SIMILAR PATTERNS OF AMINO ACIDS FOR 3PGH_A_FLPA701_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.
1au8 CATHEPSIN G

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A  52
LEU A  68
ALA A  85
SER A 109
LEU A 108
 None
 0.84A 3pghA-1au8A:
0.0		 3pghA-1au8A:
16.10
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.
1dpp DIPEPTIDE BINDING
PROTEIN

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		5 VAL A 135
VAL A  37
GLY A  49
ALA A  51
LEU A  67
 None
 1.19A 3pghA-1dppA:
0.0		 3pghA-1dppA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e5f METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 VAL A 202
VAL A  81
LEU A 229
GLY A  88
ALA A  89
 None
 1.30A 3pghA-1e5fA:
0.0		 3pghA-1e5fA:
19.80
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.
1e6v METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 VAL C  74
LEU B 400
VAL B 253
GLY B 310
ALA B 313
 None
 1.11A 3pghA-1e6vC:
undetectable		 3pghA-1e6vC:
18.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 VAL A 116
VAL A 349
LEU A 352
TYR A 355
LEU A 359
TYR A 385
TRP A 387
GLY A 526
ALA A 527
LEU A 531
 None
SCL  A 700 ( 4.6A)
SCL  A 700 ( 4.8A)
SCL  A 700 (-4.3A)
None
None
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.42A 3pghA-1ebvA:
23.5		 3pghA-1ebvA:
64.08
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.
1fzd FIBRINOGEN-420

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 VAL A 736
VAL A 707
LEU A 705
GLY A 744
LEU A 747
 None
 1.31A 3pghA-1fzdA:
undetectable		 3pghA-1fzdA:
15.13
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.
1g01 ENDOGLUCANASE

(Bacillus sp.
KSM-635) 		PF00150
(Cellulase)
PF03424
(CBM_17_28) 		5 LEU A 544
LEU A 282
GLY A 529
ALA A 530
SER A 520
 None
 1.15A 3pghA-1g01A:
0.0		 3pghA-1g01A:
20.94
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.
1htt HISTIDYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		5 VAL A 385
LEU A 419
VAL A 329
GLY A 380
ALA A 381
 None
 1.10A 3pghA-1httA:
0.0		 3pghA-1httA:
21.98
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.
1ith HEMOGLOBIN (CYANO
MET)

(Urechis caupo) 		PF00042
(Globin) 		5 VAL A 111
LEU A  72
GLY A 134
ALA A 133
LEU A 108
 None
None
None
None
HEM  A 143 ( 4.9A)
 1.28A 3pghA-1ithA:
undetectable		 3pghA-1ithA:
13.07
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		5 VAL A 247
LEU A 246
GLY A 279
ALA A 278
LEU A 237
 None
 1.29A 3pghA-1ituA:
undetectable		 3pghA-1ituA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j17 TRYPSIN II, ANIONIC

(Rattus
norvegicus) 		PF00089
(Trypsin) 		5 VAL T  52
LEU T  68
ALA T  85
SER T 109
LEU T 108
 None
 0.97A 3pghA-1j17T:
undetectable		 3pghA-1j17T:
16.46
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.
1nfi I-KAPPA-B-ALPHA

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		5 VAL E  97
LEU E 115
LEU E  78
GLY E 132
ALA E 133
 None
 0.95A 3pghA-1nfiE:
undetectable		 3pghA-1nfiE:
16.24
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.
1nlr ENDO-1,4-BETA-GLUCAN
ASE

(Streptomyces
lividans) 		PF01670
(Glyco_hydro_12) 		5 VAL A 180
VAL A 198
VAL A 220
ALA A  85
SER A  87
 None
 1.02A 3pghA-1nlrA:
undetectable		 3pghA-1nlrA:
15.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1no7 MAJOR CAPSID PROTEIN

(Human
alphaherpesvirus
1) 		PF03122
(Herpes_MCP) 		5 VAL A1010
LEU A 700
GLY A 596
ALA A1023
LEU A1020
 None
 1.15A 3pghA-1no7A:
0.9		 3pghA-1no7A:
20.09
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.
1oaa SEPIAPTERIN
REDUCTASE

(Mus musculus) 		PF00106
(adh_short) 		5 VAL A 153
LEU A 140
GLY A 254
ALA A 186
LEU A 185
 None
 1.19A 3pghA-1oaaA:
undetectable		 3pghA-1oaaA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1spj KALLIKREIN 1

(Homo sapiens) 		PF00089
(Trypsin) 		5 VAL A 118
VAL A  83
GLY A  44
ALA A  31
LEU A  46
 None
 1.25A 3pghA-1spjA:
undetectable		 3pghA-1spjA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT

(Pseudomonas
putida) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 VAL C 165
LEU C  50
GLY C  32
ALA C  31
LEU C  53
 FAD  C4931 ( 3.9A)
None
GOL  C3907 ( 3.4A)
FAD  C4931 (-3.5A)
None
 1.18A 3pghA-1t3qC:
undetectable		 3pghA-1t3qC:
19.46
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 LEU A 220
LEU A 316
VAL A 236
GLY A 208
ALA A 213
 None
 1.07A 3pghA-1ukcA:
undetectable		 3pghA-1ukcA:
21.56
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.
1w52 PANCREATIC LIPASE
RELATED PROTEIN 2

(Equus caballus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 VAL X 223
VAL X 174
GLY X 156
ALA X 157
LEU X 193
 None
 1.21A 3pghA-1w52X:
undetectable		 3pghA-1w52X:
23.14
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.
1xk5 SNURPORTIN-1

(Homo sapiens) 		no annotation 5 VAL A 282
VAL A 121
LEU A 257
GLY A 116
LEU A 242
 None
 1.28A 3pghA-1xk5A:
undetectable		 3pghA-1xk5A:
15.01
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG) 		PF05199
(GMC_oxred_C) 		5 VAL A 286
VAL A 572
LEU A 578
GLY A 335
LEU A 329
 None
 1.13A 3pghA-2f5vA:
undetectable		 3pghA-2f5vA:
22.55
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.
2h56 DNA-3-METHYLADENINE
GLYCOSIDASE

(Bacillus
halodurans) 		PF00730
(HhH-GPD) 		5 VAL A  44
VAL A  68
LEU A  67
LEU A  78
GLY A  62
 None
 1.31A 3pghA-2h56A:
undetectable		 3pghA-2h56A:
17.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		5 LEU A 112
LEU A  77
GLY A  89
ALA A  90
LEU A  67
 None
 1.21A 3pghA-2j8kA:
undetectable		 3pghA-2j8kA:
19.63
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.
2nsg HYPOTHETICAL PROTEIN
CGL3021

(Corynebacterium
glutamicum) 		PF11716
(MDMPI_N) 		5 VAL A  53
VAL A 150
GLY A 153
SER A  39
LEU A  49
 None
 1.32A 3pghA-2nsgA:
0.0		 3pghA-2nsgA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 192
GLY A 166
ALA A 167
SER A 164
LEU A 189
 None
None
None
FAD  A 480 (-3.6A)
None
 1.29A 3pghA-2qaeA:
undetectable		 3pghA-2qaeA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qpx PREDICTED
METAL-DEPENDENT
HYDROLASE OF THE
TIM-BARREL FOLD

(Lactobacillus
paracasei) 		PF04909
(Amidohydro_2) 		5 LEU A 243
LEU A 175
GLY A 272
ALA A 271
LEU A 261
 None
 1.10A 3pghA-2qpxA:
undetectable		 3pghA-2qpxA:
22.13
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.
2rdx MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
PUTATIVE

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 289
LEU A 272
VAL A 304
ALA A 308
SER A 310
 None
 1.05A 3pghA-2rdxA:
undetectable		 3pghA-2rdxA:
19.97
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.
2vd2 ATP
PHOSPHORIBOSYLTRANSF
ERASE

(Bacillus
subtilis) 		PF01634
(HisG) 		5 VAL A 207
LEU A  88
GLY A  26
ALA A  25
LEU A  21
 None
 1.09A 3pghA-2vd2A:
undetectable		 3pghA-2vd2A:
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.
2xj9 MIPZ

(Caulobacter
vibrioides) 		PF09140
(MipZ) 		5 VAL A 183
TYR A 159
LEU A 143
GLY A  15
ALA A  16
 None
None
None
AGS  A1272 (-3.3A)
AGS  A1272 (-4.2A)
 0.98A 3pghA-2xj9A:
undetectable		 3pghA-2xj9A:
18.54
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.
3ch7 6-PHOSPHOGLUCONOLACT
ONASE

(Leishmania
braziliensis) 		PF01182
(Glucosamine_iso) 		5 VAL A 265
LEU A 232
GLY A 260
ALA A 261
LEU A 257
 None
 1.17A 3pghA-3ch7A:
undetectable		 3pghA-3ch7A:
17.66
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.
3d31 SULFATE/MOLYBDATE
ABC TRANSPORTER,
PERMEASE PROTEIN

(Methanosarcina
acetivorans) 		PF00528
(BPD_transp_1) 		5 VAL C 144
GLY C  68
ALA C  67
SER C  64
LEU C  63
 None
 1.28A 3pghA-3d31C:
1.2		 3pghA-3d31C:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3emk GLUCOSE/RIBITOL
DEHYDROGENASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 VAL A  33
LEU A  50
GLY A  13
ALA A  14
LEU A  35
 None
 1.16A 3pghA-3emkA:
undetectable		 3pghA-3emkA:
16.81
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.
3grp 3-OXOACYL-(ACYL
CARRIERPROTEIN)
REDUCTASE

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		5 VAL A  33
LEU A  50
GLY A  13
ALA A  14
LEU A  35
 None
 1.10A 3pghA-3grpA:
undetectable		 3pghA-3grpA:
17.72
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.
3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF00975
(Thioesterase) 		5 VAL A1957
LEU A2025
GLY A1940
ALA A1943
LEU A1960
 None
 1.28A 3pghA-3ilsA:
undetectable		 3pghA-3ilsA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k31 ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE

(Anaplasma
phagocytophilum) 		PF13561
(adh_short_C2) 		5 VAL A  38
VAL A  51
ALA A  55
SER A  57
LEU A  58
 None
 1.09A 3pghA-3k31A:
undetectable		 3pghA-3k31A:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k8z NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 VAL A  24
VAL A 347
LEU A 348
VAL A 408
GLY A 105
 None
 1.19A 3pghA-3k8zA:
undetectable		 3pghA-3k8zA:
21.04
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.
3kty PROBABLE
METHYLTRANSFERASE

(Bordetella
pertussis) 		PF00588
(SpoU_methylase) 		5 VAL A 118
LEU A  81
GLY A 104
ALA A 103
LEU A 165
 None
 1.15A 3pghA-3ktyA:
undetectable		 3pghA-3ktyA:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 VAL A 345
LEU A 436
GLY A 186
ALA A 185
LEU A 371
 None
 1.29A 3pghA-3mruA:
undetectable		 3pghA-3mruA:
22.11
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.
3nfq TRANSCRIPTION FACTOR
IWS1

(Saccharomyces
cerevisiae) 		PF08711
(Med26) 		5 VAL A  81
LEU A  85
VAL A  60
ALA A 105
LEU A 106
 None
 1.06A 3pghA-3nfqA:
undetectable		 3pghA-3nfqA:
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.
3nwu SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF13365
(Trypsin_2) 		5 VAL A 209
LEU A 364
GLY A 341
SER A 357
LEU A 267
 None
 1.26A 3pghA-3nwuA:
undetectable		 3pghA-3nwuA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyq MALONYL-COA LIGASE

(Streptomyces
coelicolor) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 VAL A 280
LEU A 257
LEU A 264
GLY A 277
ALA A 273
 None
 1.29A 3pghA-3nyqA:
undetectable		 3pghA-3nyqA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzt GLUTAMATE--CYSTEINE
LIGASE

(Francisella
tularensis) 		PF04262
(Glu_cys_ligase) 		5 VAL A 308
VAL A 331
TYR A 169
LEU A 335
VAL A 312
 None
 0.71A 3pghA-3nztA:
undetectable		 3pghA-3nztA:
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.
3odm PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Clostridium
perfringens) 		PF14010
(PEPcase_2) 		5 LEU A 170
VAL A 220
GLY A 222
ALA A 223
LEU A 177
 None
 1.19A 3pghA-3odmA:
undetectable		 3pghA-3odmA:
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.
3orf DIHYDROPTERIDINE
REDUCTASE

(Dictyostelium
discoideum) 		PF00106
(adh_short) 		5 VAL A 121
VAL A  18
LEU A 200
GLY A   9
ALA A  74
 None
None
None
NAD  A 901 ( 3.7A)
NAD  A 901 (-4.9A)
 1.26A 3pghA-3orfA:
undetectable		 3pghA-3orfA:
16.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oz7 PHOSPHOGLYCERATE
KINASE

(Plasmodium
falciparum) 		PF00162
(PGK) 		5 VAL A  21
LEU A  50
VAL A 182
ALA A 184
SER A   7
 None
 1.22A 3pghA-3oz7A:
undetectable		 3pghA-3oz7A:
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.
3re1 UROPORPHYRINOGEN-III
SYNTHETASE

(Pseudomonas
syringae group
genomosp. 3) 		PF02602
(HEM4) 		5 VAL A 178
LEU A 186
GLY A 202
ALA A 201
LEU A 174
 None
 1.18A 3pghA-3re1A:
undetectable		 3pghA-3re1A:
17.11
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.
3t1i DOUBLE-STRAND BREAK
REPAIR PROTEIN
MRE11A

(Homo sapiens) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 VAL A 122
LEU A  57
VAL A  52
ALA A  47
LEU A  44
 None
 1.25A 3pghA-3t1iA:
undetectable		 3pghA-3t1iA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tal DNA DOUBLE-STRAND
BREAK REPAIR PROTEIN
NURA

(Pyrococcus
furiosus) 		PF09376
(NurA) 		5 LEU A 180
VAL A  50
GLY A  52
ALA A  69
SER A  68
 None
 1.26A 3pghA-3talA:
undetectable		 3pghA-3talA:
23.00
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.
3tpa HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		5 VAL A 142
VAL A  44
GLY A  56
ALA A  58
LEU A  74
 None
 1.20A 3pghA-3tpaA:
undetectable		 3pghA-3tpaA:
22.54
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.
3u6n HIGH-CONDUCTANCE
CA2+-ACTIVATED K+
CHANNEL PROTEIN

(Danio rerio) 		PF02254
(TrkA_N)
PF03493
(BK_channel_a) 		5 VAL A 723
LEU A 503
GLY A 492
ALA A 495
LEU A 745
 None
 1.18A 3pghA-3u6nA:
undetectable		 3pghA-3u6nA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ugm TAL EFFECTOR
AVRBS3/PTHA

(Xanthomonas
oryzae) 		PF03377
(TAL_effector) 		5 LEU A 986
LEU A 968
GLY A1015
ALA A1011
SER A1012
 None
 1.24A 3pghA-3ugmA:
undetectable		 3pghA-3ugmA:
19.94
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.
3urh DIHYDROLIPOYL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 193
GLY A 167
ALA A 168
SER A 165
LEU A 190
 None
None
None
FAD  A 500 (-3.5A)
None
 1.28A 3pghA-3urhA:
undetectable		 3pghA-3urhA:
20.89
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 TYR A 338
TRP A 337
VAL A  82
ALA A  86
LEU A  91
 None
 1.02A 3pghA-3uw2A:
undetectable		 3pghA-3uw2A:
20.68
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 VAL A 199
TYR A  96
GLY A 164
ALA A 165
LEU A 171
 None
FMN  A 500 (-3.4A)
None
None
None
 1.02A 3pghA-3x0yA:
undetectable		 3pghA-3x0yA:
19.44
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.
4a69 HISTONE DEACETYLASE
3,
NUCLEAR RECEPTOR
COREPRESSOR 2

(Homo sapiens) 		PF00249
(Myb_DNA-binding)
PF00850
(Hist_deacetyl) 		5 VAL A 300
LEU C 472
ALA A  30
SER A  34
LEU A  31
 I0P  C 501 (-4.2A)
None
None
None
None
 1.18A 3pghA-4a69A:
undetectable		 3pghA-4a69A:
21.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhy ALANINE RACEMASE

(Aeromonas
hydrophila) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 VAL A 289
LEU A 240
GLY A 312
ALA A 313
LEU A 309
 None
 1.16A 3pghA-4bhyA:
undetectable		 3pghA-4bhyA:
19.36
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.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.02A 3pghA-4c13A:
undetectable		 3pghA-4c13A:
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 VAL A 147
LEU A 148
GLY A 191
ALA A 192
LEU A 139
 None
 1.08A 3pghA-4dwqA:
undetectable		 3pghA-4dwqA:
19.90
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.
4fbq DNA REPAIR AND
TELOMERE MAINTENANCE
PROTEIN NBS1,DNA
REPAIR PROTEIN RAD32
CHIMERIC PROTEIN

(Schizosaccharomyces
pombe) 		PF00149
(Metallophos)
PF04152
(Mre11_DNA_bind) 		5 VAL A1127
LEU A1062
VAL A1057
ALA A1052
LEU A1049
 None
 1.27A 3pghA-4fbqA:
undetectable		 3pghA-4fbqA:
23.71
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.
4fcx DNA REPAIR PROTEIN
RAD32

(Schizosaccharomyces
pombe) 		no annotation 5 VAL B 127
LEU B  62
VAL B  57
ALA B  52
LEU B  49
 None
 1.28A 3pghA-4fcxB:
undetectable		 3pghA-4fcxB:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g3j STEROL
14-ALPHA-DEMETHYLASE

(Trypanosoma
brucei) 		PF00067
(p450) 		5 LEU A 261
LEU A 188
VAL A 281
GLY A 283
LEU A 236
 None
 0.83A 3pghA-4g3jA:
1.2		 3pghA-4g3jA:
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.
4h1g MALTOSE BINDING
PROTEIN-CAKAR3 MOTOR
DOMAIN FUSION
PROTEIN

(Candida
albicans;
Escherichia
coli) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		5 VAL A -27
LEU A-210
GLY A-183
ALA A-182
LEU A  -9
 None
 1.32A 3pghA-4h1gA:
undetectable		 3pghA-4h1gA:
22.32
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.
4heq FLAVODOXIN

(Desulfovibrio
gigas) 		PF00258
(Flavodoxin_1) 		5 VAL A  53
LEU A   5
GLY A  45
ALA A  81
LEU A  83
 None
 1.04A 3pghA-4heqA:
undetectable		 3pghA-4heqA:
14.61
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.
4hqn SPOROZOITE SURFACE
PROTEIN 2

(Plasmodium
vivax) 		PF00090
(TSP_1)
PF00092
(VWA) 		5 LEU A 168
LEU A 133
GLY A 200
ALA A 199
LEU A 181
 None
 1.04A 3pghA-4hqnA:
undetectable		 3pghA-4hqnA:
17.32
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.
4ifp MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NACHT, LRR
AND PYD
DOMAINS-CONTAINING
PROTEIN 1

(Escherichia
coli;
Homo sapiens) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 VAL A 344
LEU A 161
GLY A 188
ALA A 189
LEU A 362
 None
 1.27A 3pghA-4ifpA:
undetectable		 3pghA-4ifpA:
21.12
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.
4ol0 TRANSPORTIN-3

(Homo sapiens) 		PF08389
(Xpo1) 		5 VAL B 154
LEU B 147
LEU B 173
ALA B 113
LEU B 117
 None
 1.25A 3pghA-4ol0B:
undetectable		 3pghA-4ol0B:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 VAL A 117
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
ALA A 528
SER A 531
LEU A 532
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.54A 3pghA-4ph9A:
63.3		 3pghA-4ph9A:
99.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 VAL A 117
VAL A 350
LEU A 353
TYR A 356
LEU A 360
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 532
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 4.9A)
 0.37A 3pghA-4ph9A:
63.3		 3pghA-4ph9A:
99.27
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.
4rjk ACETOLACTATE
SYNTHASE

(Bacillus
subtilis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A  21
VAL A  80
LEU A 109
GLY A  29
LEU A  25
 None
 1.17A 3pghA-4rjkA:
undetectable		 3pghA-4rjkA:
22.46
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.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 5 VAL A 389
VAL A 400
VAL A 437
GLY A 414
LEU A 387
 None
 0.98A 3pghA-4ru5A:
undetectable		 3pghA-4ru5A:
21.17
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.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		5 VAL B  61
VAL B 139
LEU B  39
GLY B 300
LEU B  68
 None
 1.00A 3pghA-4tx2B:
undetectable		 3pghA-4tx2B:
22.41
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.
4xwh ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Homo sapiens) 		PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		5 VAL A 667
VAL A 568
LEU A 571
LEU A 517
ALA A 605
 None
 1.32A 3pghA-4xwhA:
undetectable		 3pghA-4xwhA:
21.09
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.
4y1l RWD
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		PF05773
(RWD) 		5 VAL C 107
LEU C 110
LEU C  19
GLY C  74
LEU C  64
 None
 1.14A 3pghA-4y1lC:
undetectable		 3pghA-4y1lC:
11.21
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		5 LEU A 172
LEU A 137
GLY A 149
ALA A 150
LEU A 127
 None
 1.16A 3pghA-4yeiA:
undetectable		 3pghA-4yeiA:
16.72
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.
4yk6 ADENOMATOUS
POLYPOSIS COLI
PROTEIN

(Homo sapiens) 		PF00514
(Arm)
PF16629
(Arm_APC_u3) 		5 VAL A 642
VAL A 609
GLY A 611
ALA A 612
LEU A 616
 None
 1.00A 3pghA-4yk6A:
undetectable		 3pghA-4yk6A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z8z UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		no annotation 5 VAL A 237
VAL A 219
LEU A 225
ALA A 150
LEU A 152
 None
 1.01A 3pghA-4z8zA:
undetectable		 3pghA-4z8zA:
18.79
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.
5c0u ALKYLMERCURY LYASE

(Escherichia
coli) 		PF03243
(MerB)
PF12324
(HTH_15) 		5 VAL A 189
VAL A 113
LEU A 126
ALA A  97
LEU A 101
 None
 0.80A 3pghA-5c0uA:
undetectable		 3pghA-5c0uA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fq8 BT_2262
(UNCHARACTERISED
LIPOPROTEIN)

(Bacteroides
thetaiotaomicron) 		PF16403
(DUF5011)
PF16404
(DUF5012) 		5 VAL G 172
TYR G 141
LEU G 137
GLY G 202
ALA G 201
 None
 1.02A 3pghA-5fq8G:
undetectable		 3pghA-5fq8G:
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.
5hft GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Klebsiella
pneumoniae) 		PF01019
(G_glu_transpept) 		5 LEU A  54
LEU B 371
TRP A 111
GLY A 106
ALA A 105
 None
 1.10A 3pghA-5hftA:
undetectable		 3pghA-5hftA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hm5 TOPOISOMERASE V

(Methanopyrus
kandleri) 		PF13412
(HTH_24)
PF14520
(HHH_5) 		5 VAL A 437
VAL A 419
LEU A 413
GLY A 456
LEU A 463
 None
 1.09A 3pghA-5hm5A:
0.0		 3pghA-5hm5A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iaa UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 5

(Homo sapiens) 		PF00899
(ThiF) 		5 VAL A 269
LEU A 101
LEU A 179
GLY A  98
LEU A  92
 None
 1.03A 3pghA-5iaaA:
undetectable		 3pghA-5iaaA:
18.10
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.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 VAL B 444
VAL B 453
GLY B 451
ALA B 450
LEU B 485
 None
 1.10A 3pghA-5iklB:
undetectable		 3pghA-5iklB:
22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 VAL A 116
VAL A 349
LEU A 352
TYR A 355
LEU A 359
TYR A 385
TRP A 387
VAL A 523
GLY A 526
ALA A 527
SER A 530
LEU A 531
 None
ID8  A 601 (-3.9A)
ID8  A 601 (-4.1A)
ID8  A 601 (-3.8A)
None
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
 0.48A 3pghA-5ikrA:
25.9		 3pghA-5ikrA:
87.70
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.
5jkj ESTERASE E22

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		5 LEU A 304
LEU A 117
GLY A 239
SER A 243
LEU A 244
 None
 0.97A 3pghA-5jkjA:
undetectable		 3pghA-5jkjA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jvb PHOSPHONATE ABC
TRANSPORTER,
PERIPLASMIC
PHOSPHONATE-BINDING
PROTEIN

(Trichodesmium
erythraeum) 		no annotation 5 LEU A 185
TYR A  55
VAL A 157
GLY A 126
LEU A 177
 None
2PO  A 301 (-4.5A)
None
None
None
 1.27A 3pghA-5jvbA:
undetectable		 3pghA-5jvbA:
17.66
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 VAL A 143
VAL A 162
LEU A 247
GLY A 198
ALA A 197
 None
 1.31A 3pghA-5kdxA:
undetectable		 3pghA-5kdxA:
19.42
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 VAL A 162
LEU A 247
GLY A 198
ALA A 197
LEU A 194
 None
 1.00A 3pghA-5kdxA:
undetectable		 3pghA-5kdxA:
19.42
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.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 5 VAL B 765
VAL B 464
GLY B 467
ALA B 468
LEU B 471
 None
 1.02A 3pghA-5khnB:
undetectable		 3pghA-5khnB:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lcn UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF12146
(Hydrolase_4) 		5 VAL A 214
LEU A 177
TYR A  84
GLY A 147
ALA A 152
 None
 1.32A 3pghA-5lcnA:
undetectable		 3pghA-5lcnA:
18.63
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.
5m60 BETA-1,3-GLUCANASE

(Chaetomium
thermophilum) 		PF12708
(Pectate_lyase_3) 		5 VAL A 328
LEU A 296
VAL A 347
GLY A 349
ALA A 336
 None
 1.29A 3pghA-5m60A:
undetectable		 3pghA-5m60A:
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.
5mlz DOLICHOL
MONOPHOSPHATE
MANNOSE SYNTHASE

(Pyrococcus
furiosus) 		PF00535
(Glycos_transf_2)
PF04138
(GtrA) 		5 VAL A 156
VAL A 141
GLY A 137
ALA A 138
SER A 135
 None
 1.19A 3pghA-5mlzA:
1.8		 3pghA-5mlzA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mrw POTASSIUM-TRANSPORTI
NG ATPASE
POTASSIUM-BINDING
SUBUNIT

(Escherichia
coli) 		PF03814
(KdpA) 		5 VAL A 181
LEU A  16
LEU A  23
ALA A 258
LEU A 228
 None
 1.31A 3pghA-5mrwA:
undetectable		 3pghA-5mrwA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5npy FLAGELLAR BASAL BODY
PROTEIN

(Helicobacter
pylori) 		no annotation 5 VAL A 421
VAL A 197
LEU A 466
LEU A 199
GLY A 194
 None
 1.10A 3pghA-5npyA:
undetectable		 3pghA-5npyA:
21.77
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.
5o25 TMPDE

(Thermotoga
maritima) 		no annotation 5 VAL A 252
VAL A 277
LEU A 310
GLY A 285
ALA A 290
 None
None
None
PG4  A 403 (-3.5A)
None
 1.19A 3pghA-5o25A:
undetectable		 3pghA-5o25A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vae ACCESSORY SEC SYSTEM
PROTEIN ASP1

(Streptococcus
gordonii) 		no annotation 5 LEU A 422
GLY A 451
ALA A 450
SER A 449
LEU A 312
 None
 1.18A 3pghA-5vaeA:
undetectable		 3pghA-5vaeA:
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.
5wq6 MBP TAGGED HMNDA-PYD

(Homo sapiens) 		PF02758
(PYRIN)
PF13416
(SBP_bac_8) 		5 VAL A 344
LEU A 161
GLY A 188
ALA A 189
LEU A 362
 None
 1.32A 3pghA-5wq6A:
undetectable		 3pghA-5wq6A:
20.20
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.
5zvt C-TERMINUS OF OUTER
CAPSID PROTEIN VP5

(Aquareovirus C) 		no annotation 5 VAL B 353
LEU B 444
GLY B 401
ALA B 400
LEU B 422
 None
 1.07A 3pghA-5zvtB:
undetectable		 3pghA-5zvtB:
10.00
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 VAL A 782
LEU A 709
LEU A 769
GLY A 774
ALA A 739
 None
 1.26A 3pghA-6b6lA:
undetectable		 3pghA-6b6lA:
20.08
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.
6co9 PROBABLE
COA-TRANSFERASE
ALPHA SUBUNIT

(Rhodococcus
jostii) 		no annotation 5 VAL A  53
LEU A 112
VAL A 170
ALA A 168
LEU A 165
 None
 1.19A 3pghA-6co9A:
undetectable		 3pghA-6co9A:
9.94
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 VAL A1059
VAL A1078
LEU A1081
VAL A1093
LEU A1057
 None
 0.93A 3pghA-6fn1A:
undetectable		 3pghA-6fn1A:
7.35