SIMILAR PATTERNS OF AMINO ACIDS FOR 5UMD_A_YMZA3801_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.
1a14 NC10 FV (HEAVY
CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 ASN H  76
ALA H  24
PRO H  52
TYR H  27
 None
 1.15A 5umd2-1a14H:
0.0
5umdF-1a14H:
0.0		 5umd2-1a14H:
19.13
5umdF-1a14H:
20.97
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.
1ad9 IGG CTM01 FAB (HEAVY
CHAIN)

(Homo sapiens) 		no annotation 4 ASN H  76
ALA H  24
PRO H  52
TYR H  27
 None
 1.05A 5umd2-1ad9H:
0.0
5umdF-1ad9H:
0.0		 5umd2-1ad9H:
17.04
5umdF-1ad9H:
15.84
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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 ASN A 170
PRO A  49
VAL A 171
ASP A 304
 None
 1.16A 5umd2-1b41A:
0.0
5umdF-1b41A:
0.0		 5umd2-1b41A:
10.28
5umdF-1b41A:
10.18
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.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		4 ASN A 170
PRO A  49
VAL A 171
ASP A 304
 None
 1.14A 5umd2-1c2oA:
0.0
5umdF-1c2oA:
undetectable		 5umd2-1c2oA:
10.75
5umdF-1c2oA:
10.51
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.
1cgs IGG2B-KAPPA NC6.8
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  77
ALA H  24
PRO H  53
TYR H  27
 None
 1.07A 5umd2-1cgsH:
undetectable
5umdF-1cgsH:
undetectable		 5umd2-1cgsH:
17.82
5umdF-1cgsH:
16.58
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.
1eo8 ANTIBODY (HEAVY
CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  76
ALA H  24
PRO H  52
TYR H  27
 None
 1.07A 5umd2-1eo8H:
0.0
5umdF-1eo8H:
0.0		 5umd2-1eo8H:
15.42
5umdF-1eo8H:
15.21
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.
1i31 CLATHRIN COAT
ASSEMBLY PROTEIN
AP50

(Rattus
norvegicus) 		PF00928
(Adap_comp_sub) 		4 ASN A 182
PRO A 396
VAL A 196
TYR A 431
 None
 1.10A 5umd2-1i31A:
0.0
5umdF-1i31A:
0.0		 5umd2-1i31A:
13.22
5umdF-1i31A:
14.71
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.
1i5p PESTICIDIAL CRYSTAL
PROTEIN CRY2AA

(Bacillus
thuringiensis) 		PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N)
PF09131
(Endotoxin_mid) 		4 ASN A   3
ALA A 476
VAL A   4
TYR A 475
 None
 1.22A 5umd2-1i5pA:
0.0
5umdF-1i5pA:
0.0		 5umd2-1i5pA:
7.89
5umdF-1i5pA:
7.51
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.
1io1 PHASE 1 FLAGELLIN

(Salmonella
enterica) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C)
PF08884
(Flagellin_D3) 		4 ASN A 285
ALA A 284
VAL A 187
TYR A 190
 None
 1.22A 5umd2-1io1A:
0.0
5umdF-1io1A:
0.0		 5umd2-1io1A:
13.45
5umdF-1io1A:
10.99
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.
1jhz PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		4 ASN A 276
PRO A 323
ASP A 248
TYR A 274
 None
 1.06A 5umd2-1jhzA:
undetectable
5umdF-1jhzA:
undetectable		 5umd2-1jhzA:
12.46
5umdF-1jhzA:
14.58
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.
1n47 ISOLECTIN B4

(Vicia villosa) 		PF00139
(Lectin_legB) 		4 ASN A  27
ALA A  29
PRO A  13
VAL A  26
 None
 1.16A 5umd2-1n47A:
undetectable
5umdF-1n47A:
undetectable		 5umd2-1n47A:
16.96
5umdF-1n47A:
16.99
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.
1n5d CARBONYL
REDUCTASE/20BETA-HYD
ROXYSTEROID
DEHYDROGENASE

(Sus scrofa) 		PF00106
(adh_short) 		4 ASN A 136
ALA A 224
PRO A 250
VAL A 135
 None
 1.13A 5umd2-1n5dA:
undetectable
5umdF-1n5dA:
undetectable		 5umd2-1n5dA:
12.46
5umdF-1n5dA:
14.84
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.
1ons CHAPERONE PROTEIN
HCHA

(Escherichia
coli) 		no annotation 4 ASN A  16
ALA A  17
PRO A 223
ASP A  15
 None
 1.12A 5umd2-1onsA:
undetectable
5umdF-1onsA:
undetectable		 5umd2-1onsA:
12.77
5umdF-1onsA:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q0y FAB 9B1, HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  76
ALA H  24
PRO H  52
TYR H  27
 None
 1.05A 5umd2-1q0yH:
undetectable
5umdF-1q0yH:
undetectable		 5umd2-1q0yH:
15.67
5umdF-1q0yH:
15.84
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.
1rih HEAVY CHAIN OF
ANTIBODY 14F7

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  76
ALA H  24
PRO H  52
TYR H  27
 None
 1.17A 5umd2-1rihH:
undetectable
5umdF-1rihH:
undetectable		 5umd2-1rihH:
16.67
5umdF-1rihH:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rpn GDP-MANNOSE
4,6-DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF16363
(GDP_Man_Dehyd) 		4 ASN A  80
ALA A 124
VAL A 105
TYR A 122
 None
NDP  A1501 (-3.0A)
None
None
 1.22A 5umd2-1rpnA:
undetectable
5umdF-1rpnA:
undetectable		 5umd2-1rpnA:
12.54
5umdF-1rpnA:
14.06
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.
1sv6 2-KETO-4-PENTENOATE
HYDRATASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		4 ASN A 240
ALA A 241
PRO A 102
VAL A 239
 None
 0.99A 5umd2-1sv6A:
undetectable
5umdF-1sv6A:
undetectable		 5umd2-1sv6A:
13.01
5umdF-1sv6A:
16.29
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.
1typ TRYPANOTHIONE
REDUCTASE

(Crithidia
fasciculata) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ASN A 132
ALA A 299
VAL A 319
ASP A 131
 None
 1.16A 5umd2-1typA:
undetectable
5umdF-1typA:
undetectable		 5umd2-1typA:
10.68
5umdF-1typA:
9.28
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.
1um2 ENDONUCLEASE PI-SCEI

(Saccharomyces
cerevisiae) 		PF05203
(Hom_end_hint)
PF05204
(Hom_end) 		4 ASN A 647
ALA A 648
PRO A 351
VAL A 646
 None
 1.14A 5umd2-1um2A:
undetectable
5umdF-1um2A:
undetectable		 5umd2-1um2A:
11.21
5umdF-1um2A:
11.51
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.
1uok OLIGO-1,6-GLUCOSIDAS
E

(Bacillus cereus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASN A  61
PRO A  16
ASP A  60
TYR A  63
 None
 1.20A 5umd2-1uokA:
undetectable
5umdF-1uokA:
undetectable		 5umd2-1uokA:
9.57
5umdF-1uokA:
8.24
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.
1wy2 XAA-PRO DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ALA A  26
PRO A  39
VAL A  31
TYR A  44
 None
 1.18A 5umd2-1wy2A:
undetectable
5umdF-1wy2A:
undetectable		 5umd2-1wy2A:
16.23
5umdF-1wy2A:
13.88
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.
2afh NITROGENASE
MOLYBDENUM-IRON
PROTEIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro)
PF11844
(DUF3364) 		4 ASN B 286
ALA B 287
VAL B 218
ASP B 283
 None
None
TRS  B5003 (-4.6A)
None
 1.19A 5umd2-2afhB:
undetectable
5umdF-2afhB:
undetectable		 5umd2-2afhB:
10.23
5umdF-2afhB:
9.71
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.
2bej SEGREGATION PROTEIN

(Thermus
thermophilus) 		PF13614
(AAA_31) 		4 ASN A  48
ALA A  49
PRO A 216
ASP A  44
 None
None
ADP  A 500 ( 4.9A)
None
 1.22A 5umd2-2bejA:
undetectable
5umdF-2bejA:
undetectable		 5umd2-2bejA:
14.73
5umdF-2bejA:
14.17
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.
2bp5 CLATHRIN COAT
ASSEMBLY PROTEIN
AP50

(Rattus
norvegicus) 		PF00928
(Adap_comp_sub) 		4 ASN M 182
PRO M 396
VAL M 196
TYR M 431
 None
 1.10A 5umd2-2bp5M:
undetectable
5umdF-2bp5M:
undetectable		 5umd2-2bp5M:
11.78
5umdF-2bp5M:
11.45
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 ASN A 213
ALA A 404
ASP A 406
TYR A 214
 None
 1.18A 5umd2-2eaeA:
undetectable
5umdF-2eaeA:
undetectable		 5umd2-2eaeA:
6.79
5umdF-2eaeA:
6.46
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.
2gtx METHIONINE
AMINOPEPTIDASE

(Escherichia
coli) 		PF00557
(Peptidase_M24) 		4 ASN A 208
ALA A 209
VAL A 207
ASP A 227
 None
 1.17A 5umd2-2gtxA:
undetectable
5umdF-2gtxA:
undetectable		 5umd2-2gtxA:
14.62
5umdF-2gtxA:
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.
2hrb CARBONYL REDUCTASE
[NADPH] 3

(Homo sapiens) 		PF00106
(adh_short) 		4 ASN A 137
ALA A 225
PRO A 251
VAL A 136
 None
 1.18A 5umd2-2hrbA:
undetectable
5umdF-2hrbA:
undetectable		 5umd2-2hrbA:
14.13
5umdF-2hrbA:
13.74
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.
2l0b E3 UBIQUITIN-PROTEIN
LIGASE PRAJA-1

(Homo sapiens) 		PF13639
(zf-RING_2) 		4 ALA A  56
VAL A  70
ASP A  54
TYR A  50
 None
 1.16A 5umd2-2l0bA:
undetectable
5umdF-2l0bA:
undetectable		 5umd2-2l0bA:
20.00
5umdF-2l0bA:
22.92
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.
2o04 PECTATE LYASE

(Bacillus
subtilis) 		PF00544
(Pec_lyase_C) 		4 ASN A 144
ALA A 162
VAL A 121
ASP A 184
 None
None
None
CA  A 402 (-2.1A)
 1.15A 5umd2-2o04A:
undetectable
5umdF-2o04A:
undetectable		 5umd2-2o04A:
12.21
5umdF-2o04A:
14.02
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.
2p7n PATHOGENICITY ISLAND
1 EFFECTOR PROTEIN

(Chromobacterium
violaceum) 		PF06511
(IpaD) 		4 ASN A 370
ALA A 371
PRO A 154
TYR A 200
 None
 1.09A 5umd2-2p7nA:
undetectable
5umdF-2p7nA:
undetectable		 5umd2-2p7nA:
10.81
5umdF-2p7nA:
10.98
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.
2pa5 TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 9

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 ASN A 370
ALA A 371
PRO A 509
ASP A 364
 None
 1.22A 5umd2-2pa5A:
undetectable
5umdF-2pa5A:
undetectable		 5umd2-2pa5A:
13.55
5umdF-2pa5A:
14.93
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.
2q8q IRON-REGULATED
SURFACE DETERMINANT
E

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		4 ASN A 199
PRO A 167
VAL A 169
ASP A 184
 None
 1.18A 5umd2-2q8qA:
undetectable
5umdF-2q8qA:
undetectable		 5umd2-2q8qA:
18.70
5umdF-2q8qA:
17.23
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.
2uwi CRME PROTEIN

(Vaccinia virus) 		PF00020
(TNFR_c6) 		4 ASN A 117
ALA A 113
VAL A 119
ASP A 115
 None
 1.20A 5umd2-2uwiA:
undetectable
5umdF-2uwiA:
undetectable		 5umd2-2uwiA:
19.01
5umdF-2uwiA:
15.97
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.
2v9p REPLICATION PROTEIN
E1

(Deltapapillomavirus
4) 		PF00519
(PPV_E1_C) 		4 ASN A 494
ALA A 495
VAL A 501
ASP A 497
 None
 1.16A 5umd2-2v9pA:
undetectable
5umdF-2v9pA:
undetectable		 5umd2-2v9pA:
13.11
5umdF-2v9pA:
14.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vk2 ABC TRANSPORTER
PERIPLASMIC-BINDING
PROTEIN YTFQ

(Escherichia
coli) 		PF13407
(Peripla_BP_4) 		4 ASN A  22
ALA A  19
VAL A  23
TYR A 297
 None
 1.23A 5umd2-2vk2A:
undetectable
5umdF-2vk2A:
undetectable		 5umd2-2vk2A:
14.05
5umdF-2vk2A:
16.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xsb HYALURONOGLUCOSAMINI
DASE

(Oceanicola
granulosus) 		PF07555
(NAGidase) 		5 ASN A 225
ALA A 224
PRO A 319
ASP A 226
TYR A 227
 None
GDL  A1436 ( 3.9A)
None
GDL  A1436 (-3.0A)
GDL  A1436 (-4.8A)
 1.46A 5umd2-2xsbA:
undetectable
5umdF-2xsbA:
undetectable		 5umd2-2xsbA:
9.01
5umdF-2xsbA:
12.04
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		4 ASN A 324
ALA A 325
PRO A 322
TYR A 347
 None
 1.20A 5umd2-2xsgA:
undetectable
5umdF-2xsgA:
undetectable		 5umd2-2xsgA:
6.16
5umdF-2xsgA:
7.11
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.
2zch MONOCLONAL ANTIBODY
8G8F5 FAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  76
ALA H  24
PRO H  52
TYR H  27
 None
 1.03A 5umd2-2zchH:
undetectable
5umdF-2zchH:
undetectable		 5umd2-2zchH:
16.51
5umdF-2zchH:
13.97
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.
2zjs FAB56 (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  77
ALA H  24
PRO H  53
TYR H  27
 None
 1.07A 5umd2-2zjsH:
undetectable
5umdF-2zjsH:
undetectable		 5umd2-2zjsH:
18.14
5umdF-2zjsH:
16.74
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.
3bhi CARBONYL REDUCTASE
[NADPH] 1

(Homo sapiens) 		PF00106
(adh_short) 		4 ASN A 136
ALA A 224
PRO A 250
VAL A 135
 None
 1.05A 5umd2-3bhiA:
undetectable
5umdF-3bhiA:
undetectable		 5umd2-3bhiA:
13.77
5umdF-3bhiA:
14.75
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.
3chm COP9 SIGNALOSOME
COMPLEX SUBUNIT 7

(Arabidopsis
thaliana) 		PF01399
(PCI) 		4 ASN A  80
ALA A  81
PRO A  85
TYR A  77
 None
 1.19A 5umd2-3chmA:
undetectable
5umdF-3chmA:
undetectable		 5umd2-3chmA:
20.24
5umdF-3chmA:
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.
3eo9 EFALIZUMAB FAB
FRAGMENT, HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  77
ALA H  24
PRO H  53
TYR H  27
 None
 1.05A 5umd2-3eo9H:
undetectable
5umdF-3eo9H:
undetectable		 5umd2-3eo9H:
20.43
5umdF-3eo9H:
17.14
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 ASN A 436
ALA A 437
PRO A 254
ASP A 434
 None
 1.19A 5umd2-3fddA:
undetectable
5umdF-3fddA:
undetectable		 5umd2-3fddA:
10.69
5umdF-3fddA:
9.01
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.
3gwi MAGNESIUM-TRANSPORTI
NG ATPASE, P-TYPE 1

(Escherichia
coli) 		PF13246
(Cation_ATPase) 		4 ASN A 406
ALA A 403
VAL A 466
ASP A 418
 None
 1.06A 5umd2-3gwiA:
undetectable
5umdF-3gwiA:
undetectable		 5umd2-3gwiA:
15.79
5umdF-3gwiA:
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.
3it7 PROTEASE LASA

(Pseudomonas
aeruginosa) 		PF01551
(Peptidase_M23) 		4 ASN A 153
PRO A  19
ASP A 152
TYR A 158
 None
 1.14A 5umd2-3it7A:
undetectable
5umdF-3it7A:
undetectable		 5umd2-3it7A:
18.93
5umdF-3it7A:
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.
3izy TRANSLATION
INITIATION FACTOR
IF-2, MITOCHONDRIAL

(Bos taurus) 		PF00009
(GTP_EFTU)
PF11987
(IF-2) 		4 ASN P 533
ALA P 530
VAL P 534
ASP P 278
 None
 1.14A 5umd2-3izyP:
undetectable
5umdF-3izyP:
undetectable		 5umd2-3izyP:
9.76
5umdF-3izyP:
9.09
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.
3ks7 PUTATIVE PUTATIVE
PNGASE F

(Bacteroides
fragilis) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		4 ASN A 185
ALA A  92
PRO A 157
VAL A 186
 None
 1.17A 5umd2-3ks7A:
undetectable
5umdF-3ks7A:
undetectable		 5umd2-3ks7A:
13.73
5umdF-3ks7A:
12.31
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.
3ml6 CHIMERIC COMPLEX
BETWEEN PROTEIN
DISHEVLLED2 HOMOLOG
DVL-2 AND CLATHRIN
ADAPTOR AP-2 COMPLEX
SUBUNIT MU

(Mus musculus;
Rattus
norvegicus) 		PF00610
(DEP)
PF00928
(Adap_comp_sub) 		4 ASN A1182
PRO A1396
VAL A1196
TYR A1431
 None
 1.18A 5umd2-3ml6A:
undetectable
5umdF-3ml6A:
undetectable		 5umd2-3ml6A:
12.85
5umdF-3ml6A:
12.54
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.
3ntc FAB HEAVY CHAIN

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  76
ALA H  24
PRO H  52
TYR H  27
 EDO  H 222 (-2.7A)
None
None
None
 1.14A 5umd2-3ntcH:
undetectable
5umdF-3ntcH:
undetectable		 5umd2-3ntcH:
17.41
5umdF-3ntcH:
15.94
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.
3ox4 ALCOHOL
DEHYDROGENASE 2

(Zymomonas
mobilis) 		PF00465
(Fe-ADH) 		4 ASN A 281
ALA A 282
PRO A 286
ASP A 194
 FE2  A 501 ( 4.3A)
None
None
FE2  A 501 (-2.2A)
 1.09A 5umd2-3ox4A:
undetectable
5umdF-3ox4A:
undetectable		 5umd2-3ox4A:
11.26
5umdF-3ox4A:
13.35
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.
3p3v PTS SYSTEM,
N-ACETYLGALACTOSAMIN
E-SPECIFIC IIB
COMPONENT

(Streptococcus
pyogenes) 		PF03830
(PTSIIB_sorb) 		4 ASN A  36
ALA A  35
VAL A  39
ASP A  89
 PEG  A 202 ( 4.1A)
None
None
None
 1.13A 5umd2-3p3vA:
undetectable
5umdF-3p3vA:
undetectable		 5umd2-3p3vA:
20.62
5umdF-3p3vA:
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.
3q6t 43.2 KDA SALIVARY
PROTEIN

(Lutzomyia
longipalpis) 		PF03022
(MRJP) 		4 ASN A  75
ALA A  56
VAL A  58
TYR A  13
 None
 1.22A 5umd2-3q6tA:
undetectable
5umdF-3q6tA:
undetectable		 5umd2-3q6tA:
12.16
5umdF-3q6tA:
11.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qv2 5-CYTOSINE DNA
METHYLTRANSFERASE

(Entamoeba
histolytica) 		PF00145
(DNA_methylase) 		4 ALA A 100
PRO A  79
ASP A  97
TYR A  84
 None
 1.06A 5umd2-3qv2A:
undetectable
5umdF-3qv2A:
undetectable		 5umd2-3qv2A:
14.20
5umdF-3qv2A:
13.28
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.
3rfn BB_1WNU_001

(Pyrococcus
horikoshii) 		no annotation 4 ALA A 115
VAL A 113
ASP A  92
TYR A  91
 None
 1.20A 5umd2-3rfnA:
undetectable
5umdF-3rfnA:
undetectable		 5umd2-3rfnA:
17.07
5umdF-3rfnA:
15.62
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.
3sg1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
anthracis) 		PF00275
(EPSP_synthase) 		4 ALA A  94
PRO A 114
VAL A  89
ASP A  50
 None
 0.92A 5umd2-3sg1A:
undetectable
5umdF-3sg1A:
undetectable		 5umd2-3sg1A:
10.94
5umdF-3sg1A:
11.54
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.
3swd UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		4 ALA A  92
PRO A 112
VAL A  87
ASP A  49
 EPZ  A 501 ( 4.0A)
None
None
None
 0.90A 5umd2-3swdA:
undetectable
5umdF-3swdA:
undetectable		 5umd2-3swdA:
11.55
5umdF-3swdA:
12.47
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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		4 ALA A  94
PRO A 114
VAL A  89
ASP A  49
 EPZ  A 508 (-3.5A)
None
None
None
 0.98A 5umd2-3sweA:
undetectable
5umdF-3sweA:
undetectable		 5umd2-3sweA:
13.38
5umdF-3sweA:
13.77
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.
3uaq LBPB B-LOBE

(Moraxella bovis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		4 ASN A 172
ALA A 171
ASP A 341
TYR A 173
 None
 1.03A 5umd2-3uaqA:
undetectable
5umdF-3uaqA:
undetectable		 5umd2-3uaqA:
11.44
5umdF-3uaqA:
12.61
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.
3vcy UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Aliivibrio
fischeri) 		PF00275
(EPSP_synthase) 		4 ALA A  93
PRO A 113
VAL A  88
ASP A  50
 GOL  A 503 (-3.6A)
None
None
None
 0.79A 5umd2-3vcyA:
undetectable
5umdF-3vcyA:
undetectable		 5umd2-3vcyA:
8.84
5umdF-3vcyA:
11.72
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.
4aie GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Lactobacillus
acidophilus) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASN A  60
PRO A  15
ASP A  59
TYR A  62
 None
None
GOL  A1542 (-2.1A)
GOL  A1542 (-3.6A)
 1.16A 5umd2-4aieA:
undetectable
5umdF-4aieA:
undetectable		 5umd2-4aieA:
9.65
5umdF-4aieA:
9.44
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.
4ala FAB 2H12 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  77
ALA H  24
PRO H  53
TYR H  27
 None
 1.04A 5umd2-4alaH:
undetectable
5umdF-4alaH:
undetectable		 5umd2-4alaH:
20.65
5umdF-4alaH:
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.
4b8s ADP-DEPENDENT
GLUCOKINASE

(Thermococcus
litoralis) 		PF04587
(ADP_PFK_GK) 		4 ASN A 214
ALA A 215
VAL A 217
ASP A 211
 None
 1.22A 5umd2-4b8sA:
undetectable
5umdF-4b8sA:
undetectable		 5umd2-4b8sA:
9.96
5umdF-4b8sA:
12.84
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 ALA A 218
PRO A 231
ASP A 214
TYR A 270
 None
 1.05A 5umd2-4bedA:
undetectable
5umdF-4bedA:
undetectable		 5umd2-4bedA:
5.37
5umdF-4bedA:
4.09
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.
4cad ANTIBODY FAB
FRAGMENT HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN B  77
ALA B  24
PRO B  53
TYR B  27
 None
 1.15A 5umd2-4cadB:
undetectable
5umdF-4cadB:
undetectable		 5umd2-4cadB:
15.38
5umdF-4cadB:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f9d POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Escherichia
coli) 		PF01522
(Polysacc_deac_1)
PF14883
(GHL13) 		4 ASN A 256
ALA A 255
PRO A 202
VAL A 205
 None
 1.21A 5umd2-4f9dA:
undetectable
5umdF-4f9dA:
undetectable		 5umd2-4f9dA:
8.67
5umdF-4f9dA:
9.69
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.
4h3t CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Acidimicrobium
ferrooxidans) 		PF09481
(CRISPR_Cse1) 		4 ALA A 395
PRO A 480
VAL A 398
ASP A 392
 None
 1.22A 5umd2-4h3tA:
undetectable
5umdF-4h3tA:
undetectable		 5umd2-4h3tA:
8.30
5umdF-4h3tA:
10.92
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 ASN A 396
ALA A 395
PRO A 356
VAL A 397
 None
 1.23A 5umd2-4hv4A:
undetectable
5umdF-4hv4A:
undetectable		 5umd2-4hv4A:
9.56
5umdF-4hv4A:
10.66
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.
4iig BETA-GLUCOSIDASE 1

(Aspergillus
aculeatus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ASN A  35
ALA A  34
PRO A 683
TYR A  44
 None
 1.18A 5umd2-4iigA:
undetectable
5umdF-4iigA:
undetectable		 5umd2-4iigA:
6.56
5umdF-4iigA:
6.78
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.
4ki5 MURINE MONOCLONAL
G99 FAB HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN E  77
ALA E  24
PRO E  53
TYR E  27
 ASN  E  77 ( 0.6A)
ALA  E  24 ( 0.0A)
PRO  E  53 ( 1.1A)
TYR  E  27 ( 1.3A)
 1.05A 5umd2-4ki5E:
undetectable
5umdF-4ki5E:
undetectable		 5umd2-4ki5E:
17.39
5umdF-4ki5E:
16.52
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		4 ALA A  30
PRO A  23
VAL A  28
ASP A 288
 None
 1.16A 5umd2-4lmbA:
undetectable
5umdF-4lmbA:
undetectable		 5umd2-4lmbA:
10.56
5umdF-4lmbA:
17.56
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.
4n0r PUTATIVE GLYCOSIDE
HYDROLASE

(Bacteroides
vulgatus) 		PF13204
(DUF4038)
PF16586
(DUF5060) 		4 ALA A 264
VAL A 269
ASP A 299
TYR A 301
 None
 1.18A 5umd2-4n0rA:
undetectable
5umdF-4n0rA:
undetectable		 5umd2-4n0rA:
12.10
5umdF-4n0rA:
10.14
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 ALA A2064
VAL A2066
ASP A2089
TYR A2088
 None
 1.20A 5umd2-4o9xA:
undetectable
5umdF-4o9xA:
undetectable		 5umd2-4o9xA:
3.32
5umdF-4o9xA:
3.30
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.
4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA

(Escherichia
coli;
Mus musculus) 		PF13416
(SBP_bac_8)
PF13621
(Cupin_8) 		4 ASN A  24
ALA A  20
PRO A 199
VAL A  25
 None
 1.21A 5umd2-4qszA:
undetectable
5umdF-4qszA:
undetectable		 5umd2-4qszA:
8.56
5umdF-4qszA:
9.14
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.
4qu2 JMJC
DOMAIN-CONTAINING
PROTEIN 7

(Mus musculus) 		PF13621
(Cupin_8) 		4 ASN A  24
ALA A  20
PRO A 199
VAL A  25
 None
 1.02A 5umd2-4qu2A:
undetectable
5umdF-4qu2A:
undetectable		 5umd2-4qu2A:
11.73
5umdF-4qu2A:
17.77
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.
4r7u UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		4 ALA A  93
PRO A 113
VAL A  88
ASP A  50
 UD1  A 503 ( 4.8A)
None
None
None
 0.82A 5umd2-4r7uA:
undetectable
5umdF-4r7uA:
undetectable		 5umd2-4r7uA:
10.80
5umdF-4r7uA:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4v1r ALPHA-1,6-MANNANASE

(Bacteroides
thetaiotaomicron) 		PF03663
(Glyco_hydro_76) 		4 ASN A 332
PRO A  37
ASP A 330
TYR A 327
 None
 1.03A 5umd2-4v1rA:
undetectable
5umdF-4v1rA:
undetectable		 5umd2-4v1rA:
13.04
5umdF-4v1rA:
12.63
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.
4xb3 GLUCAN
1,6-ALPHA-GLUCOSIDAS
E

(Streptococcus
mutans) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASN A  61
PRO A  16
ASP A  60
TYR A  63
 None
 1.20A 5umd2-4xb3A:
undetectable
5umdF-4xb3A:
undetectable		 5umd2-4xb3A:
9.75
5umdF-4xb3A:
10.64
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.
5b4x LOW DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 8,
APOLIPOPROTEIN E
RECEPTOR, ISOFORM
CRA_E

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		4 ASN B 262
VAL B 261
ASP B 246
TYR B 266
 CA  B5004 (-3.1A)
None
CA  B5004 (-2.5A)
None
 1.23A 5umd2-5b4xB:
undetectable
5umdF-5b4xB:
undetectable		 5umd2-5b4xB:
8.33
5umdF-5b4xB:
7.91
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.
5bq2 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
aeruginosa) 		PF00275
(EPSP_synthase) 		4 ALA A  94
PRO A 114
VAL A  89
ASP A  49
 EPU  A 501 ( 3.7A)
None
None
None
 0.92A 5umd2-5bq2A:
undetectable
5umdF-5bq2A:
undetectable		 5umd2-5bq2A:
10.50
5umdF-5bq2A:
12.62
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.
5do8 LMO0184 PROTEIN

(Listeria
monocytogenes) 		no annotation 4 ASN B  62
PRO B  17
ASP B  61
TYR B  64
 None
None
BGC  B 601 (-2.8A)
BGC  B 601 (-3.8A)
 1.22A 5umd2-5do8B:
undetectable
5umdF-5do8B:
undetectable		 5umd2-5do8B:
9.60
5umdF-5do8B:
8.79
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ASN A 127
ALA A 126
VAL A 128
ASP A 122
 None
 1.21A 5umd2-5erbA:
undetectable
5umdF-5erbA:
undetectable		 5umd2-5erbA:
11.74
5umdF-5erbA:
9.24
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.
5fq8 BT_2262
(UNCHARACTERISED
LIPOPROTEIN)

(Bacteroides
thetaiotaomicron) 		PF16403
(DUF5011)
PF16404
(DUF5012) 		4 ASN G  73
ALA G  78
VAL G  15
TYR G  72
 None
 1.16A 5umd2-5fq8G:
undetectable
5umdF-5fq8G:
undetectable		 5umd2-5fq8G:
16.43
5umdF-5fq8G:
19.25
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.
5i8e VRC34.01 FAB HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN A  76
ALA A  24
PRO A  52
TYR A  27
 None
 0.97A 5umd2-5i8eA:
undetectable
5umdF-5i8eA:
undetectable		 5umd2-5i8eA:
20.09
5umdF-5i8eA:
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.
5jou ALPHA-XYLOSIDASE
BOGH31A

(Bacteroides
ovatus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		4 ASN A 585
ALA A 586
PRO A 188
TYR A 203
 None
 1.20A 5umd2-5jouA:
undetectable
5umdF-5jouA:
undetectable		 5umd2-5jouA:
6.16
5umdF-5jouA:
7.05
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.
5jvk UNCHARACTERIZED
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 4 ASN A 337
PRO A 291
VAL A 341
TYR A 326
 None
SO4  A 651 (-4.0A)
None
None
 0.92A 5umd2-5jvkA:
undetectable
5umdF-5jvkA:
undetectable		 5umd2-5jvkA:
11.19
5umdF-5jvkA:
10.06
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.
5jym ANTIBODY SCFV TSP11

(Mus musculus) 		PF07686
(V-set) 		4 ASN B  77
ALA B  24
PRO B  53
TYR B  27
 None
 1.08A 5umd2-5jymB:
undetectable
5umdF-5jymB:
undetectable		 5umd2-5jymB:
13.62
5umdF-5jymB:
14.01
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.
5okl AFAMIN

(Homo sapiens) 		no annotation 4 ASN A 554
ALA A 553
PRO A 574
VAL A 555
 None
 1.16A 5umd2-5oklA:
undetectable
5umdF-5oklA:
undetectable		 5umd2-5oklA:
21.43
5umdF-5oklA:
21.11
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.
5u4h UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Acinetobacter
baumannii) 		PF00275
(EPSP_synthase) 		4 ALA A  93
PRO A 113
VAL A  88
ASP A  49
 None
 0.92A 5umd2-5u4hA:
undetectable
5umdF-5u4hA:
undetectable		 5umd2-5u4hA:
11.98
5umdF-5u4hA:
10.29
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.
5vlp FAB7G7 HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN H  78
ALA H  24
PRO H  53
VAL H  79
 None
 1.11A 5umd2-5vlpH:
undetectable
5umdF-5vlpH:
undetectable		 5umd2-5vlpH:
19.52
5umdF-5vlpH:
13.00
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.
5wi5 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Streptococcus
pneumoniae) 		PF00275
(EPSP_synthase) 		4 ALA A  97
PRO A 117
VAL A  92
ASP A  51
 EPU  A 503 (-3.4A)
None
None
None
 0.93A 5umd2-5wi5A:
undetectable
5umdF-5wi5A:
undetectable		 5umd2-5wi5A:
12.61
5umdF-5wi5A:
9.74
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.
5wml -

(-) 		no annotation 4 ALA A 319
PRO A 321
VAL A 325
TYR A 157
 None
 1.18A 5umd2-5wmlA:
undetectable
5umdF-5wmlA:
undetectable		 5umd2-5wmlA:
undetectable
5umdF-5wmlA:
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 4 ALA A 854
PRO A 463
VAL A 858
ASP A 472
 None
 1.13A 5umd2-5wmmA:
undetectable
5umdF-5wmmA:
undetectable		 5umd2-5wmmA:
21.59
5umdF-5wmmA:
23.86
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.
5wrk AP-2 COMPLEX SUBUNIT
MU

(Rattus
norvegicus) 		no annotation 4 ASN A 182
PRO A 396
VAL A 196
TYR A 431
 None
 1.11A 5umd2-5wrkA:
undetectable
5umdF-5wrkA:
undetectable		 5umd2-5wrkA:
19.39
5umdF-5wrkA:
12.35
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.
5wrl AP-2 COMPLEX SUBUNIT
MU

(Rattus
norvegicus) 		no annotation 4 ASN A 182
PRO A 396
VAL A 196
TYR A 431
 None
 1.12A 5umd2-5wrlA:
undetectable
5umdF-5wrlA:
undetectable		 5umd2-5wrlA:
23.00
5umdF-5wrlA:
16.25
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.
5x8o INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Trypanosoma
brucei) 		no annotation 4 ASN A 290
ALA A 261
VAL A 312
ASP A 259
 None
 1.16A 5umd2-5x8oA:
undetectable
5umdF-5x8oA:
undetectable		 5umd2-5x8oA:
21.69
5umdF-5x8oA:
25.27
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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1
ATP-DEPENDENT DNA
HELICASE II SUBUNIT
2

(Saccharomyces
cerevisiae) 		no annotation 4 ASN A 104
ALA A 105
ASP B 322
TYR B 319
 None
 1.16A 5umd2-5y58A:
undetectable
5umdF-5y58A:
undetectable		 5umd2-5y58A:
15.73
5umdF-5y58A:
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.
6a0x ANTIBODY 13D4, FAB
HEAVY CHAIN

(Mus musculus) 		no annotation 4 ASN A  73
ALA A  24
PRO A  52
TYR A  27
 None
 1.08A 5umd2-6a0xA:
undetectable
5umdF-6a0xA:
undetectable		 5umd2-6a0xA:
22.99
5umdF-6a0xA:
24.42
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.
6bb4 MOUSE MONOCLONAL
ANTIBODY C5.2 FAB
HEAVY CHAIN

(Mus musculus) 		no annotation 4 ASN H  76
ALA H  24
PRO H  52
TYR H  27
 None
 1.12A 5umd2-6bb4H:
undetectable
5umdF-6bb4H:
undetectable		 5umd2-6bb4H:
22.09
5umdF-6bb4H:
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.
6cn1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
putida) 		no annotation 4 ALA A  94
PRO A 114
VAL A  89
ASP A  49
 EPU  A 501 (-3.6A)
None
None
None
 0.90A 5umd2-6cn1A:
undetectable
5umdF-6cn1A:
undetectable		 5umd2-6cn1A:
18.07
5umdF-6cn1A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cp2 -

(-) 		no annotation 4 ASN B  43
PRO B 115
ASP B  47
TYR B  46
 None
 1.06A 5umd2-6cp2B:
undetectable
5umdF-6cp2B:
undetectable		 5umd2-6cp2B:
undetectable
5umdF-6cp2B:
undetectable