SIMILAR PATTERNS OF AMINO ACIDS FOR 2G72_B_SAMB2002_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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 GLY A 485
TYR A 490
ASP A 256
ASP A 260
 None
 0.93A 2g72B-1c4kA:
undetectable		 2g72B-1c4kA:
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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		4 GLY A 370
TYR A  90
ASN A 374
ASP A 319
 None
 1.07A 2g72B-1cemA:
undetectable		 2g72B-1cemA:
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.
1dqz PROTEIN (ANTIGEN
85-C)

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		4 TYR A 172
TYR A  93
ASP A  38
ASP A  50
 None
 1.03A 2g72B-1dqzA:
undetectable		 2g72B-1dqzA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA
METHYL-COENZYME M
REDUCTASE SUBUNIT
GAMMA

(Methanosarcina
barkeri;
Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		4 TYR A1498
GLY A1473
TYR A1495
ASP C3238
 None
SMC  A1472 ( 2.4A)
None
None
 1.08A 2g72B-1e6yA:
undetectable		 2g72B-1e6yA:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fta FRUCTOSE-1,6-BISPHOS
PHATASE

(Homo sapiens) 		PF00316
(FBPase) 		4 TYR A 264
TYR A 215
GLY A 273
ASP A 309
 None
 1.09A 2g72B-1ftaA:
undetectable		 2g72B-1ftaA:
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.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		4 TYR A 398
GLY A 252
TYR A 132
ASP A 238
 None
 1.05A 2g72B-1hxjA:
undetectable		 2g72B-1hxjA:
18.95
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.
1kag SHIKIMATE KINASE I

(Escherichia
coli) 		PF01202
(SKI) 		4 TYR A 144
GLY A  81
ASP A  36
ASP A  46
 None
 1.07A 2g72B-1kagA:
undetectable		 2g72B-1kagA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.04A 2g72B-1lrwA:
undetectable		 2g72B-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.
1lwu FIBRINOGEN GAMMA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C) 		4 TYR C 260
GLY C 290
TYR C 279
ASP C 295
 None
 0.95A 2g72B-1lwuC:
undetectable		 2g72B-1lwuC:
18.88
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.
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
 1.01A 2g72B-1m2wA:
3.3		 2g72B-1m2wA:
20.93
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) 		7 TYR A  35
TYR A  40
GLY A  81
TYR A  85
ASP A 101
ASN A 106
ASP A 158
 SAH  A2002 ( 4.4A)
SAH  A2002 (-4.6A)
SAH  A2002 (-3.0A)
SAH  A2002 (-4.6A)
SAH  A2002 (-3.1A)
SAH  A2002 (-3.6A)
SAH  A2002 (-3.6A)
 0.17A 2g72B-1n7jA:
46.0		 2g72B-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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 GLY A  46
TYR A  25
ASP A  66
ASP A  94
 None
 0.68A 2g72B-1nkvA:
11.1		 2g72B-1nkvA:
24.43
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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 TYR A  25
GLY A  46
ASP A  66
ASP A  94
 None
 1.03A 2g72B-1nkvA:
11.1		 2g72B-1nkvA:
24.43
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.
1qdb CYTOCHROME C NITRITE
REDUCTASE

(Sulfurospirillum
deleyianum) 		PF02335
(Cytochrom_C552) 		4 GLY A 166
TYR A 498
ASN A 169
ASP A 172
 HEM  A 516 (-4.4A)
None
HEM  A 517 ( 4.4A)
None
 0.87A 2g72B-1qdbA:
undetectable		 2g72B-1qdbA:
19.01
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.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 TYR A  58
GLY A  23
ASP A  24
ASN A  25
 None
 1.09A 2g72B-1qs8A:
undetectable		 2g72B-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.
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)
 1.00A 2g72B-1sddA:
undetectable		 2g72B-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.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		4 TYR A 174
TYR A  95
ASP A  40
ASP A  52
 None
 1.10A 2g72B-1sfrA:
undetectable		 2g72B-1sfrA:
22.86
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
 1.08A 2g72B-1sp3A:
undetectable		 2g72B-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.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		4 TYR A 225
GLY A 362
ASP A 325
ASP A 329
 None
 1.09A 2g72B-1t47A:
undetectable		 2g72B-1t47A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uf3 HYPOTHETICAL PROTEIN
TT1561

(Thermus
thermophilus) 		PF14582
(Metallophos_3) 		4 GLY A  71
TYR A 131
ASN A  41
ASP A  51
 None
 1.07A 2g72B-1uf3A:
undetectable		 2g72B-1uf3A:
20.27
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.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		4 TYR A 401
GLY A 255
TYR A 138
ASP A 241
 None
 0.90A 2g72B-1v02A:
undetectable		 2g72B-1v02A:
19.86
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.
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
 1.10A 2g72B-1w6sA:
undetectable		 2g72B-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.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		4 TYR A 480
GLY A 402
ASN A 405
ASP A 175
 TPQ  A 478 ( 3.9A)
None
None
None
 1.03A 2g72B-1w7cA:
undetectable		 2g72B-1w7cA:
16.36
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.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae) 		PF00232
(Glyco_hydro_1) 		4 GLY A 378
TYR A 309
ASP A 379
ASP A 384
 None
GOL  A1466 ( 3.7A)
None
None
 1.03A 2g72B-1wcgA:
undetectable		 2g72B-1wcgA:
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.
1wzn SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		4 TYR A  12
GLY A  51
ASP A  70
ASP A  96
 SAH  A1001 (-4.9A)
SAH  A1001 (-3.1A)
SAH  A1001 (-2.7A)
SAH  A1001 (-3.3A)
 0.61A 2g72B-1wznA:
14.6		 2g72B-1wznA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		4 TYR A 266
TYR A 483
GLY A 418
ASP A  47
 None
None
None
ZN  A 533 (-2.4A)
 1.11A 2g72B-1xocA:
undetectable		 2g72B-1xocA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		4 GLY A  48
TYR A  21
ASP A  67
ASP A  93
 None
 1.08A 2g72B-1y8cA:
15.7		 2g72B-1y8cA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y9u PUTATIVE IRON
BINDING PROTEIN

(Bordetella
pertussis) 		PF13343
(SBP_bac_6) 		4 GLY A 178
TYR A 143
ASP A 181
ASP A 212
 None
 1.08A 2g72B-1y9uA:
undetectable		 2g72B-1y9uA:
22.57
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  20
TYR A  25
GLY A  65
TYR A  69
ASP A  85
ASN A  90
ASP A 142
 SAH  A4001 (-4.2A)
SAH  A4001 (-4.4A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.4A)
SAH  A4001 (-2.7A)
SAH  A4001 (-3.9A)
SAH  A4001 (-3.7A)
 0.30A 2g72B-2a14A:
36.8		 2g72B-2a14A:
35.56
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) 		4 TYR A  24
ASP A  85
ASN A  90
ASP A 142
 None
SAH  A4001 (-2.7A)
SAH  A4001 (-3.9A)
SAH  A4001 (-3.7A)
 1.08A 2g72B-2a14A:
36.8		 2g72B-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.
2d5w PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF00496
(SBP_bac_5) 		4 TYR A 563
GLY A 576
TYR A 249
ASN A 578
 None
 1.02A 2g72B-2d5wA:
undetectable		 2g72B-2d5wA:
20.36
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.
2ekc TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Aquifex
aeolicus) 		PF00290
(Trp_syntA) 		4 TYR A  22
GLY A  51
TYR A 102
ASP A  29
 None
 1.08A 2g72B-2ekcA:
undetectable		 2g72B-2ekcA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		4 TYR A  79
GLY A 134
ASN A 132
ASP A 168
 None
 1.10A 2g72B-2f5xA:
undetectable		 2g72B-2f5xA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ge7 NUCLEOCAPSID PROTEIN

(Avian
coronavirus) 		PF00937
(Corona_nucleoca) 		4 GLY A  30
ASP A 107
ASN A  34
ASP A 103
 None
 1.06A 2g72B-2ge7A:
undetectable		 2g72B-2ge7A:
17.30
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) 		7 TYR A  21
TYR A  26
GLY A  66
TYR A  70
ASP A  86
ASN A  91
ASP A 143
 SAH  A4001 (-4.5A)
SAH  A4001 (-4.4A)
SAH  A4001 (-3.2A)
SAH  A4001 (-4.3A)
SAH  A4001 (-2.9A)
SAH  A4001 (-3.9A)
SAH  A4001 (-4.0A)
 0.33A 2g72B-2i62A:
37.0		 2g72B-2i62A:
37.23
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) 		4 TYR A  25
ASP A  86
ASN A  91
ASP A 143
 None
SAH  A4001 (-2.9A)
SAH  A4001 (-3.9A)
SAH  A4001 (-4.0A)
 1.03A 2g72B-2i62A:
37.0		 2g72B-2i62A:
37.23
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) 		4 TYR A  25
ASP A  86
ASN A  91
ASP A 143
 None
SAH  A4001 (-2.9A)
SAH  A4001 (-3.9A)
SAH  A4001 (-4.0A)
 1.04A 2g72B-2i62A:
37.0		 2g72B-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) 		7 TYR A  20
TYR A  25
GLY A  65
TYR A  69
ASP A  85
ASN A  90
ASP A 142
 SAH  A4001 (-4.6A)
SAH  A4001 (-4.4A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.6A)
SAH  A4001 (-2.6A)
SAH  A4001 (-4.0A)
SAH  A4001 (-3.7A)
 0.36A 2g72B-2iipA:
36.7		 2g72B-2iipA:
36.90
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) 		4 TYR A  24
ASP A  85
ASN A  90
ASP A 142
 None
SAH  A4001 (-2.6A)
SAH  A4001 (-4.0A)
SAH  A4001 (-3.7A)
 1.06A 2g72B-2iipA:
36.7		 2g72B-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 2g72B-2j7aA:
undetectable		 2g72B-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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		4 GLY A 730
ASP A 766
ASN A 727
ASP A 763
 None
 1.04A 2g72B-2pggA:
undetectable		 2g72B-2pggA:
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.
2pxx UNCHARACTERIZED
PROTEIN MGC2408

(Homo sapiens) 		PF08241
(Methyltransf_11) 		4 TYR A  39
GLY A  68
ASP A  88
ASP A 113
 None
SAH  A 301 ( 3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.1A)
 1.05A 2g72B-2pxxA:
13.6		 2g72B-2pxxA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		4 TYR A  26
GLY A  86
ASP A 110
ASP A 135
 SAM  A 400 ( 3.8A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.4A)
 0.59A 2g72B-2qe6A:
13.3		 2g72B-2qe6A:
25.17
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.
2vp1 PERIPLASMIC
IRON-BINDING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		4 GLY A  80
ASP A  81
ASN A  37
ASP A 276
 None
 1.00A 2g72B-2vp1A:
undetectable		 2g72B-2vp1A:
22.45
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		4 GLY A 912
TYR A 841
ASN A 913
ASP A 947
 None
 1.08A 2g72B-2x2iA:
undetectable		 2g72B-2x2iA:
13.61
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.
2xka FTSZ/TUBULIN-RELATED
PROTEIN

(Bacillus
thuringiensis) 		PF00091
(Tubulin) 		4 GLY A 361
TYR A 321
ASP A 362
ASP A 332
 None
 1.01A 2g72B-2xkaA:
2.5		 2g72B-2xkaA:
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.
2zbm PROTEIN-TYROSINE-PHO
SPHATASE

(Shewanella sp.) 		PF00149
(Metallophos) 		4 GLY A  10
ASP A   9
ASN A 123
ASP A 167
 None
 1.03A 2g72B-2zbmA:
undetectable		 2g72B-2zbmA:
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.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		4 GLY A 299
TYR A 356
ASN A 302
ASP A 383
 ANP  A   1 (-2.8A)
None
ANP  A   1 (-4.0A)
None
 1.03A 2g72B-3aarA:
undetectable		 2g72B-3aarA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3acp WD REPEAT-CONTAINING
PROTEIN YGL004C

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 GLY A 297
TYR A 339
ASN A 298
ASP A 236
 None
 1.06A 2g72B-3acpA:
undetectable		 2g72B-3acpA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2g72B-3c60B:
undetectable		 2g72B-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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		4 GLY A  42
TYR A  19
ASP A  60
ASP A  86
 None
 0.86A 2g72B-3d2lA:
14.7		 2g72B-3d2lA:
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.
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
 1.08A 2g72B-3d36A:
undetectable		 2g72B-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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		4 GLY A  52
TYR A  28
ASP A  72
ASP A 100
 SAM  A 220 (-3.2A)
SAM  A 220 (-4.5A)
SAM  A 220 (-2.9A)
SAM  A 220 (-3.2A)
 0.85A 2g72B-3dlcA:
12.8		 2g72B-3dlcA:
23.73
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.
3dv9 BETA-PHOSPHOGLUCOMUT
ASE

(Bacteroides
vulgatus) 		PF13419
(HAD_2) 		4 TYR A  59
GLY A  29
ASN A 187
ASP A 229
 EDO  A 303 (-4.8A)
MG  A 301 ( 4.6A)
MG  A 301 (-2.7A)
None
 1.08A 2g72B-3dv9A:
2.1		 2g72B-3dv9A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.82A 2g72B-3g5tA:
12.7		 2g72B-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.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		4 TYR A  27
GLY A  87
ASP A 111
ASP A 138
 SAH  A 277 (-4.3A)
SAH  A 277 (-3.1A)
SAH  A 277 (-2.7A)
SAH  A 277 (-3.5A)
 0.67A 2g72B-3go4A:
12.9		 2g72B-3go4A:
25.16
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		4 GLY A 152
ASP A 153
ASN A 151
ASP A 131
 None
 1.04A 2g72B-3gyxA:
undetectable		 2g72B-3gyxA:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ifr CARBOHYDRATE KINASE,
FGGY

(Rhodospirillum
rubrum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 TYR A 295
GLY A 131
TYR A 288
ASP A 122
 None
 1.05A 2g72B-3ifrA:
undetectable		 2g72B-3ifrA:
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 TYR A 182
GLY A 126
ASN A 123
ASP A  79
 None
 0.84A 2g72B-3ooqA:
undetectable		 2g72B-3ooqA:
23.63
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.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
luridus) 		PF13649
(Methyltransf_25) 		4 TYR A  22
GLY A  56
ASP A  75
ASP A  98
 SAM  A 300 (-4.4A)
SAM  A 300 (-3.1A)
SAM  A 300 (-2.8A)
SAM  A 300 (-4.0A)
 0.55A 2g72B-3ou6A:
17.2		 2g72B-3ou6A:
25.90
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.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 4 GLY A  90
TYR A  87
ASP A  91
ASN A  64
 None
 1.10A 2g72B-3p4gA:
undetectable		 2g72B-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
 1.10A 2g72B-3piqH:
undetectable		 2g72B-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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 4 GLY A 518
TYR A 222
ASP A 546
ASP A 388
 None
 1.09A 2g72B-3q3hA:
undetectable		 2g72B-3q3hA:
17.78
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.
3qvu SULFOTRANSFERASE 1A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 TYR A  46
TYR A 139
GLY A 165
TYR A 143
 None
 1.07A 2g72B-3qvuA:
undetectable		 2g72B-3qvuA:
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.
3rq1 AMINOTRANSFERASE
CLASS I AND II

(Veillonella
parvula) 		PF00155
(Aminotran_1_2) 		4 TYR A 352
GLY A 186
TYR A 328
ASP A 198
 None
 1.10A 2g72B-3rq1A:
undetectable		 2g72B-3rq1A:
20.71
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		4 TYR A 213
GLY A 140
TYR A 166
ASP A 368
 None
None
PHE  A 400 (-3.8A)
None
 0.97A 2g72B-3td9A:
undetectable		 2g72B-3td9A:
21.93
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		4 GLY A  14
TYR A  85
ASP A  13
ASN A  72
 None
 1.11A 2g72B-4aovA:
undetectable		 2g72B-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.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		4 TYR A 144
TYR A 143
ASP A 468
ASP A 348
 None
PEG  A1559 ( 4.7A)
None
None
 1.09A 2g72B-4be9A:
undetectable		 2g72B-4be9A:
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 TYR V 888
GLY V 894
TYR V 942
ASP V 909
 None
None
None
CA  V2431 (-3.3A)
 0.96A 2g72B-4bxsV:
undetectable		 2g72B-4bxsV:
11.46
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.
4cmw DITERPENE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 4 GLY A 162
ASP A 214
ASN A 163
ASP A  34
 None
None
None
PEG  A1299 ( 3.6A)
 0.94A 2g72B-4cmwA:
undetectable		 2g72B-4cmwA:
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.
4fiu HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 TYR A  12
TYR A 350
GLY A 318
ASP A  22
 None
 1.10A 2g72B-4fiuA:
undetectable		 2g72B-4fiuA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fmu HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD2

(Homo sapiens) 		PF00856
(SET) 		4 TYR A1579
GLY A1581
ASN A1479
ASP A1585
 0UM  A1804 (-4.5A)
None
None
None
 1.10A 2g72B-4fmuA:
undetectable		 2g72B-4fmuA:
21.73
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.
4mt4 CMEC

(Campylobacter
jejuni) 		PF02321
(OEP) 		4 TYR A  14
GLY A 263
ASN A  18
ASP A 259
 None
 1.04A 2g72B-4mt4A:
undetectable		 2g72B-4mt4A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		4 TYR A  32
GLY A  62
ASP A  82
ASP A 107
 None
SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
 1.06A 2g72B-4mwzA:
14.5		 2g72B-4mwzA:
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.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		4 GLY A 305
ASP A 302
ASN A 501
ASP A 299
 None
 1.06A 2g72B-4mzdA:
undetectable		 2g72B-4mzdA:
19.47
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.
4pp1 HEAVY CHAIN OF FAB
FRAGMENT OF MAB 5H8

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR D 105
GLY D  33
TYR D 102
ASP D  72
 None
 1.05A 2g72B-4pp1D:
undetectable		 2g72B-4pp1D:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		4 TYR B  22
GLY B  57
ASP B  77
ASP B  99
 SAM  B 301 (-4.6A)
SAM  B 301 (-3.3A)
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
 0.61A 2g72B-4qtuB:
13.3		 2g72B-4qtuB:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		4 TYR A  35
GLY A  65
ASP A  85
ASP A 110
 None
SAH  A 302 (-3.6A)
SAH  A 302 (-2.6A)
SAH  A 302 (-3.6A)
 1.02A 2g72B-4r6wA:
15.7		 2g72B-4r6wA:
20.70
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.
4rjw PORIN O

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		4 GLY A 399
ASP A 400
ASN A 398
ASP A 404
 None
 1.06A 2g72B-4rjwA:
undetectable		 2g72B-4rjwA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 4 TYR B 211
GLY B 200
TYR B 215
ASN B 270
 None
 1.06A 2g72B-4tqoB:
undetectable		 2g72B-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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 GLY A 432
TYR A 142
ASP A 430
ASN A 133
 None
 0.81A 2g72B-4z2aA:
undetectable		 2g72B-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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 GLY A 594
ASP A 591
ASN A 593
ASP A 651
 None
 0.84A 2g72B-4zr5A:
undetectable		 2g72B-4zr5A:
15.49
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.
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
 1.00A 2g72B-4ztpH:
undetectable		 2g72B-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
 1.09A 2g72B-5aebA:
undetectable		 2g72B-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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		4 TYR A 188
GLY A  33
TYR A  75
ASP A 245
 None
 0.97A 2g72B-5egeA:
undetectable		 2g72B-5egeA:
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 GLY A 203
TYR A 207
ASP A 224
ASP A 251
 None
None
EDO  A 504 (-4.0A)
EDO  A 504 (-3.8A)
 1.01A 2g72B-5i2hA:
13.4		 2g72B-5i2hA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iva LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF04453
(OstA_C)
PF04390
(LptE) 		4 GLY B  72
ASP A 536
ASN A 535
ASP B 111
 None
 1.02A 2g72B-5ivaB:
undetectable		 2g72B-5ivaB:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE

(Aspergillus
flavus) 		PF00743
(FMO-like) 		4 TYR A  69
GLY A 447
ASN A 446
ASP A 456
 FAD  A 601 (-3.9A)
FAD  A 601 (-3.3A)
FAD  A 601 (-4.9A)
None
 0.93A 2g72B-5j7xA:
undetectable		 2g72B-5j7xA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		4 GLY A  49
TYR A  25
ASP A  70
ASP A  96
 SAH  A 301 (-3.3A)
SAH  A 301 (-4.5A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.5A)
 0.97A 2g72B-5m58A:
13.0		 2g72B-5m58A:
24.84
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.
5mgz 8-DEMETHYLNOVOBIOCIC
ACID
C(8)-METHYLTRANSFERA
SE

(Streptomyces
niveus) 		PF13649
(Methyltransf_25) 		4 GLY A  49
TYR A  25
ASP A  70
ASP A  96
 SAH  A 301 (-3.4A)
SAH  A 301 (-4.5A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.5A)
 0.97A 2g72B-5mgzA:
13.1		 2g72B-5mgzA:
24.83
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.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		4 TYR A 148
GLY A 192
TYR A 128
ASP A 222
 None
 1.11A 2g72B-5mifA:
2.0		 2g72B-5mifA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nb9 RNA CHAPERONE PROQ

(Escherichia
coli) 		PF04352
(ProQ) 		4 GLY A 103
ASP A  96
ASN A 100
ASP A  58
 None
 1.01A 2g72B-5nb9A:
undetectable		 2g72B-5nb9A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o77 OMPK35

(Klebsiella
pneumoniae) 		no annotation 4 GLY A 180
TYR A 220
ASN A 179
ASP A 143
 None
 1.02A 2g72B-5o77A:
undetectable		 2g72B-5o77A:
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.
5swk DE NOVO PROTEIN
BASED ON THE
INHIBITOR
AMOEBIASIN-1

(Entamoeba
histolytica) 		no annotation 4 TYR C  82
TYR C  64
GLY C  31
TYR C  48
 None
 1.09A 2g72B-5swkC:
undetectable		 2g72B-5swkC:
15.58
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.
5u6b TYROSINE-PROTEIN
KINASE RECEPTOR UFO

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 GLY A 692
TYR A 726
ASP A 690
ASP A 627
 None
None
None
7YS  A9001 (-3.5A)
 0.90A 2g72B-5u6bA:
undetectable		 2g72B-5u6bA:
19.35
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.
5usc PREPHENATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF02153
(PDH) 		4 GLY A 177
TYR A 155
ASP A  36
ASP A  38
 None
 1.09A 2g72B-5uscA:
3.5		 2g72B-5uscA:
20.36
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
 1.08A 2g72B-5x1nA:
undetectable		 2g72B-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.
5xvh 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING PROTEIN

(Pyrobaculum
calidifontis) 		no annotation 4 TYR A 159
GLY A 137
ASP A 117
ASP A  99
 None
 1.08A 2g72B-5xvhA:
3.4		 2g72B-5xvhA:
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.
5yrp SENSORY BOX/RESPONSE
REGULATOR

(Mycolicibacterium
smegmatis) 		no annotation 4 GLY A 541
ASP A 542
ASN A 539
ASP A 529
 None
 0.95A 2g72B-5yrpA:
undetectable		 2g72B-5yrpA:
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
 0.77A 2g72B-6d3uA:
undetectable		 2g72B-6d3uA:
undetectable