g72A-3jxaA:
undetectable		 2g72A-3jxaA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 LEU A 213
VAL A 173
ALA A 222
CYH A 221
VAL A 162
 None
 1.36A 2g72A-3k30A:
undetectable		 2g72A-3k30A:
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.
3k5z FEM-3 MRNA-BINDING
FACTOR 2

(Caenorhabditis
elegans) 		PF00806
(PUF) 		5 THR A 278
VAL A 347
ALA A 317
CYH A 319
VAL A 365
 None
 1.14A 2g72A-3k5zA:
undetectable		 2g72A-3k5zA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 THR A 511
LEU A 532
VAL A 584
ALA A 588
VAL A 572
 None
 1.21A 2g72A-3mosA:
2.2		 2g72A-3mosA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 PHE A 341
LEU A 335
ASP A 294
VAL A 295
ALA A 286
 None
 1.32A 2g72A-3qfhA:
undetectable		 2g72A-3qfhA:
18.26
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.
3qfh EPIDERMIN LEADER
PEPTIDE PROCESSING
SERINE PROTEASE EPIP

(Staphylococcus
aureus) 		PF00082
(Peptidase_S8) 		5 THR A 396
PHE A 341
LEU A 335
ASP A 294
VAL A 295
 None
 1.37A 2g72A-3qfhA:
undetectable		 2g72A-3qfhA:
18.26
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.
3u78 LYSINE-SPECIFIC
DEMETHYLASE 7

(Homo sapiens) 		PF02373
(JmjC) 		5 PHE A 285
VAL A 290
ALA A 355
PHE A 281
TYR A 314
 E67  A 707 (-4.3A)
None
None
None
None
 1.31A 2g72A-3u78A:
undetectable		 2g72A-3u78A:
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.
3wsu BETA-MANNANASE

(Streptomyces
thermolilacinus) 		PF00150
(Cellulase) 		5 LEU A 164
VAL A 101
HIS A  78
CYH A 124
VAL A 120
 None
 1.34A 2g72A-3wsuA:
undetectable		 2g72A-3wsuA:
26.09
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.
4da9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 THR A 121
PHE A 187
VAL A 230
ALA A  92
VAL A 189
 None
 1.24A 2g72A-4da9A:
3.7		 2g72A-4da9A:
23.53
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.
4ed9 CAIB/BAIF FAMILY
PROTEIN

(Brucella suis) 		PF02515
(CoA_transf_3) 		5 THR A 291
LEU A 266
ALA A 237
CYH A 253
VAL A 315
 None
 1.28A 2g72A-4ed9A:
undetectable		 2g72A-4ed9A:
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.
4h19 MANDELATE RACEMASE

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 130
VAL A 279
HIS A 313
ALA A 113
VAL A 312
 None
 1.41A 2g72A-4h19A:
undetectable		 2g72A-4h19A:
23.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ko2 PERIPLASMIC [NIFESE]
HYDROGENASE SMALL
SUBUNIT

(Desulfomicrobium
baculatum) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 LEU S 109
VAL S 145
ALA S 119
PHE S  73
VAL S  76
 None
 1.20A 2g72A-4ko2S:
undetectable		 2g72A-4ko2S:
21.25
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.
4lbw ELONGATION FACTOR
TU-A

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 TYR A  70
LEU A 203
VAL A  12
HIS A  11
ALA A 102
 None
 1.40A 2g72A-4lbwA:
undetectable		 2g72A-4lbwA:
24.01
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.
4mqt MUSCARINIC
ACETYLCHOLINE
RECEPTOR M2

(Homo sapiens) 		PF00001
(7tm_1) 		5 TYR A 440
LEU A  62
ASP A  69
PHE A 119
TYR A 206
 None
 1.32A 2g72A-4mqtA:
undetectable		 2g72A-4mqtA:
20.47
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.
4p9k TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Verminephrobacter
eiseniae) 		PF03480
(DctP) 		5 ASP A 284
VAL A 281
HIS A  49
ALA A 126
PHE A 120
 None
 1.35A 2g72A-4p9kA:
undetectable		 2g72A-4p9kA:
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.
4pdd TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ASP A 281
VAL A 278
HIS A  46
ALA A 123
PHE A 117
 None
 1.30A 2g72A-4pddA:
undetectable		 2g72A-4pddA:
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.
4pdh TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ASP A 284
VAL A 281
HIS A  49
ALA A 126
PHE A 120
 None
 1.36A 2g72A-4pdhA:
undetectable		 2g72A-4pdhA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA

(Escherichia
coli;
Staphylococcus
aureus) 		PF13416
(SBP_bac_8) 		5 TYR A 387
THR A 461
LEU A 429
ALA A 438
TYR A 391
 None
 1.12A 2g72A-4pqkA:
undetectable		 2g72A-4pqkA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0g PROBABLE
ACETYL-/PROPIONYL-CO
A CARBOXYLASE (BETA
SUBUNIT) ACCD1

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 ASP A 296
VAL A 297
HIS A 298
PHE A 366
VAL A 322
 None
 1.42A 2g72A-4q0gA:
undetectable		 2g72A-4q0gA:
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.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 5 THR A  85
LEU A 114
VAL A  91
ALA A  70
VAL A 106
 None
 1.19A 2g72A-4qfbA:
undetectable		 2g72A-4qfbA:
20.07
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.
4qx8 LYSINE-SPECIFIC
DEMETHYLASE 2A

(Mus musculus) 		PF02373
(JmjC) 		5 PHE A 215
VAL A 220
ALA A 285
PHE A 211
TYR A 244
 None
 1.38A 2g72A-4qx8A:
undetectable		 2g72A-4qx8A:
18.92
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.
4rlb CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN

(Acinetobacter
baumannii) 		no annotation 5 TYR A 108
LEU A 140
ASP A 143
VAL A 104
ALA A 170
 None
 1.41A 2g72A-4rlbA:
undetectable		 2g72A-4rlbA:
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.
4wwh ABC TRANSPORTER

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		5 LEU A 149
ASP A 156
VAL A 155
PHE A 185
VAL A 191
 None
 1.30A 2g72A-4wwhA:
undetectable		 2g72A-4wwhA:
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 LEU A 337
VAL A 282
ALA A 344
VAL A 280
TYR A 368
 None
 1.40A 2g72A-4wz9A:
undetectable		 2g72A-4wz9A:
15.14
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.
4yyc PUTATIVE
TRIMETHYLAMINE
METHYLTRANSFERASE

(Sinorhizobium
meliloti) 		PF06253
(MTTB) 		5 THR A 111
PHE A 314
LEU A 349
ALA A 310
VAL A 271
 None
 1.38A 2g72A-4yycA:
undetectable		 2g72A-4yycA:
21.91
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.
4z37 PUTATIVE MIXED
POLYKETIDE
SYNTHASE/NON-RIBOSOM
AL PEPTIDE
SYNTHETASE

(Brevibacillus
brevis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 PHE A2415
LEU A2475
ALA A2391
PHE A2390
VAL A2563
 None
 0.93A 2g72A-4z37A:
undetectable		 2g72A-4z37A:
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.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 PHE A 647
LEU A 706
ALA A 623
PHE A 622
VAL A 794
 None
 0.90A 2g72A-4zdnA:
undetectable		 2g72A-4zdnA:
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.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 PHE A 266
ASP A 209
VAL A 210
ALA A 288
CYH A 286
 None
SAH  A 401 ( 4.6A)
None
None
None
 1.37A 2g72A-5cvvA:
12.5		 2g72A-5cvvA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		5 THR A 137
LEU A 142
HIS A 470
ALA A 447
TYR A 458
 None
 1.34A 2g72A-5do7A:
undetectable		 2g72A-5do7A:
19.17
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.
5esr HALOALKANE
DEHALOGENASE

(Caulobacter
vibrioides) 		PF00561
(Abhydrolase_1) 		5 LEU A  50
ASP A  80
HIS A  37
ALA A  67
VAL A  39
 None
 1.37A 2g72A-5esrA:
undetectable		 2g72A-5esrA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5feu NOROXOMARITIDINE/NOR
CRAUGSODINE
REDUCTASE

(Narcissus
pseudonarcissus) 		PF13561
(adh_short_C2) 		5 THR A 210
ASP A  82
VAL A  83
VAL A 133
TYR A 175
 NAP  A 301 (-3.1A)
NAP  A 301 (-3.7A)
NAP  A 301 (-3.5A)
None
NAP  A 301 (-4.6A)
 1.38A 2g72A-5feuA:
6.7		 2g72A-5feuA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g4l OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Clostridium sp.) 		PF13561
(adh_short_C2) 		5 VAL A 100
HIS A 102
ALA A 137
CYH A 133
VAL A 129
 None
NDP  A1265 (-4.9A)
None
None
None
 1.26A 2g72A-5g4lA:
6.3		 2g72A-5g4lA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5itq ENDONUCLEASE 8-LIKE
1

(Homo sapiens) 		PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH)
PF09292
(Neil1-DNA_bind) 		5 PHE A 101
LEU A  60
ALA A  20
CYH A  18
VAL A  14
 None
 1.34A 2g72A-5itqA:
undetectable		 2g72A-5itqA:
24.18
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.
5jgj UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE

(Aspergillus
fumigatus) 		PF01209
(Ubie_methyltran) 		5 LEU A  29
ASP A  36
VAL A  35
ALA A  59
VAL A  63
 None
 1.43A 2g72A-5jgjA:
9.2		 2g72A-5jgjA:
23.32
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.
5jwr CIRCADIAN CLOCK
PROTEIN KINASE KAIC

(Thermosynechococcus
elongatus) 		PF06745
(ATPase) 		5 PHE A 195
VAL A 151
ALA A 169
PHE A 166
VAL A 161
 None
 1.35A 2g72A-5jwrA:
2.5		 2g72A-5jwrA:
22.04
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.
5jy7 MALTOKINASE

(Mycolicibacterium
smegmatis) 		PF01636
(APH) 		5 THR I 313
LEU I 236
VAL I 243
HIS I 244
ALA I 173
 None
 1.41A 2g72A-5jy7I:
undetectable		 2g72A-5jy7I:
22.47
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.
5k1h EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B

(Homo sapiens) 		PF00076
(RRM_1)
PF08662
(eIF2A) 		5 THR B 571
PHE B 525
ASP B 542
VAL B 541
ALA B 529
 None
 1.36A 2g72A-5k1hB:
undetectable		 2g72A-5k1hB:
20.34
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.
5ktk POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF08659
(KR) 		5 THR A 250
PHE A 238
LEU A 221
ALA A 322
VAL A 367
 None
None
None
NDP  A 601 (-3.5A)
None
 1.36A 2g72A-5ktkA:
6.1		 2g72A-5ktkA:
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.
5lgd PLATELET
GLYCOPROTEIN 4

(Homo sapiens) 		PF01130
(CD36) 		5 PHE A 279
ASP A 282
VAL A 283
ALA A 384
PHE A 383
 None
None
None
None
PLM  A 513 (-3.7A)
 1.41A 2g72A-5lgdA:
undetectable		 2g72A-5lgdA:
21.38
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(Methanotorris
formicicus;
Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N)
PF02240
(MCR_gamma) 		5 TYR B 295
LEU B 345
PHE C   7
VAL B 293
TYR C   3
 None
 1.33A 2g72A-5n28B:
undetectable		 2g72A-5n28B:
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.
5n2k BRIAKINUMAB FAB
LIGHT CHAIN

(Homo sapiens) 		no annotation 5 TYR G  87
LEU G  48
VAL G  18
ALA G  81
VAL G 108
 None
 1.39A 2g72A-5n2kG:
undetectable		 2g72A-5n2kG:
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.
5o5o RNASE ADAPTER
PROTEIN RAPZ

(Escherichia
coli) 		PF03668
(ATP_bind_2) 		5 LEU A 209
ASP A 202
ALA A 262
PHE A 164
VAL A 255
 None
 1.42A 2g72A-5o5oA:
undetectable		 2g72A-5o5oA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tjr METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
AAC) 		PF00171
(Aldedh) 		5 LEU A 297
HIS A 252
ALA A 344
PHE A 369
VAL A 285
 None
 1.42A 2g72A-5tjrA:
3.0		 2g72A-5tjrA:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u6s UDP-GLYCOSYLTRANSFER
ASE 74F2

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		5 PHE A 196
LEU A 220
VAL A 127
ALA A  10
VAL A 446
 None
 1.23A 2g72A-5u6sA:
undetectable		 2g72A-5u6sA:
21.69
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.
5udb CELL DIVISION CYCLE
PROTEIN CDT1

(Saccharomyces
cerevisiae) 		PF16679
(CDT1_C) 		5 PHE 8 318
LEU 8 363
VAL 8 404
ALA 8 310
PHE 8 313
 None
 1.31A 2g72A-5udb8:
undetectable		 2g72A-5udb8:
19.64
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.
5woq TRANSCRIPTIONAL
REGULATOR CLGR

(Mycolicibacterium
smegmatis) 		PF13560
(HTH_31) 		5 ASP A  70
VAL A  67
ALA A  55
CYH A  57
VAL A  62
 None
 1.16A 2g72A-5woqA:
undetectable		 2g72A-5woqA:
19.13
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 TYR A 651
PHE A 665
LEU A 659
VAL A 688
ALA A 607
 None
 1.26A 2g72A-5z06A:
undetectable		 2g72A-5z06A:
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.
5zb3 -

(-) 		no annotation 5 LEU A 376
VAL A 351
ALA A 315
CYH A 319
VAL A 323
 None
 1.30A 2g72A-5zb3A:
undetectable		 2g72A-5zb3A:
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.
6bhn METHYL-ACCEPTING
CHEMOTAXIS SENSORY
TRANSDUCER WITH
PHYTOCHROME SENSOR

(Nostoc
punctiforme) 		no annotation 5 TYR A 668
LEU A 714
ASP A 657
HIS A 659
ALA A 699
 CYC  A 800 (-3.9A)
None
CYC  A 800 (-2.1A)
CYC  A 800 (-3.6A)
None
 1.12A 2g72A-6bhnA:
undetectable		 2g72A-6bhnA:
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 5 PHE A 350
LEU A 464
ASP A 354
ALA A 454
VAL A 149
 None
None
None
HEM  A 600 (-3.4A)
None
 1.39A 2g72A-6c93A:
undetectable		 2g72A-6c93A:
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.
6fa5 PUTATIVE MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		no annotation 5 TYR A 333
PHE A 306
LEU A 307
VAL A 470
VAL A 299
 None
 1.18A 2g72A-6fa5A:
2.1		 2g72A-6fa5A:
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.
1axk GLUXYN-1

(Bacillus
subtilis) 		PF00457
(Glyco_hydro_11)
PF00722
(Glyco_hydro_16) 		4 TYR A 236
GLY A 329
TYR A 225
ASN A 219
 None
 1.14A 2g72A-1axkA:
undetectable		 2g72A-1axkA:
19.06
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.
1biy LACTOFERRIN

(Bubalus bubalis) 		PF00405
(Transferrin) 		4 TYR A 189
GLY A 204
ASP A 205
ASN A 113
 None
 1.15A 2g72A-1biyA:
undetectable		 2g72A-1biyA:
18.46
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.
1c20 DEAD RINGER PROTEIN

(Drosophila
melanogaster) 		PF01388
(ARID) 		4 TYR A  60
GLY A  68
TYR A 102
ASP A  71
 None
 1.28A 2g72A-1c20A:
undetectable		 2g72A-1c20A:
17.44
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.
1cyg CYCLODEXTRIN
GLUCANOTRANSFERASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 TYR A 355
GLY A 364
TYR A 356
ASN A 365
 None
 1.25A 2g72A-1cygA:
undetectable		 2g72A-1cygA:
16.87
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.
1dll TETANUS TOXIN

(Clostridium
tetani) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 GLY A1172
TYR A1202
ASP A1139
ASN A1171
 None
 1.29A 2g72A-1dllA:
undetectable		 2g72A-1dllA:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f02 INTIMIN

(Escherichia
coli) 		PF02368
(Big_2)
PF02369
(Big_1)
PF07979
(Intimin_C) 		4 TYR I 793
GLY I 789
ASP I 828
ASN I 790
 None
 1.26A 2g72A-1f02I:
undetectable		 2g72A-1f02I:
19.38
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.
1jpe DSBD-ALPHA

(Escherichia
coli) 		PF11412
(DsbC) 		4 TYR A  71
TYR A  42
GLY A  72
TYR A  40
 None
 1.29A 2g72A-1jpeA:
undetectable		 2g72A-1jpeA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		4 TYR A 349
GLY A 302
TYR A 381
ASP A 303
 None
 1.23A 2g72A-1lnsA:
undetectable		 2g72A-1lnsA:
16.64
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 TYR A 183
GLY A 172
TYR A 187
ASN A 242
 None
 1.06A 2g72A-1lrwA:
undetectable		 2g72A-1lrwA:
18.61
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.
1m2w MANNITOL
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 TYR A  86
GLY A  89
ASP A  90
ASN A 364
 None
 0.98A 2g72A-1m2wA:
3.3		 2g72A-1m2wA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mpo MALTOPORIN

(Escherichia
coli) 		PF02264
(LamB) 		4 GLY A 267
TYR A 234
ASP A 298
ASN A 266
 None
 1.12A 2g72A-1mpoA:
undetectable		 2g72A-1mpoA:
20.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  35
TYR A  40
GLY A  81
TYR A  85
ASP A 101
ASN A 106
 SAH  A2002 ( 4.4A)
SAH  A2002 (-4.6A)
SAH  A2002 (-3.0A)
SAH  A2002 (-4.6A)
SAH  A2002 (-3.1A)
SAH  A2002 (-3.6A)
 0.10A 2g72A-1n7jA:
47.0		 2g72A-1n7jA:
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.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		4 TYR A 274
GLY A 457
TYR A 437
ASP A 461
 None
 1.16A 2g72A-1oa1A:
undetectable		 2g72A-1oa1A:
20.11
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.
1qq0 CARBONIC ANHYDRASE

(Methanosarcina
thermophila) 		PF00132
(Hexapep)
PF14602
(Hexapep_2) 		4 TYR A 105
GLY A  69
ASP A  70
ASN A 111
 None
 1.20A 2g72A-1qq0A:
undetectable		 2g72A-1qq0A:
22.76
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 TYR A  58
GLY A  23
ASP A  24
ASN A  25
 None
 1.04A 2g72A-1qs8A:
undetectable		 2g72A-1qs8A:
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.
1rkb PROTEIN AD-004

(Homo sapiens) 		PF13238
(AAA_18) 		4 TYR A  78
GLY A  35
ASP A  36
ASN A  33
 None
 1.28A 2g72A-1rkbA:
undetectable		 2g72A-1rkbA:
20.07
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.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		4 TYR A 224
TYR A 210
GLY A 140
ASP A 141
 None
 1.21A 2g72A-1ru3A:
2.5		 2g72A-1ru3A:
16.96
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.
1sdd COAGULATION FACTOR V

(Bos taurus) 		PF07732
(Cu-oxidase_3) 		4 TYR A  91
GLY A  97
TYR A 145
ASP A 112
 None
None
None
CA  A2184 (-2.5A)
 0.99A 2g72A-1sddA:
undetectable		 2g72A-1sddA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		4 TYR A 314
GLY A 317
ASP A 321
ASN A 292
 None
 1.07A 2g72A-1sp3A:
undetectable		 2g72A-1sp3A:
18.89
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.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 TYR A 183
GLY A 172
TYR A 187
ASN A 242
 None
 1.12A 2g72A-1w6sA:
undetectable		 2g72A-1w6sA:
21.16
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.
1wky ENDO-BETA-1,4-MANNAN
ASE

(Bacillus sp.
JAMB-602) 		PF00150
(Cellulase) 		4 TYR A  44
GLY A  40
TYR A  37
ASP A 246
 None
 1.29A 2g72A-1wkyA:
undetectable		 2g72A-1wkyA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wzn SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		4 TYR A  16
TYR A  12
TYR A   5
ASP A 172
 None
SAH  A1001 (-4.9A)
SAH  A1001 (-3.5A)
None
 1.16A 2g72A-1wznA:
14.6		 2g72A-1wznA:
20.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  20
TYR A  25
GLY A  65
TYR A  69
ASP A  85
ASN A  90
 SAH  A4001 (-4.2A)
SAH  A4001 (-4.4A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.4A)
SAH  A4001 (-2.7A)
SAH  A4001 (-3.9A)
 0.25A 2g72A-2a14A:
36.8		 2g72A-2a14A:
35.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bac PUTATIVE
AMINOOXIDASE

(Cutibacterium
acnes) 		PF01593
(Amino_oxidase) 		4 TYR A 180
GLY A 132
TYR A 379
ASN A 131
 None
 1.19A 2g72A-2bacA:
undetectable		 2g72A-2bacA:
23.26
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.
2bfu COWPEA MOSAIC VIRUS,
LARGE (L) SUBUNIT

(Cowpea mosaic
virus) 		PF02247
(Como_LCP) 		4 TYR L 278
GLY L 269
ASP L 321
ASN L 270
 None
 1.27A 2g72A-2bfuL:
undetectable		 2g72A-2bfuL:
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.
2e1t ACYL TRANSFERASE

(Chrysanthemum x
morifolium) 		PF02458
(Transferase) 		4 GLY A 318
TYR A 207
ASP A 174
ASN A 319
 None
 1.24A 2g72A-2e1tA:
undetectable		 2g72A-2e1tA:
22.08
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.
2gzs IROE PROTEIN

(Escherichia
coli) 		PF00756
(Esterase) 		4 TYR A 119
TYR A 134
GLY A  91
ASN A  92
 None
 1.27A 2g72A-2gzsA:
undetectable		 2g72A-2gzsA:
19.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  21
TYR A  26
GLY A  66
TYR A  70
ASP A  86
ASN A  91
 SAH  A4001 (-4.5A)
SAH  A4001 (-4.4A)
SAH  A4001 (-3.2A)
SAH  A4001 (-4.3A)
SAH  A4001 (-2.9A)
SAH  A4001 (-3.9A)
 0.25A 2g72A-2i62A:
37.1		 2g72A-2i62A:
37.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  20
TYR A  25
GLY A  65
TYR A  69
ASP A  85
ASN A  90
 SAH  A4001 (-4.6A)
SAH  A4001 (-4.4A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.6A)
SAH  A4001 (-2.6A)
SAH  A4001 (-4.0A)
 0.29A 2g72A-2iipA:
36.3		 2g72A-2iipA:
36.90
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.
2j7a CYTOCHROME C NITRITE
REDUCTASE NRFA

(Desulfovibrio
vulgaris) 		PF02335
(Cytochrom_C552) 		4 TYR A 237
TYR A 265
GLY A 270
ASP A 271
 None
 0.95A 2g72A-2j7aA:
undetectable		 2g72A-2j7aA:
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.
2lf8 TRANSCRIPTION FACTOR
ETV6

(Mus musculus) 		PF00178
(Ets) 		4 GLY A 371
TYR A 340
ASP A 368
ASN A 370
 None
 1.13A 2g72A-2lf8A:
undetectable		 2g72A-2lf8A:
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.
2mpr MALTOPORIN

(Salmonella
enterica) 		PF02264
(LamB) 		4 GLY A 277
TYR A 234
ASP A 308
ASN A 276
 None
 1.13A 2g72A-2mprA:
undetectable		 2g72A-2mprA:
20.23
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.
2nt2 PROTEIN PHOSPHATASE
SLINGSHOT HOMOLOG 2

(Homo sapiens) 		PF00782
(DSPc) 		4 TYR A 411
TYR A 406
GLY A 412
TYR A 375
 None
 1.25A 2g72A-2nt2A:
undetectable		 2g72A-2nt2A:
19.57
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		4 TYR A1122
TYR A1141
GLY A1138
ASP A1136
 None
 1.14A 2g72A-2rhpA:
undetectable		 2g72A-2rhpA:
17.09
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.
2x8p CHOLINE-BINDING
PROTEIN F

(Streptococcus
pneumoniae) 		PF01473
(CW_binding_1) 		4 TYR A  77
GLY A  79
TYR A 109
ASP A  81
 None
 1.27A 2g72A-2x8pA:
undetectable		 2g72A-2x8pA:
20.83
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		4 TYR A 201
GLY A 281
TYR A 206
ASN A 280
 None
 1.26A 2g72A-2yh2A:
2.4		 2g72A-2yh2A:
22.22
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.
2yv1 SUCCINYL-COA LIGASE
[ADP-FORMING]
SUBUNIT ALPHA

(Methanocaldococcus
jannaschii) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		4 GLY A 185
TYR A 193
ASP A 186
ASN A 128
 None
 1.26A 2g72A-2yv1A:
4.0		 2g72A-2yv1A:
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 TYR A 359
GLY A 368
TYR A 360
ASN A 369
 None
 1.29A 2g72A-3bmwA:
undetectable		 2g72A-3bmwA:
17.16
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.
3c60 TCR YAE62 BETA CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR B  48
GLY B  96
TYR B  46
ASP B  97
 None
 1.01A 2g72A-3c60B:
undetectable		 2g72A-3c60B:
24.07
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.
3d36 SPORULATION KINASE B

(Geobacillus
stearothermophilus) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		4 TYR A 260
GLY A 381
TYR A 369
ASN A 320
 None
ADP  A 500 (-3.7A)
None
None
 1.04A 2g72A-3d36A:
undetectable		 2g72A-3d36A:
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 TYR A  90
GLY A  93
TYR A  76
ASP A  72
 None
 1.22A 2g72A-3dduA:
undetectable		 2g72A-3dduA:
16.34
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.
3eja PROTEIN GH61E

(Thielavia
terrestris) 		PF03443
(Glyco_hydro_61) 		4 TYR A 153
GLY A  26
ASP A  24
ASN A  21
 None
 1.29A 2g72A-3ejaA:
undetectable		 2g72A-3ejaA:
21.14
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.
3fdd L-ASPARTATE-BETA-DEC
ARBOXYLASE

(Comamonas
testosteroni) 		PF00155
(Aminotran_1_2) 		4 TYR A 441
TYR A 289
GLY A  38
ASN A 502
 None
PLP  A 534 (-4.6A)
None
None
 1.07A 2g72A-3fddA:
undetectable		 2g72A-3fddA:
19.52
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.
3ffc CF34 ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 TYR D  32
TYR D  25
GLY D  57
ASP D  60
 None
 1.24A 2g72A-3ffcD:
undetectable		 2g72A-3ffcD:
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		4 TYR A  14
GLY A  46
TYR A  21
ASP A  68
 SAH  A 308 ( 4.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-4.6A)
SAH  A 308 (-2.6A)
 0.78A 2g72A-3g5tA:
12.8		 2g72A-3g5tA:
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.
3gon PHOSPHOMEVALONATE
KINASE

(Streptococcus
pneumoniae) 		PF00288
(GHMP_kinases_N) 		4 TYR A  11
GLY A 146
ASP A 144
ASN A 145
 PMV  A 400 (-4.0A)
PMV  A 400 (-3.4A)
None
None
 1.26A 2g72A-3gonA:
undetectable		 2g72A-3gonA:
22.07
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.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Aquifex
aeolicus) 		PF01425
(Amidase) 		4 TYR A 303
GLY A 123
TYR A 302
ASP A 118
 None
ASN  A 901 (-3.2A)
ASN  A 901 (-4.6A)
None
 1.27A 2g72A-3h0lA:
undetectable		 2g72A-3h0lA:
18.80
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.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		4 TYR A 244
GLY A 189
TYR A 149
ASP A 193
 None
 1.26A 2g72A-3hgoA:
undetectable		 2g72A-3hgoA:
24.21
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		4 TYR M 221
TYR M 207
GLY M 137
ASP M 138
 None
 1.27A 2g72A-3i04M:
undetectable		 2g72A-3i04M:
16.51
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.
3i4g SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN BF1063

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TYR A  68
GLY A  57
TYR A  60
ASP A  56
 None
None
EPE  A   1 (-4.6A)
None
 1.27A 2g72A-3i4gA:
undetectable		 2g72A-3i4gA:
19.55
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.
3ial PROLYL-TRNA
SYNTHETASE

(Giardia
intestinalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		4 TYR A 291
GLY A 269
ASP A 245
ASN A 267
 None
 1.28A 2g72A-3ialA:
undetectable		 2g72A-3ialA:
19.12
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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		4 TYR A 466
GLY A 438
ASP A 437
ASN A 439
 None
 1.18A 2g72A-3ik2A:
undetectable		 2g72A-3ik2A:
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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 TYR A 588
TYR A 199
GLY A 582
TYR A 580
 None
 1.27A 2g72A-3ixwA:
undetectable		 2g72A-3ixwA:
17.06
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.
3j7a 40S RIBOSOMAL
PROTEIN US5

(Plasmodium
falciparum) 		PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		4 GLY G 121
TYR G 234
ASP G 118
ASN G 120
 None
 1.19A 2g72A-3j7aG:
undetectable		 2g72A-3j7aG:
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 TYR E 295
GLY E 117
TYR E 294
ASP E 112
 None
 1.27A 2g72A-3kfuE:
undetectable		 2g72A-3kfuE:
22.27
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.
3ks7 PUTATIVE PUTATIVE
PNGASE F

(Bacteroides
fragilis) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		4 TYR A 204
TYR A  62
TYR A  53
ASN A 114
 None
 1.23A 2g72A-3ks7A:
undetectable		 2g72A-3ks7A:
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.
3lb9 ENDO-1,4-BETA-XYLANA
SE

(Bacillus
circulans) 		PF00457
(Glyco_hydro_11) 		4 TYR A 145
GLY A  52
TYR A 134
ASN A 128
 None
 1.25A 2g72A-3lb9A:
undetectable		 2g72A-3lb9A:
18.08
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.
3lr1 TUNGSTATE ABC
TRANSPORTER,
PERIPLASMIC
TUNGSTATE-BINDING
PROTEIN

(Geobacter
sulfurreducens) 		PF12849
(PBP_like_2) 		4 TYR A 233
GLY A 170
ASP A 168
ASN A  81
 None
 1.24A 2g72A-3lr1A:
undetectable		 2g72A-3lr1A:
18.64
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.
3mkv PUTATIVE
AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 TYR A 234
TYR A 278
GLY A 197
ASP A 203
 SO4  A 427 (-4.6A)
None
SO4  A 427 (-3.2A)
None
 1.24A 2g72A-3mkvA:
undetectable		 2g72A-3mkvA:
23.50
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.
3otm CARBONIC ANHYDRASE

(Methanosarcina
thermophila) 		PF00132
(Hexapep)
PF14602
(Hexapep_2) 		4 TYR A 105
GLY A  69
ASP A  70
ASN A 111
 None
 1.25A 2g72A-3otmA:
undetectable		 2g72A-3otmA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 4 GLY A 147
TYR A 125
ASP A 148
ASN A 129
 None
None
MG  A 325 (-2.4A)
MG  A 325 ( 4.8A)
 1.26A 2g72A-3p4gA:
undetectable		 2g72A-3p4gA:
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 4 TYR A 106
GLY A 109
TYR A 125
ASP A  91
 None
 1.26A 2g72A-3p4gA:
undetectable		 2g72A-3p4gA:
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 4 TYR A 106
GLY A 109
TYR A 125
ASP A 110
 None
 1.27A 2g72A-3p4gA:
undetectable		 2g72A-3p4gA:
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.
3piq HUMAN MONOCLONAL
ANTIBODY 2909 FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 4 TYR H 100
TYR H 100
GLY H  97
ASP H  95
 None
 1.13A 2g72A-3piqH:
undetectable		 2g72A-3piqH:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qvi HISTO-ASPARTIC
PROTEASE

(Plasmodium
falciparum) 		PF00026
(Asp) 		4 TYR A  56
GLY A  21
ASP A  22
ASN A  23
 TYR  A  56 ( 1.3A)
GLY  A  21 ( 0.0A)
ASP  A  22 ( 0.5A)
ASN  A  23 ( 0.6A)
 1.15A 2g72A-3qviA:
undetectable		 2g72A-3qviA:
18.83
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.
3uuf LIP1, SECRETORY
LIPASE (FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		4 GLY A 226
TYR A 260
ASP A 280
ASN A 225
 None
None
NAG  A 501 (-3.8A)
None
 1.14A 2g72A-3uufA:
undetectable		 2g72A-3uufA:
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.
3uuf LIP1, SECRETORY
LIPASE (FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		4 TYR A 260
GLY A 226
ASP A 280
ASN A 225
 None
None
NAG  A 501 (-3.8A)
None
 1.16A 2g72A-3uufA:
undetectable		 2g72A-3uufA:
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		4 TYR A 393
GLY A 383
TYR A 350
ASP A 432
 RAM  A1206 (-3.8A)
None
None
None
 1.12A 2g72A-3w5nA:
undetectable		 2g72A-3w5nA:
15.05
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 TYR A 253
TYR A 269
GLY A 229
ASP A 250
 None
None
None
ZN  A1595 ( 3.2A)
 1.29A 2g72A-3zu0A:
undetectable		 2g72A-3zu0A:
18.60
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		4 GLY A  14
TYR A  85
ASP A  13
ASN A  72
 None
 1.07A 2g72A-4aovA:
undetectable		 2g72A-4aovA:
20.64
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		4 TYR A 312
GLY A  14
ASP A  13
ASN A  72
 None
 1.17A 2g72A-4aovA:
undetectable		 2g72A-4aovA:
20.64
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.
4ayg GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 TYR A1740
GLY A1736
TYR A1720
ASP A 934
 None
GOL  A2778 (-3.7A)
None
None
 1.30A 2g72A-4aygA:
undetectable		 2g72A-4aygA:
14.63
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.
4cgt CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 TYR A 359
GLY A 368
TYR A 360
ASN A 369
 None
 1.20A 2g72A-4cgtA:
undetectable		 2g72A-4cgtA:
18.65
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.
4dou ADIPONECTIN

(Homo sapiens) 		PF00386
(C1q) 		4 TYR A 327
TYR A 471
ASP A 509
ASN A 512
 None
None
None
EDO  A1009 ( 4.5A)
 1.03A 2g72A-4douA:
undetectable		 2g72A-4douA:
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.
4gk9 AGGLUTININ (BOA)

(Burkholderia
oklahomensis) 		no annotation 4 TYR A 146
GLY A 252
ASP A 250
ASN A 253
 None
 1.24A 2g72A-4gk9A:
undetectable		 2g72A-4gk9A:
20.53
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.
4l37 ARYLPHORIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 TYR B 147
GLY B 217
TYR B 224
ASP B 215
 None
 1.15A 2g72A-4l37B:
undetectable		 2g72A-4l37B:
16.47
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 TYR A 144
GLY A 214
TYR A 221
ASP A 212
 None
SCN  A 711 ( 4.4A)
None
None
 1.17A 2g72A-4l37A:
undetectable		 2g72A-4l37A:
15.91
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.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		4 TYR A 348
GLY A 435
ASP A 440
ASN A 407
 None
 1.16A 2g72A-4maeA:
undetectable		 2g72A-4maeA:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mzv EPITHELIAL CELL
ADHESION MOLECULE

(Homo sapiens) 		PF00086
(Thyroglobulin_1) 		4 TYR A 251
GLY A 123
TYR A 214
ASN A 120
 None
 1.14A 2g72A-4mzvA:
undetectable		 2g72A-4mzvA:
21.24
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		4 TYR A 286
GLY A 103
TYR A 285
ASP A  98
 None
GLN  A 501 (-3.8A)
GLN  A 501 (-4.3A)
None
 1.23A 2g72A-4n0iA:
undetectable		 2g72A-4n0iA:
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.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		4 TYR A 468
TYR A 528
GLY A 479
TYR A 546
 None
SGN  A 804 (-4.3A)
None
UAP  A 801 ( 3.6A)
 1.20A 2g72A-4pxqA:
undetectable		 2g72A-4pxqA:
17.94
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		4 TYR A 274
GLY A 251
TYR A 255
ASN A 270
 None
 1.17A 2g72A-4q1qA:
undetectable		 2g72A-4q1qA:
20.85
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 4 TYR B 211
GLY B 200
TYR B 215
ASN B 270
 None
 1.08A 2g72A-4tqoB:
undetectable		 2g72A-4tqoB:
20.95
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.
4uoo LIPOTEICHOIC ACID
SYNTHASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		4 TYR A 319
GLY A 554
TYR A 236
ASP A 534
 None
 1.23A 2g72A-4uooA:
undetectable		 2g72A-4uooA:
19.96
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Pseudomonas
aeruginosa) 		PF01425
(Amidase) 		4 TYR A 308
GLY A 128
TYR A 307
ASP A 123
 None
 1.16A 2g72A-4wj3A:
undetectable		 2g72A-4wj3A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 GLY A 432
TYR A 142
ASP A 430
ASN A 133
 None
 0.84A 2g72A-4z2aA:
undetectable		 2g72A-4z2aA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ztp HEAVY CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53
LIGHT CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H  99
TYR L  32
GLY H  99
ASP H  99
 None
 1.01A 2g72A-4ztpH:
undetectable		 2g72A-4ztpH:
21.75
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.
5aeb LRA-12

(uncultured
bacterium BLR12) 		PF00753
(Lactamase_B) 		4 TYR A 236
GLY A 199
TYR A 154
ASP A 139
 None
 1.12A 2g72A-5aebA:
undetectable		 2g72A-5aebA:
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.
5f1q PERIPLASMIC
DIPEPTIDE TRANSPORT
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		4 TYR A 519
TYR A  33
ASP A 530
ASN A 531
 None
 1.22A 2g72A-5f1qA:
undetectable		 2g72A-5f1qA:
21.92
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 TYR A 694
TYR A 698
GLY A  70
ASN A 617
 None
 1.25A 2g72A-5fp1A:
undetectable		 2g72A-5fp1A:
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.
5ftt ADHESION G
PROTEIN-COUPLED
RECEPTOR L3

(Mus musculus) 		PF02140
(Gal_Lectin)
PF02191
(OLF) 		4 TYR C 238
TYR C 268
GLY C 284
ASP C 283
 None
 1.22A 2g72A-5fttC:
undetectable		 2g72A-5fttC:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gmx CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		4 TYR A 201
GLY A 272
TYR A 279
ASN A 271
 None
 1.25A 2g72A-5gmxA:
undetectable		 2g72A-5gmxA:
23.57
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		4 TYR A 831
GLY A 839
TYR A 834
ASN A 840
 None
 1.08A 2g72A-5kdxA:
undetectable		 2g72A-5kdxA:
15.78
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.
5l2p ARYLESTERASE

(Sulfolobus
solfataricus) 		PF07859
(Abhydrolase_3) 		4 TYR A 198
GLY A 278
TYR A 202
ASN A 277
 None
 1.24A 2g72A-5l2pA:
2.6		 2g72A-5l2pA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5udm PHAGE-ASSOCIATED
CELL WALL HYDROLASE

(Streptococcus
pyogenes) 		no annotation 4 GLY B  37
TYR B  10
ASP B  33
ASN B  36
 None
 1.27A 2g72A-5udmB:
undetectable		 2g72A-5udmB:
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.
5v41 POLYKETIDE SYNTHASE
PKS13 (TERMINATION
POLYKETIDE SYNTHASE)

(Mycobacterium
tuberculosis) 		PF00975
(Thioesterase) 		4 TYR A1663
GLY A1681
TYR A1674
ASP A1680
 J24  A1801 (-4.3A)
None
J24  A1801 (-3.8A)
None
 1.28A 2g72A-5v41A:
undetectable		 2g72A-5v41A:
22.84
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.
5vl3 B-CELL RECEPTOR CD22

(Homo sapiens) 		no annotation 4 GLY Q  96
TYR Q  77
ASP Q  97
ASN Q 101
 NAG  Q1003 ( 4.8A)
None
None
NAG  Q1003 (-1.9A)
 1.15A 2g72A-5vl3Q:
undetectable		 2g72A-5vl3Q:
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 GLY A 343
TYR A 396
ASP A 344
ASN A 342
 None
 1.05A 2g72A-5x1nA:
undetectable		 2g72A-5x1nA:
21.26
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.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 4 TYR A 214
GLY A 203
TYR A 218
ASN A 273
 None
 1.15A 2g72A-5xm3A:
undetectable		 2g72A-5xm3A:
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.
6d3u ULVAN LYASE

(Nonlabens
ulvanivorans) 		no annotation 4 TYR A 278
TYR A  99
GLY A  75
TYR A  86
 None
 0.73A 2g72A-6d3uA:
undetectable		 2g72A-6d3uA:
undetectable