SIMILAR PATTERNS OF AMINO ACIDS FOR 3PGY_A_GLYA510_0

List of similar pattern of amino acids derived from ASSAM search

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

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
16vp PROTEIN (VP16,
VMW65, ATIF)

(Human
alphaherpesvirus
1) 		PF02232
(Alpha_TIF) 		4 ILE A 298
GLU A  86
PHE A  89
ALA A 332
 None
 1.08A 3pgyA-16vpA:
undetectable
3pgyB-16vpA:
undetectable		 3pgyA-16vpA:
21.60
3pgyB-16vpA:
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.
1b4j ANTIBODY

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE L   2
GLU L  27
ALA L  25
ASN L  28
 None
 0.92A 3pgyA-1b4jL:
undetectable
3pgyB-1b4jL:
undetectable		 3pgyA-1b4jL:
20.30
3pgyB-1b4jL:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bbj IGG4-KAPPA B72.3 FAB
(LIGHT CHAIN)

(Homo sapiens;
Mus musculus) 		no annotation 4 ILE L   2
GLU L  27
ALA L  25
ASN L  28
 None
 1.10A 3pgyA-1bbjL:
undetectable
3pgyB-1bbjL:
undetectable		 3pgyA-1bbjL:
19.76
3pgyB-1bbjL:
19.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cj0 PROTEIN (SERINE
HYDROXYMETHYLTRANSFE
RASE)

(Oryctolagus
cuniculus) 		PF00464
(SHMT) 		4 GLU A  31
ILE A  33
PHE A  38
ALA A 368
 None
 0.93A 3pgyA-1cj0A:
48.5
3pgyB-1cj0A:
49.2		 3pgyA-1cj0A:
44.23
3pgyB-1cj0A:
44.23
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.
1fbt FRUCTOSE-2,6-BISPHOS
PHATASE

(Rattus
norvegicus) 		PF00300
(His_Phos_1) 		4 GLU A 115
ILE A  78
GLU A  77
ASN A  76
 None
None
PO4  A 300 (-3.4A)
None
 0.96A 3pgyA-1fbtA:
undetectable
3pgyB-1fbtA:
undetectable		 3pgyA-1fbtA:
18.07
3pgyB-1fbtA:
18.07
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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
ALPHA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 ILE A 403
GLU A 407
ALA A  14
ASN A 406
 None
 1.05A 3pgyA-1hr7A:
undetectable
3pgyB-1hr7A:
undetectable		 3pgyA-1hr7A:
20.44
3pgyB-1hr7A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		4 ILE A 236
GLU A 273
ALA A 238
ASN A 234
 None
 1.03A 3pgyA-1j1wA:
undetectable
3pgyB-1j1wA:
undetectable		 3pgyA-1j1wA:
20.16
3pgyB-1j1wA:
20.16
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.
1k6m 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE
2-PHOSPHATASE

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		4 GLU A 365
ILE A 328
GLU A 327
ASN A 326
 None
None
PO4  A 501 (-3.9A)
None
 0.98A 3pgyA-1k6mA:
undetectable
3pgyB-1k6mA:
2.2		 3pgyA-1k6mA:
22.06
3pgyB-1k6mA:
22.06
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.
1k72 ENDOGLUCANASE 9G

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9)
PF00942
(CBM_3) 		4 GLU A 503
ILE A 504
ALA A 506
ASN A 539
 CA  A 778 (-2.4A)
None
None
None
 1.14A 3pgyA-1k72A:
undetectable
3pgyB-1k72A:
undetectable		 3pgyA-1k72A:
22.19
3pgyB-1k72A:
22.19
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.
1l2u OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Escherichia
coli) 		PF00215
(OMPdecase) 		4 GLU A 152
GLU A 172
PHE A 180
ALA A 155
 None
 1.09A 3pgyA-1l2uA:
undetectable
3pgyB-1l2uA:
undetectable		 3pgyA-1l2uA:
21.90
3pgyB-1l2uA:
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.
1pjm IMPORTIN ALPHA-2
SUBUNIT

(Mus musculus) 		PF00514
(Arm)
PF16186
(Arm_3) 		4 GLU B 465
ILE B 462
GLU B 458
PHE B 496
 None
 1.11A 3pgyA-1pjmB:
undetectable
3pgyB-1pjmB:
undetectable		 3pgyA-1pjmB:
23.59
3pgyB-1pjmB:
23.59
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.
1pl0 BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Homo sapiens) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 ILE A 228
PHE A 318
ALA A 243
ASN A 239
 None
 1.01A 3pgyA-1pl0A:
undetectable
3pgyB-1pl0A:
undetectable		 3pgyA-1pl0A:
22.31
3pgyB-1pl0A:
22.31
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.
1poi GLUTACONATE COENZYME
A-TRANSFERASE

(Acidaminococcus
fermentans) 		PF01144
(CoA_trans) 		4 ILE B 259
GLU B  11
ALA B  14
ASN B   9
 None
 1.13A 3pgyA-1poiB:
3.2
3pgyB-1poiB:
2.8		 3pgyA-1poiB:
21.88
3pgyB-1poiB:
21.88
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.
1q2l PROTEASE III

(Escherichia
coli) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF16187
(Peptidase_M16_M) 		4 GLU A 524
ILE A 526
GLU A 710
ALA A 537
 None
 1.04A 3pgyA-1q2lA:
undetectable
3pgyB-1q2lA:
undetectable		 3pgyA-1q2lA:
20.19
3pgyB-1q2lA:
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.
1r0l 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Zymomonas
mobilis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		4 ILE A 173
GLU A 152
ALA A 175
ASN A 217
 None
 1.07A 3pgyA-1r0lA:
undetectable
3pgyB-1r0lA:
2.1		 3pgyA-1r0lA:
23.06
3pgyB-1r0lA:
23.06
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.
1rh9 ENDO-BETA-MANNANASE

(Solanum
lycopersicum) 		PF00150
(Cellulase) 		4 GLU A 237
ILE A 128
ALA A 317
ASN A 203
 None
 1.05A 3pgyA-1rh9A:
undetectable
3pgyB-1rh9A:
undetectable		 3pgyA-1rh9A:
23.03
3pgyB-1rh9A:
23.03
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.
1x9s DNA POLYMERASE

(Escherichia
virus T7) 		PF00476
(DNA_pol_A) 		4 ILE A 505
GLU A 499
ALA A 497
ASN A 502
 None
 1.08A 3pgyA-1x9sA:
undetectable
3pgyB-1x9sA:
undetectable		 3pgyA-1x9sA:
21.32
3pgyB-1x9sA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yqe HYPOTHETICAL UPF0204
PROTEIN AF0625

(Archaeoglobus
fulgidus) 		PF04414
(tRNA_deacylase) 		4 ILE A 239
PHE A 210
ALA A 187
ASN A 213
 None
 1.07A 3pgyA-1yqeA:
undetectable
3pgyB-1yqeA:
undetectable		 3pgyA-1yqeA:
22.36
3pgyB-1yqeA:
22.36
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.
2a6e RNA POLYMERASE SIGMA
FACTOR RPOD

(Thermus
thermophilus) 		PF00140
(Sigma70_r1_2)
PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		4 ILE F 221
PHE F 235
ALA F 223
ASN F 191
 None
 1.11A 3pgyA-2a6eF:
undetectable
3pgyB-2a6eF:
undetectable		 3pgyA-2a6eF:
22.74
3pgyB-2a6eF:
22.74
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.
2cdu NADPH OXIDASE

(Lactobacillus
sanfranciscensis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 GLU A 218
ILE A 225
GLU A 233
ALA A 216
 None
 1.12A 3pgyA-2cduA:
undetectable
3pgyB-2cduA:
undetectable		 3pgyA-2cduA:
24.07
3pgyB-2cduA:
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.
2diw PUTATIVE RNA-BINDING
PROTEIN 16

(Homo sapiens) 		PF04818
(CTD_bind) 		4 ILE A  38
GLU A  19
ALA A  42
ASN A  17
 None
 1.06A 3pgyA-2diwA:
undetectable
3pgyB-2diwA:
undetectable		 3pgyA-2diwA:
14.94
3pgyB-2diwA:
14.94
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.
2f8t ARGONAUTE PROTEIN

(Aquifex
aeolicus) 		PF02171
(Piwi) 		4 ILE A 613
GLU A 610
ALA A   5
ASN A 609
 None
 0.94A 3pgyA-2f8tA:
undetectable
3pgyB-2f8tA:
undetectable		 3pgyA-2f8tA:
19.78
3pgyB-2f8tA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iic ALPHA-11 GIARDIN

(Giardia
intestinalis) 		no annotation 4 GLU A  18
ILE A  56
GLU A  62
ASN A 290
 None
None
CA  A 401 (-3.8A)
None
 0.96A 3pgyA-2iicA:
undetectable
3pgyB-2iicA:
undetectable		 3pgyA-2iicA:
22.59
3pgyB-2iicA:
22.59
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.
2imh HYPOTHETICAL PROTEIN
UNP Q5LQD5_SILPO

(Ruegeria
pomeroyi) 		PF06267
(DUF1028) 		4 GLU A 152
ILE A 149
PHE A   3
ALA A 151
 None
 1.06A 3pgyA-2imhA:
undetectable
3pgyB-2imhA:
undetectable		 3pgyA-2imhA:
19.33
3pgyB-2imhA:
19.33
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.
2js4 UPF0434 PROTEIN
BB2007

(Bordetella
bronchiseptica) 		PF03966
(Trm112p) 		4 GLU A  47
GLU A  49
PHE A  36
ALA A  50
 None
 1.06A 3pgyA-2js4A:
undetectable
3pgyB-2js4A:
undetectable		 3pgyA-2js4A:
10.99
3pgyB-2js4A:
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.
2kos ACYL CARRIER PROTEIN

(Streptomyces
coelicolor) 		PF00550
(PP-binding) 		4 GLU A  17
ILE A  18
GLU A  45
ALA A  49
 None
 1.03A 3pgyA-2kosA:
undetectable
3pgyB-2kosA:
undetectable		 3pgyA-2kosA:
13.73
3pgyB-2kosA:
13.73
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.
2lfi PROTEIN LBA1460

(Lactobacillus
acidophilus) 		no annotation 4 ILE A  15
GLU A  98
PHE A  60
ASN A  95
 None
 1.00A 3pgyA-2lfiA:
undetectable
3pgyB-2lfiA:
undetectable		 3pgyA-2lfiA:
14.53
3pgyB-2lfiA:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Homo sapiens) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 ILE A 339
PHE A 274
ALA A 444
ASN A 272
 None
 0.99A 3pgyA-2vxoA:
undetectable
3pgyB-2vxoA:
undetectable		 3pgyA-2vxoA:
22.74
3pgyB-2vxoA:
22.74
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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		4 ILE B  14
GLU B 131
ALA B 134
ASN B 130
 None
 1.14A 3pgyA-2xdqB:
2.8
3pgyB-2xdqB:
3.0		 3pgyA-2xdqB:
21.92
3pgyB-2xdqB:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ai5 YEAST ENHANCED GREEN
FLUORESCENT
PROTEIN,UBIQUITIN

(Aequorea
victoria;
Mus musculus) 		PF00240
(ubiquitin)
PF01353
(GFP) 		4 ILE A 188
PHE A  83
ALA A  87
ASN A 185
 None
 1.15A 3pgyA-3ai5A:
undetectable
3pgyB-3ai5A:
undetectable		 3pgyA-3ai5A:
21.69
3pgyB-3ai5A:
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.
3bif PROTEIN
(6-PHOSPHOFRUCTO-2-K
INASE/
FRUCTOSE-2,6-BISPHOS
PHATASE)

(Rattus
norvegicus) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		4 GLU A 363
ILE A 326
GLU A 325
ASN A 324
 None
None
PO4  A 515 ( 3.8A)
None
 1.01A 3pgyA-3bifA:
undetectable
3pgyB-3bifA:
2.1		 3pgyA-3bifA:
21.61
3pgyB-3bifA:
21.61
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.
3bo6 HYDROPHILIC PROTEIN,
VIRA PROTEIN

(Chromobacterium
violaceum) 		PF03536
(VRP3) 		4 ILE A 180
GLU A 181
ALA A 240
ASN A 206
 None
 1.07A 3pgyA-3bo6A:
undetectable
3pgyB-3bo6A:
undetectable		 3pgyA-3bo6A:
19.66
3pgyB-3bo6A:
19.66
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.
3ckb SUSD

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB) 		4 ILE A 283
PHE A 157
ALA A 218
ASN A 223
 None
 0.88A 3pgyA-3ckbA:
undetectable
3pgyB-3ckbA:
undetectable		 3pgyA-3ckbA:
20.96
3pgyB-3ckbA:
20.96
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.
3dh4 SODIUM/GLUCOSE
COTRANSPORTER

(Vibrio
parahaemolyticus) 		PF00474
(SSF) 		4 GLU A 233
ILE A 235
ALA A  83
ASN A 240
 None
 1.13A 3pgyA-3dh4A:
undetectable
3pgyB-3dh4A:
undetectable		 3pgyA-3dh4A:
21.89
3pgyB-3dh4A:
21.89
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.
3dwl ACTIN-RELATED
PROTEIN 3
ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 2

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF00022
(Actin)
PF04045
(P34-Arc) 		4 ILE D   9
GLU D  13
PHE A  31
ASN A  78
 None
 0.99A 3pgyA-3dwlD:
undetectable
3pgyB-3dwlD:
undetectable		 3pgyA-3dwlD:
21.13
3pgyB-3dwlD:
21.13
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.
3e96 DIHYDRODIPICOLINATE
SYNTHASE

(Bacillus
clausii) 		PF00701
(DHDPS) 		4 ILE A 245
GLU A 249
PHE A 211
ALA A 200
 None
 0.97A 3pgyA-3e96A:
2.9
3pgyB-3e96A:
3.0		 3pgyA-3e96A:
24.03
3pgyB-3e96A:
24.03
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.
3evp GREEN FLUORESCENT
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria) 		PF01353
(GFP) 		4 ILE A 101
PHE A 241
ALA A 245
ASN A  98
 None
 1.15A 3pgyA-3evpA:
undetectable
3pgyB-3evpA:
undetectable		 3pgyA-3evpA:
20.85
3pgyB-3evpA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evr MYOSIN LIGHT CHAIN
KINASE, GREEN
FLUORESCENT PROTEIN,
CALMODULIN-1 CHIMERA

(Aequorea
victoria;
Rattus
norvegicus) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		4 ILE A 101
PHE A 241
ALA A 245
ASN A  98
 None
 1.14A 3pgyA-3evrA:
undetectable
3pgyB-3evrA:
undetectable		 3pgyA-3evrA:
23.55
3pgyB-3evrA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ezs AMINOTRANSFERASE
ASPB

(Helicobacter
pylori) 		PF00155
(Aminotran_1_2) 		4 ILE A 127
PHE A  95
ALA A 123
ASN A  96
 None
 1.05A 3pgyA-3ezsA:
22.7
3pgyB-3ezsA:
22.9		 3pgyA-3ezsA:
21.81
3pgyB-3ezsA:
21.81
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.
3f83 FUSION OF THE MINOR
PILIN CFAE AND MAJOR
PILIN CFAB

(Escherichia
coli) 		PF04449
(Fimbrial_CS1)
PF07434
(CblD) 		4 ILE A 157
GLU A 161
ALA A 159
ASN A 163
 None
 1.10A 3pgyA-3f83A:
undetectable
3pgyB-3f83A:
undetectable		 3pgyA-3f83A:
21.17
3pgyB-3f83A:
21.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF00464
(SHMT) 		4 GLU A  31
ILE A  33
GLU A  36
ALA A 368
 None
 0.94A 3pgyA-3g8mA:
51.9
3pgyB-3g8mA:
51.8		 3pgyA-3g8mA:
58.23
3pgyB-3g8mA:
58.23
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.
3ge4 DNA PROTECTION
DURING STARVATION
PROTEIN

(Brucella
melitensis) 		PF00210
(Ferritin) 		4 GLU A  94
GLU A  28
ALA A  31
ASN A  27
 None
 1.05A 3pgyA-3ge4A:
undetectable
3pgyB-3ge4A:
undetectable		 3pgyA-3ge4A:
17.51
3pgyB-3ge4A:
17.51
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.
3gg0 KLEBSIELLA
PNEUMONIAE BLRP1

(Klebsiella
pneumoniae) 		PF00563
(EAL)
PF04940
(BLUF) 		4 ILE A 332
GLU A 366
PHE A 378
ALA A 358
 None
 1.01A 3pgyA-3gg0A:
undetectable
3pgyB-3gg0A:
undetectable		 3pgyA-3gg0A:
22.79
3pgyB-3gg0A:
22.79
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.
3i6v PERIPLASMIC
HIS/GLU/GLN/ARG/OPIN
E FAMILY-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00497
(SBP_bac_3) 		4 GLU A 191
ILE A 154
PHE A 177
ALA A 156
 None
 1.10A 3pgyA-3i6vA:
undetectable
3pgyB-3i6vA:
undetectable		 3pgyA-3i6vA:
22.60
3pgyB-3i6vA:
22.60
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.
3k50 PUTATIVE S41
PROTEASE

(Bacteroides
fragilis) 		PF03572
(Peptidase_S41) 		4 ILE A 331
GLU A 328
PHE A 219
ASN A 256
 None
 1.07A 3pgyA-3k50A:
undetectable
3pgyB-3k50A:
undetectable		 3pgyA-3k50A:
22.15
3pgyB-3k50A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kkj AMINE OXIDASE,
FLAVIN-CONTAINING

(Pseudomonas
syringae group
genomosp. 3) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 ILE A 128
PHE A 151
ALA A   6
ASN A 139
 FAD  A 401 (-4.0A)
None
None
None
 1.03A 3pgyA-3kkjA:
undetectable
3pgyB-3kkjA:
undetectable		 3pgyA-3kkjA:
22.07
3pgyB-3kkjA:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l3p IPAH9.8

(Shigella
flexneri) 		PF14496
(NEL) 		4 GLU A 280
GLU A 281
PHE A 327
ALA A 283
 None
 1.07A 3pgyA-3l3pA:
undetectable
3pgyB-3l3pA:
undetectable		 3pgyA-3l3pA:
23.68
3pgyB-3l3pA:
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.
3lyd UNCHARACTERIZED
PROTEIN

(Jonesia
denitrificans) 		PF10738
(Lpp-LpqN) 		4 GLU A 117
ILE A 126
ALA A  57
ASN A  64
 None
 1.06A 3pgyA-3lydA:
undetectable
3pgyB-3lydA:
undetectable		 3pgyA-3lydA:
18.12
3pgyB-3lydA:
18.12
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ILE B  85
GLU B 145
ALA B  88
ASN B 144
 None
 1.08A 3pgyA-3m2rB:
undetectable
3pgyB-3m2rB:
undetectable		 3pgyA-3m2rB:
23.22
3pgyB-3m2rB:
23.22
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.
3osr MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Escherichia
coli;
Aequorea
victoria) 		PF01353
(GFP)
PF01547
(SBP_bac_1) 		4 ILE A 355
PHE A 495
ALA A 499
ASN A 352
 None
 1.14A 3pgyA-3osrA:
undetectable
3pgyB-3osrA:
undetectable		 3pgyA-3osrA:
21.25
3pgyB-3osrA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p14 L-RHAMNOSE ISOMERASE

(Bacillus
halodurans) 		PF06134
(RhaA) 		4 ILE A 272
GLU A 310
ALA A 274
ASN A 270
 None
 1.10A 3pgyA-3p14A:
undetectable
3pgyB-3p14A:
undetectable		 3pgyA-3p14A:
22.68
3pgyB-3p14A:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p28 GREEN FLUORESCENT
PROTEIN

(Aequorea
victoria) 		PF01353
(GFP) 		4 ILE A 140
PHE A  35
ALA A  39
ASN A 137
 None
 1.14A 3pgyA-3p28A:
undetectable
3pgyB-3p28A:
undetectable		 3pgyA-3p28A:
19.71
3pgyB-3p28A:
19.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		5 GLU A  27
ILE A  29
GLU A  32
PHE A  34
ALA A 363
 GLY  A 510 (-2.8A)
None
None
GLY  A 510 (-4.0A)
GLY  A 510 (-2.9A)
 0.42A 3pgyA-3pgyA:
71.3
3pgyB-3pgyA:
66.2		 3pgyA-3pgyA:
100.00
3pgyB-3pgyA:
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.
3qyy RESPONSE REGULATOR

(Xanthomonas
campestris) 		PF00990
(GGDEF) 		4 GLU A 260
ILE A 263
GLU A 267
ALA A 257
 None
 1.00A 3pgyA-3qyyA:
undetectable
3pgyB-3qyyA:
undetectable		 3pgyA-3qyyA:
18.18
3pgyB-3qyyA:
18.18
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.
3t6c PUTATIVE MAND FAMILY
DEHYDRATASE

(Pantoea
ananatis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A  12
GLU A 389
ALA A 393
ASN A 388
 None
 1.14A 3pgyA-3t6cA:
undetectable
3pgyB-3t6cA:
undetectable		 3pgyA-3t6cA:
22.72
3pgyB-3t6cA:
22.72
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.
3tc1 OCTAPRENYL
PYROPHOSPHATE
SYNTHASE

(Helicobacter
pylori) 		PF00348
(polyprenyl_synt) 		4 GLU A 296
ILE A 287
GLU A 290
ASN A 291
 None
 1.03A 3pgyA-3tc1A:
undetectable
3pgyB-3tc1A:
undetectable		 3pgyA-3tc1A:
23.50
3pgyB-3tc1A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u2h S-LAYER PROTEIN
MA0829

(Methanosarcina
acetivorans) 		PF07752
(S-layer) 		4 ILE A 465
GLU A 466
ALA A 392
ASN A 502
 None
 0.93A 3pgyA-3u2hA:
undetectable
3pgyB-3u2hA:
undetectable		 3pgyA-3u2hA:
22.61
3pgyB-3u2hA:
22.61
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.
3u8p CYTOCHROME B562
INTEGRAL FUSION WITH
ENHANCED GREEN
FLUORESCENT PROTEIN

(Escherichia
coli;
Aequorea
victoria) 		PF01353
(GFP)
PF07361
(Cytochrom_B562) 		4 ILE A 296
PHE A 191
ALA A 195
ASN A 293
 None
 1.14A 3pgyA-3u8pA:
2.1
3pgyB-3u8pA:
undetectable		 3pgyA-3u8pA:
23.20
3pgyB-3u8pA:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ulk KETOL-ACID
REDUCTOISOMERASE

(Escherichia
coli) 		PF01450
(IlvC)
PF07991
(IlvN) 		4 GLU A 383
ILE A 382
PHE A 373
ALA A 386
 GLU  A 383 ( 0.6A)
ILE  A 382 ( 0.7A)
PHE  A 373 ( 1.3A)
ALA  A 386 ( 0.0A)
 1.06A 3pgyA-3ulkA:
3.5
3pgyB-3ulkA:
3.6		 3pgyA-3ulkA:
23.61
3pgyB-3ulkA:
23.61
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.
3vac CFA/I FIMBRIAL
SUBUNIT E

(Escherichia
coli) 		PF07434
(CblD) 		4 ILE A 157
GLU A 161
ALA A 159
ASN A 163
 None
 1.10A 3pgyA-3vacA:
undetectable
3pgyB-3vacA:
undetectable		 3pgyA-3vacA:
21.57
3pgyB-3vacA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vc8 RNA-DIRECTED RNA
POLYMERASE

(Murine
coronavirus) 		PF16348
(Corona_NSP4_C) 		4 GLU A  64
PHE A  29
ALA A  60
ASN A  30
 None
 1.09A 3pgyA-3vc8A:
undetectable
3pgyB-3vc8A:
undetectable		 3pgyA-3vc8A:
10.31
3pgyB-3vc8A:
10.31
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.
3w9u PUTATIVE LIPASE

(Proteus
mirabilis) 		PF00561
(Abhydrolase_1) 		4 ILE A 154
GLU A 158
PHE A  47
ALA A 156
 None
 1.10A 3pgyA-3w9uA:
2.1
3pgyB-3w9uA:
undetectable		 3pgyA-3w9uA:
23.89
3pgyB-3w9uA:
23.89
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.
3zq4 RIBONUCLEASE J 1

(Bacillus
subtilis) 		PF00753
(Lactamase_B)
PF07521
(RMMBL) 		4 ILE A 242
GLU A 243
PHE A 219
ALA A 245
 None
 1.13A 3pgyA-3zq4A:
undetectable
3pgyB-3zq4A:
undetectable		 3pgyA-3zq4A:
22.01
3pgyB-3zq4A:
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.
4a5w COMPLEMENT C5

(Homo sapiens) 		PF00207
(A2M)
PF01759
(NTR)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2) 		4 ILE A1432
GLU A1481
PHE A1477
ALA A1434
 None
 0.99A 3pgyA-4a5wA:
2.4
3pgyB-4a5wA:
undetectable		 3pgyA-4a5wA:
14.52
3pgyB-4a5wA:
14.52
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.
4b8w GDP-L-FUCOSE
SYNTHASE

(Homo sapiens) 		PF01370
(Epimerase) 		4 ILE A 169
GLU A 128
ALA A 284
ASN A 286
 None
 1.12A 3pgyA-4b8wA:
2.7
3pgyB-4b8wA:
3.3		 3pgyA-4b8wA:
22.04
3pgyB-4b8wA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d4l 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 3

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		4 GLU A 360
ILE A 323
GLU A 322
ASN A 321
 None
None
F6P  A1448 (-3.7A)
None
 0.99A 3pgyA-4d4lA:
2.3
3pgyB-4d4lA:
2.1		 3pgyA-4d4lA:
20.00
3pgyB-4d4lA:
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.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 ILE P 664
PHE P 543
ALA P 668
ASN P 586
 None
 0.83A 3pgyA-4dvyP:
undetectable
3pgyB-4dvyP:
undetectable		 3pgyA-4dvyP:
19.47
3pgyB-4dvyP:
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.
4dvz CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 ILE A 664
PHE A 543
ALA A 668
ASN A 586
 None
 0.74A 3pgyA-4dvzA:
undetectable
3pgyB-4dvzA:
undetectable		 3pgyA-4dvzA:
23.58
3pgyB-4dvzA:
23.58
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.
4ix8 TYROSINE
AMINOTRANSFERASE

(Leishmania
infantum) 		PF00155
(Aminotran_1_2) 		4 ILE A 255
PHE A 266
ALA A 257
ASN A 222
 LLP  A 286 ( 3.8A)
None
None
None
 1.14A 3pgyA-4ix8A:
22.9
3pgyB-4ix8A:
23.4		 3pgyA-4ix8A:
22.08
3pgyB-4ix8A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jrb GREEN FLUORESCENT
PROTEIN

(Aequorea
victoria;
Blattella
germanica) 		PF01353
(GFP)
PF06757
(Ins_allergen_rp) 		4 ILE A 188
PHE A  83
ALA A  87
ASN A 185
 None
 1.14A 3pgyA-4jrbA:
undetectable
3pgyB-4jrbA:
undetectable		 3pgyA-4jrbA:
24.51
3pgyB-4jrbA:
24.51
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.
4moz FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Slackia
heliotrinireducens) 		PF01791
(DeoC) 		4 ILE A 261
GLU A 224
ALA A 227
ASN A 225
 None
 1.13A 3pgyA-4mozA:
2.5
3pgyB-4mozA:
2.7		 3pgyA-4mozA:
23.70
3pgyB-4mozA:
23.70
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.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		4 GLU A  64
PHE A 240
ALA A  68
ASN A  62
 None
 1.09A 3pgyA-4n2xA:
undetectable
3pgyB-4n2xA:
undetectable		 3pgyA-4n2xA:
21.18
3pgyB-4n2xA:
21.18
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.
4ncj DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Pyrococcus
furiosus) 		PF02463
(SMC_N) 		4 GLU A 805
ILE A 138
ALA A 145
ASN A 134
 None
 0.96A 3pgyA-4ncjA:
undetectable
3pgyB-4ncjA:
undetectable		 3pgyA-4ncjA:
21.25
3pgyB-4ncjA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ndk E23P-YFP, GFP-LIKE
FLUORESCENT
CHROMOPROTEIN FP506,
RELATED, CHIMERIC
CONSTRUCT,

(Eimeria
acervulina;
Aequorea
victoria) 		PF00046
(Homeobox)
PF01353
(GFP) 		4 ILE A 241
PHE A 136
ALA A 140
ASN A 238
 None
 1.14A 3pgyA-4ndkA:
undetectable
3pgyB-4ndkA:
undetectable		 3pgyA-4ndkA:
22.73
3pgyB-4ndkA:
22.73
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.
4o5p UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF09994
(DUF2235) 		4 GLU A 411
GLU A 414
PHE A 274
ALA A 412
 None
 0.99A 3pgyA-4o5pA:
undetectable
3pgyB-4o5pA:
undetectable		 3pgyA-4o5pA:
19.84
3pgyB-4o5pA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qt9 PUTATIVE
GLUCOAMYLASE

(Bacteroides
caccae) 		PF10091
(Glycoamylase) 		4 GLU A 285
GLU A 273
ALA A 286
ASN A 359
 None
 1.08A 3pgyA-4qt9A:
undetectable
3pgyB-4qt9A:
undetectable		 3pgyA-4qt9A:
19.48
3pgyB-4qt9A:
19.48
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.
4r2g SURFACE PROTEIN
GP160

(Human
immunodeficiency
virus 1) 		no annotation 4 ILE E 443
GLU E 381
ALA E 329
ASN E 302
 None
 1.07A 3pgyA-4r2gE:
undetectable
3pgyB-4r2gE:
undetectable		 3pgyA-4r2gE:
22.93
3pgyB-4r2gE:
22.93
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.
4xgi GLUTAMATE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 GLU A 138
GLU A  64
ALA A  71
ASN A  67
 None
 1.10A 3pgyA-4xgiA:
undetectable
3pgyB-4xgiA:
undetectable		 3pgyA-4xgiA:
23.96
3pgyB-4xgiA:
23.96
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.
4xgy GREEN FLUORESCENT
PROTEIN, MAB LCDR3,
GREEN FLUORESCENT
PROTEIN

(Vibrio
parahaemolyticus;
Aequorea
victoria;
synthetic
construct) 		PF01353
(GFP) 		4 ILE A 201
PHE A  83
ALA A  87
ASN A 198
 None
 1.14A 3pgyA-4xgyA:
undetectable
3pgyB-4xgyA:
undetectable		 3pgyA-4xgyA:
21.41
3pgyB-4xgyA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zf4 GREEN FLUORESCENT
PROTEIN

(Aequorea
victoria) 		PF01353
(GFP) 		4 ILE A 138
PHE A  33
ALA A  37
ASN A 135
 None
 1.13A 3pgyA-4zf4A:
undetectable
3pgyB-4zf4A:
undetectable		 3pgyA-4zf4A:
20.15
3pgyB-4zf4A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a3f DYNAMIN 3

(Homo sapiens) 		PF00169
(PH)
PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		4 ILE A 581
PHE A 598
ALA A 583
ASN A 526
 None
 1.09A 3pgyA-5a3fA:
undetectable
3pgyB-5a3fA:
undetectable		 3pgyA-5a3fA:
20.73
3pgyB-5a3fA:
20.73
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.
5ah4 DNA POLYMERASE III
SUBUNIT BETA

(Mycolicibacterium
smegmatis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 GLU A 168
GLU A 188
PHE A 259
ALA A 177
 None
 1.12A 3pgyA-5ah4A:
undetectable
3pgyB-5ah4A:
undetectable		 3pgyA-5ah4A:
22.80
3pgyB-5ah4A:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ajz 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 3

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		4 GLU A 360
ILE A 323
GLU A 322
ASN A 321
 None
None
F6P  A1447 (-3.5A)
None
 0.99A 3pgyA-5ajzA:
2.4
3pgyB-5ajzA:
2.2		 3pgyA-5ajzA:
21.41
3pgyB-5ajzA:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bu9 BETA-N-ACETYLHEXOSAM
INIDASE

(Beutenbergia
cavernae) 		PF00933
(Glyco_hydro_3) 		4 ILE A 354
GLU A 358
PHE A 314
ALA A 356
 None
 1.10A 3pgyA-5bu9A:
undetectable
3pgyB-5bu9A:
undetectable		 3pgyA-5bu9A:
22.84
3pgyB-5bu9A:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ft6 CYSTEINE DESULFURASE
CSDA

(Escherichia
coli) 		PF00266
(Aminotran_5) 		4 ILE A 350
PHE A 376
ALA A 374
ASN A 380
 None
 1.07A 3pgyA-5ft6A:
27.3
3pgyB-5ft6A:
27.3		 3pgyA-5ft6A:
26.05
3pgyB-5ft6A:
26.05
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.
5hho JM22 TCR ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		4 ILE D  14
GLU D  18
ALA D  80
ASN D  19
 None
 1.08A 3pgyA-5hhoD:
undetectable
3pgyB-5hhoD:
undetectable		 3pgyA-5hhoD:
20.44
3pgyB-5hhoD:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5htk 6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
SPHOSPHATASE 2

(Homo sapiens) 		PF00300
(His_Phos_1)
PF01591
(6PF2K) 		4 GLU A 364
ILE A 327
GLU A 326
ASN A 325
 None
F6P  A 604 ( 4.4A)
F6P  A 604 (-3.1A)
None
 1.01A 3pgyA-5htkA:
undetectable
3pgyB-5htkA:
undetectable		 3pgyA-5htkA:
22.20
3pgyB-5htkA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i4k MANGANESE-BINDING
LIPOPROTEIN MNTA

(Listeria
monocytogenes) 		PF01297
(ZnuA) 		4 ILE A 304
PHE A 275
ALA A 276
ASN A 251
 None
 1.05A 3pgyA-5i4kA:
undetectable
3pgyB-5i4kA:
undetectable		 3pgyA-5i4kA:
24.01
3pgyB-5i4kA:
24.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j3n GREEN FLUORESCENT
PROTEIN,HSDR

(Escherichia
coli;
Aequorea
victoria) 		PF01353
(GFP)
PF12008
(EcoR124_C) 		4 ILE A 194
PHE A  89
ALA A  93
ASN A 191
 None
 1.13A 3pgyA-5j3nA:
undetectable
3pgyB-5j3nA:
undetectable		 3pgyA-5j3nA:
23.84
3pgyB-5j3nA:
23.84
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.
5j68 ASTROTACTIN-2

(Homo sapiens) 		PF01823
(MACPF) 		4 GLU A1148
GLU A1149
ALA A1147
ASN A1145
 None
 1.14A 3pgyA-5j68A:
undetectable
3pgyB-5j68A:
undetectable		 3pgyA-5j68A:
20.62
3pgyB-5j68A:
20.62
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.
5lfd ALLANTOIN RACEMASE

(Pseudomonas
fluorescens) 		no annotation 4 GLU A  78
GLU A  49
ALA A  53
ASN A   9
 None
 1.07A 3pgyA-5lfdA:
undetectable
3pgyB-5lfdA:
2.6		 3pgyA-5lfdA:
22.03
3pgyB-5lfdA:
22.03
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.
5um8 GLYCOPROTEIN GP120

(Human
immunodeficiency
virus 1) 		PF00516
(GP120) 		4 ILE G 443
GLU G 381
ALA G 329
ASN G 300
 None
 1.14A 3pgyA-5um8G:
undetectable
3pgyB-5um8G:
undetectable		 3pgyA-5um8G:
20.47
3pgyB-5um8G:
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.
5us8 ARGININOSUCCINATE
SYNTHASE

(Bordetella
pertussis) 		PF00764
(Arginosuc_synth) 		4 GLU A  80
ILE A 105
PHE A 337
ALA A 108
 None
 0.94A 3pgyA-5us8A:
undetectable
3pgyB-5us8A:
2.4		 3pgyA-5us8A:
26.53
3pgyB-5us8A:
26.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xhq APOLIPOPROTEIN
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00795
(CN_hydrolase) 		4 ILE A 410
GLU A 267
ALA A 269
ASN A 445
 None
 1.01A 3pgyA-5xhqA:
undetectable
3pgyB-5xhqA:
undetectable		 3pgyA-5xhqA:
20.56
3pgyB-5xhqA:
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.
5y6q ALDEHYDE OXIDASE
MEDIUM SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 4 ILE B 262
GLU B 278
PHE B 173
ALA B 172
 None
 0.98A 3pgyA-5y6qB:
undetectable
3pgyB-5y6qB:
undetectable		 3pgyA-5y6qB:
undetectable
3pgyB-5y6qB:
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.
5yy5 -

(-) 		no annotation 4 ILE C  78
PHE C  27
ALA C  24
ASN C  94
 None
 1.08A 3pgyA-5yy5C:
undetectable
3pgyB-5yy5C:
undetectable		 3pgyA-5yy5C:
undetectable
3pgyB-5yy5C:
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.
6ccz SERINE
HYDROXYMETHYLTRANSFE
RASE

(Medicago
truncatula) 		no annotation 4 GLU A 110
ILE A 112
PHE A 117
ALA A 459
 None
 0.76A 3pgyA-6cczA:
53.1
3pgyB-6cczA:
54.1		 3pgyA-6cczA:
undetectable
3pgyB-6cczA:
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.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 4 ILE A 462
GLU A 114
ALA A 363
ASN A  71
 None
 0.99A 3pgyA-6eo5A:
undetectable
3pgyB-6eo5A:
undetectable		 3pgyA-6eo5A:
undetectable
3pgyB-6eo5A:
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.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 4 ILE A 462
GLU A 114
PHE A 361
ALA A 363
 None
 1.11A 3pgyA-6eo5A:
undetectable
3pgyB-6eo5A:
undetectable		 3pgyA-6eo5A:
undetectable
3pgyB-6eo5A:
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.
6fhe -

(-) 		no annotation 4 ILE A 199
GLU A 200
ALA A 246
ASN A 201
 None
 1.14A 3pgyA-6fheA:
undetectable
3pgyB-6fheA:
undetectable		 3pgyA-6fheA:
undetectable
3pgyB-6fheA:
undetectable