SIMILAR PATTERNS OF AMINO ACIDS FOR 2G72_A_SAMA2001_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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