SIMILAR PATTERNS OF AMINO ACIDS FOR 1EKJ_F_ACTF3008

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.
1b2w PROTEIN (ANTIBODY
(HEAVY CHAIN))

(Homo sapiens;
Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN H   6
VAL H 113
GLY H   8
GLY H   9
 None
 0.66A 1ekjE-1b2wH:
0.0
1ekjF-1b2wH:
undetectable		 1ekjE-1b2wH:
20.63
1ekjF-1b2wH:
20.63
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.
1buc BUTYRYL-COA
DEHYDROGENASE

(Megasphaera
elsdenii) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 PHE A 197
ASP A 192
GLY A 165
GLY A 164
 None
 0.54A 1ekjE-1bucA:
0.0
1ekjF-1bucA:
0.0		 1ekjE-1bucA:
20.05
1ekjF-1bucA:
20.05
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.
1c2n CYTOCHROME C2

(Rhodobacter
capsulatus) 		no annotation 4 PHE A  98
CYH A  13
GLY A 104
GLY A 103
 HEC  A 117 (-2.7A)
HEC  A 117 (-1.8A)
None
None
 0.85A 1ekjE-1c2nA:
undetectable
1ekjF-1c2nA:
undetectable		 1ekjE-1c2nA:
23.53
1ekjF-1c2nA:
23.53
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.
1c2n CYTOCHROME C2

(Rhodobacter
capsulatus) 		no annotation 4 PHE A  98
VAL A  76
GLY A 103
GLY A 104
 HEC  A 117 (-2.7A)
HEC  A 117 (-4.9A)
None
None
 0.89A 1ekjE-1c2nA:
undetectable
1ekjF-1c2nA:
undetectable		 1ekjE-1c2nA:
23.53
1ekjF-1c2nA:
23.53
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.
1c9l CLATHRIN

(Rattus
norvegicus) 		PF01394
(Clathrin_propel)
PF09268
(Clathrin-link) 		4 GLN A 223
VAL A 220
GLY A 225
GLY A 226
 None
 0.84A 1ekjE-1c9lA:
undetectable
1ekjF-1c9lA:
0.0		 1ekjE-1c9lA:
21.19
1ekjF-1c9lA:
21.19
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.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 PHE A 168
TYR A 190
CYH A 403
GLY A 463
GLY A 464
 None
None
ZN  A   2 (-2.3A)
None
None
 0.69A 1ekjE-1ddzA:
18.7
1ekjF-1ddzA:
18.6		 1ekjE-1ddzA:
19.38
1ekjF-1ddzA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ddz CARBONIC ANHYDRASE

(Porphyridium
purpureum) 		PF00484
(Pro_CA) 		5 PHE A 422
TYR A 444
CYH A 149
GLY A 209
GLY A 210
 None
None
ZN  A   1 (-2.4A)
ZN  A   1 (-4.7A)
None
 0.55A 1ekjE-1ddzA:
18.7
1ekjF-1ddzA:
18.6		 1ekjE-1ddzA:
19.38
1ekjF-1ddzA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 TYR A 262
VAL A 296
GLY A 318
GLY A 319
 None
 0.82A 1ekjE-1e8tA:
0.0
1ekjF-1e8tA:
0.0		 1ekjE-1e8tA:
17.65
1ekjF-1e8tA:
17.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ekj BETA-CARBONIC
ANHYDRASE

(Pisum sativum) 		PF00484
(Pro_CA) 		5 CYH A 160
ASP A 162
VAL A 184
GLY A 224
GLY A 225
 ZN  A4001 (-2.2A)
ACT  A3001 (-4.0A)
ACT  A3001 ( 4.9A)
ACT  A3001 (-3.4A)
ACT  A3001 (-3.7A)
 0.15A 1ekjE-1ekjA:
32.7
1ekjF-1ekjA:
31.8		 1ekjE-1ekjA:
100.00
1ekjF-1ekjA:
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		4 GLN A 311
VAL A 101
GLY A  13
GLY A  14
 None
None
FAD  A 699 (-3.4A)
None
 0.86A 1ekjE-1fcdA:
0.8
1ekjF-1fcdA:
0.7		 1ekjE-1fcdA:
20.81
1ekjF-1fcdA:
20.81
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.
1gm1 PROTEIN TYROSINE
PHOSPHATASE

(Mus musculus) 		PF00595
(PDZ) 		4 GLN A 100
VAL A  37
GLY A  41
GLY A  32
 None
 0.88A 1ekjE-1gm1A:
0.0
1ekjF-1gm1A:
0.0		 1ekjE-1gm1A:
21.50
1ekjF-1gm1A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i8k EPIDERMAL GROWTH
FACTOR RECEPTOR
ANTIBODY MR1SCFV
HEAVY CHAIN

(Mus musculus) 		PF07686
(V-set) 		4 GLN B 306
VAL B 416
GLY B 308
GLY B 309
 None
 0.74A 1ekjE-1i8kB:
0.0
1ekjF-1i8kB:
0.0		 1ekjE-1i8kB:
19.27
1ekjF-1i8kB:
19.27
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.
1kea POSSIBLE G-T
MISMATCHES REPAIR
ENZYME

(Methanothermobacter
thermautotrophicus) 		PF00730
(HhH-GPD) 		4 ASP A 184
VAL A 177
GLY A 180
GLY A 179
 None
 0.68A 1ekjE-1keaA:
undetectable
1ekjF-1keaA:
undetectable		 1ekjE-1keaA:
18.99
1ekjF-1keaA:
18.99
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 GLN A 585
CYH A 150
GLY A 795
GLY A 796
 None
FES  A3001 ( 2.3A)
None
MTE  A3003 (-3.8A)
 0.77A 1ekjE-1n5xA:
undetectable
1ekjF-1n5xA:
undetectable		 1ekjE-1n5xA:
10.37
1ekjF-1n5xA:
10.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n8p CYSTATHIONINE
GAMMA-LYASE

(Saccharomyces
cerevisiae) 		PF01053
(Cys_Met_Meta_PP) 		4 TYR A 204
VAL A 257
GLY A 306
GLY A 305
 None
 0.88A 1ekjE-1n8pA:
undetectable
1ekjF-1n8pA:
undetectable		 1ekjE-1n8pA:
22.96
1ekjF-1n8pA:
22.96
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.
1tnu GERANYLGERANYL
TRANSFERASE TYPE I
BETA SUBUNIT

(Rattus
norvegicus) 		PF00432
(Prenyltrans) 		4 TYR B 272
VAL B 276
GLY B 221
GLY B 220
 None
None
MGM  B 379 ( 3.9A)
None
 0.84A 1ekjE-1tnuB:
undetectable
1ekjF-1tnuB:
undetectable		 1ekjE-1tnuB:
20.78
1ekjF-1tnuB:
20.78
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.
1v3t LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE/PROSTAGLANDIN
15-KETO REDUCTASE

(Cavia porcellus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 ASP A 212
VAL A 139
GLY A 142
GLY A 141
 None
 0.75A 1ekjE-1v3tA:
undetectable
1ekjF-1v3tA:
undetectable		 1ekjE-1v3tA:
21.56
1ekjF-1v3tA:
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.
1xfi UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01937
(DUF89) 		4 ASP A 220
VAL A 317
GLY A 321
GLY A 323
 MG  A 400 (-2.7A)
None
None
None
 0.86A 1ekjE-1xfiA:
2.7
1ekjF-1xfiA:
2.6		 1ekjE-1xfiA:
21.39
1ekjF-1xfiA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xrc S-ADENOSYLMETHIONINE
SYNTHETASE

(Escherichia
coli) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 PHE A 262
ASP A 271
GLY A 259
GLY A 258
 None
CO  A 411 (-3.1A)
None
None
 0.89A 1ekjE-1xrcA:
undetectable
1ekjF-1xrcA:
undetectable		 1ekjE-1xrcA:
18.44
1ekjF-1xrcA:
18.44
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.
1z3q THAUMATIN-LIKE
PROTEIN

(Musa acuminata) 		PF00314
(Thaumatin) 		4 TYR A  74
VAL A  18
GLY A  41
GLY A  42
 None
 0.88A 1ekjE-1z3qA:
undetectable
1ekjF-1z3qA:
undetectable		 1ekjE-1z3qA:
19.49
1ekjF-1z3qA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ckh SENTRIN-SPECIFIC
PROTEASE 1

(Homo sapiens) 		PF02902
(Peptidase_C48) 		4 GLN A 596
CYH A 535
GLY A 553
GLY A 554
 None
 0.78A 1ekjE-2ckhA:
undetectable
1ekjF-2ckhA:
undetectable		 1ekjE-2ckhA:
18.18
1ekjF-2ckhA:
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ASP A 153
VAL A 164
GLY A 211
GLY A 198
 None
 0.89A 1ekjE-2d5lA:
undetectable
1ekjF-2d5lA:
undetectable		 1ekjE-2d5lA:
17.20
1ekjF-2d5lA:
17.20
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.
2ef4 ARGINASE

(Thermus
thermophilus) 		PF00491
(Arginase) 		4 ASP A  21
VAL A   9
GLY A  95
GLY A  94
 None
 0.91A 1ekjE-2ef4A:
undetectable
1ekjF-2ef4A:
undetectable		 1ekjE-2ef4A:
21.90
1ekjF-2ef4A:
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.
2esf CARBONIC ANHYDRASE 2

(Escherichia
coli) 		PF00484
(Pro_CA) 		4 CYH A  42
VAL A  66
GLY A 102
GLY A 103
 ZN  A 300 (-2.3A)
None
None
None
 0.17A 1ekjE-2esfA:
20.9
1ekjF-2esfA:
20.9		 1ekjE-2esfA:
27.73
1ekjF-2esfA:
27.73
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.
2i9k MODIFICATION
METHYLASE HHAI

(Haemophilus
haemolyticus) 		PF00145
(DNA_methylase) 		5 GLN A 301
PHE A 302
TYR A 289
GLY A  22
GLY A  23
 None
None
None
None
SAH  A 328 (-3.6A)
 1.49A 1ekjE-2i9kA:
undetectable
1ekjF-2i9kA:
undetectable		 1ekjE-2i9kA:
21.36
1ekjF-2i9kA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ig2 IGG1-LAMBDA KOL FAB
(HEAVY CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN H   6
VAL H 114
GLY H   8
GLY H   9
 None
 0.74A 1ekjE-2ig2H:
undetectable
1ekjF-2ig2H:
undetectable		 1ekjE-2ig2H:
19.61
1ekjF-2ig2H:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jty TYPE-1 FIMBRIAL
PROTEIN, A CHAIN

(Escherichia
coli) 		PF00419
(Fimbrial) 		4 TYR A 137
VAL A  37
GLY A 179
GLY A  35
 None
 0.79A 1ekjE-2jtyA:
undetectable
1ekjF-2jtyA:
undetectable		 1ekjE-2jtyA:
22.07
1ekjF-2jtyA:
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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE

(Danio rerio) 		PF00149
(Metallophos) 		4 GLN A 205
ASP A 151
GLY A 200
GLY A 199
 None
 0.81A 1ekjE-2nxfA:
undetectable
1ekjF-2nxfA:
undetectable		 1ekjE-2nxfA:
21.65
1ekjF-2nxfA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 PHE A 282
ASP A 291
GLY A 279
GLY A 278
 None
 0.90A 1ekjE-2obvA:
undetectable
1ekjF-2obvA:
undetectable		 1ekjE-2obvA:
19.95
1ekjF-2obvA:
19.95
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.
2ood BLR3880 PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF01979
(Amidohydro_1) 		4 CYH A 295
ASP A 326
VAL A 293
GLY A 272
 None
GUN  A 600 ( 2.5A)
None
None
 0.90A 1ekjE-2oodA:
undetectable
1ekjF-2oodA:
undetectable		 1ekjE-2oodA:
20.04
1ekjF-2oodA:
20.04
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.
2qna IMPORTIN SUBUNIT
BETA-1
SNURPORTIN-1

(Homo sapiens;
Homo sapiens) 		PF13513
(HEAT_EZ)
PF11538
(Snurportin1) 		5 GLN B  40
ASP A 627
VAL A 666
GLY A 623
GLY A 622
 None
 1.41A 1ekjE-2qnaB:
undetectable
1ekjF-2qnaB:
undetectable		 1ekjE-2qnaB:
13.88
1ekjF-2qnaB:
13.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3n CARBONIC ANHYDRASE 2

(Cryptococcus
neoformans) 		PF00484
(Pro_CA) 		5 CYH A  68
ASP A  70
VAL A  92
GLY A 128
GLY A 129
 ZN  A1232 ( 2.2A)
ACT  A1233 (-3.8A)
ACT  A1233 ( 4.1A)
ACT  A1233 (-3.4A)
ACT  A1233 (-3.9A)
 0.20A 1ekjE-2w3nA:
21.2
1ekjF-2w3nA:
21.2		 1ekjE-2w3nA:
27.91
1ekjF-2w3nA:
27.91
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.
2x60 MANNOSE-1-PHOSPHATE
GUANYLYLTRANSFERASE

(Thermotoga
maritima) 		PF00483
(NTP_transferase) 		4 PHE A  27
TYR A  61
GLY A  10
GLY A   9
 None
None
GTP  A 601 (-3.3A)
GTP  A 601 (-3.1A)
 0.75A 1ekjE-2x60A:
undetectable
1ekjF-2x60A:
undetectable		 1ekjE-2x60A:
20.54
1ekjF-2x60A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xev YBGF

(Xanthomonas
campestris) 		PF13525
(YfiO) 		4 TYR A  42
ASP A  72
GLY A  76
GLY A  77
 None
 0.91A 1ekjE-2xevA:
undetectable
1ekjF-2xevA:
undetectable		 1ekjE-2xevA:
19.20
1ekjF-2xevA:
19.20
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.
2y05 PROSTAGLANDIN
REDUCTASE 1

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 ASP A 212
VAL A 139
GLY A 142
GLY A 141
 None
 0.63A 1ekjE-2y05A:
undetectable
1ekjF-2y05A:
undetectable		 1ekjE-2y05A:
20.97
1ekjF-2y05A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0h PHOTOSYSTEM II CP43
PROTEIN

(Thermosynechococcus
vulcanus) 		PF00421
(PSII) 		4 PHE C 301
TYR C 186
VAL C  99
GLY C 102
 None
 0.90A 1ekjE-3a0hC:
undetectable
1ekjF-3a0hC:
undetectable		 1ekjE-3a0hC:
20.58
1ekjF-3a0hC:
20.58
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.
3a2q 6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE

(Arthrobacter
sp. KI72) 		PF01425
(Amidase) 		4 CYH A 182
VAL A 147
GLY A 153
GLY A 152
 None
 0.77A 1ekjE-3a2qA:
undetectable
1ekjF-3a2qA:
undetectable		 1ekjE-3a2qA:
19.08
1ekjF-3a2qA:
19.08
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.
3av6 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		4 PHE A1567
TYR A1565
GLY A1152
GLY A1153
 None
None
SAM  A   1 (-4.1A)
SAM  A   1 (-3.6A)
 0.49A 1ekjE-3av6A:
2.1
1ekjF-3av6A:
2.3		 1ekjE-3av6A:
10.57
1ekjF-3av6A:
10.57
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.
3bma D-ALANYL-LIPOTEICHOI
C ACID SYNTHETASE

(Streptococcus
pneumoniae) 		PF04914
(DltD) 		4 PHE A  54
TYR A 152
GLY A 107
GLY A 108
 None
None
SO4  A   3 (-3.5A)
SO4  A   3 (-3.9A)
 0.90A 1ekjE-3bmaA:
undetectable
1ekjF-3bmaA:
undetectable		 1ekjE-3bmaA:
20.72
1ekjF-3bmaA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bn9 E2 FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN D   6
VAL D 109
GLY D   8
GLY D   9
 None
 0.74A 1ekjE-3bn9D:
undetectable
1ekjF-3bn9D:
undetectable		 1ekjE-3bn9D:
20.75
1ekjF-3bn9D:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyx CARBONIC ANHYDRASE

(Saccharomyces
cerevisiae) 		PF00484
(Pro_CA) 		5 CYH A  57
ASP A  59
VAL A  80
GLY A 116
GLY A 117
 ZN  A   1 ( 2.3A)
ZN  A   1 ( 4.8A)
ACT  A 222 (-4.2A)
ACT  A 222 (-3.2A)
ACT  A 222 (-3.6A)
 0.43A 1ekjE-3eyxA:
21.3
1ekjF-3eyxA:
21.3		 1ekjE-3eyxA:
29.36
1ekjF-3eyxA:
29.36
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.
3i5g MYOSIN CATALYTIC
LIGHT CHAIN LC-1,
MANTLE MUSCLE

(Todarodes
pacificus) 		PF13405
(EF-hand_6) 		4 TYR C  63
VAL C  33
GLY C  53
GLY C  54
 None
 0.90A 1ekjE-3i5gC:
undetectable
1ekjF-3i5gC:
undetectable		 1ekjE-3i5gC:
20.09
1ekjF-3i5gC:
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.
3i7a PUTATIVE
METAL-DEPENDENT
PHOSPHOHYDROLASE

(Shewanella
amazonensis) 		PF08668
(HDOD) 		4 PHE A 227
TYR A 135
ASP A 226
GLY A 255
 None
 0.82A 1ekjE-3i7aA:
undetectable
1ekjF-3i7aA:
undetectable		 1ekjE-3i7aA:
24.92
1ekjF-3i7aA:
24.92
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus) 		PF01257
(2Fe-2S_thioredx) 		4 TYR 2 141
CYH 2  83
VAL 2 133
GLY 2 126
 None
FES  2 182 (-2.2A)
None
FES  2 182 (-4.3A)
 0.87A 1ekjE-3i9v2:
undetectable
1ekjF-3i9v2:
undetectable		 1ekjE-3i9v2:
21.59
1ekjF-3i9v2:
21.59
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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		4 ASP A 359
VAL A 395
GLY A 363
GLY A 364
 None
 0.91A 1ekjE-3ik2A:
undetectable
1ekjF-3ik2A:
undetectable		 1ekjE-3ik2A:
17.88
1ekjF-3ik2A:
17.88
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.
3iml S-ADENOSYLMETHIONINE
SYNTHETASE

(Burkholderia
pseudomallei) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 PHE A 266
ASP A 275
GLY A 263
GLY A 262
 None
 0.91A 1ekjE-3imlA:
undetectable
1ekjF-3imlA:
undetectable		 1ekjE-3imlA:
21.61
1ekjF-3imlA:
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.
3ism CG4930

(Drosophila
melanogaster) 		PF08785
(Ku_PK_bind) 		4 GLN C 135
PHE C 167
TYR C 158
GLY C 137
 None
 0.86A 1ekjE-3ismC:
undetectable
1ekjF-3ismC:
undetectable		 1ekjE-3ismC:
19.62
1ekjF-3ismC:
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.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		4 PHE A 187
VAL A 274
GLY A 161
GLY A 162
 None
 0.69A 1ekjE-3mdqA:
undetectable
1ekjF-3mdqA:
undetectable		 1ekjE-3mdqA:
23.00
1ekjF-3mdqA:
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.
3mf3 CARBONIC ANHYDRASE 2

(Haemophilus
influenzae) 		PF00484
(Pro_CA) 		4 CYH A  42
VAL A  66
GLY A 102
GLY A 103
 CO  A 230 (-2.2A)
None
None
None
 0.26A 1ekjE-3mf3A:
19.2
1ekjF-3mf3A:
19.1		 1ekjE-3mf3A:
27.87
1ekjF-3mf3A:
27.87
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.
3mn8 LP15968P

(Drosophila
melanogaster) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 GLN A 290
ASP A 228
GLY A 288
GLY A 287
 None
GEM  A 601 (-3.1A)
None
None
 0.86A 1ekjE-3mn8A:
undetectable
1ekjF-3mn8A:
undetectable		 1ekjE-3mn8A:
21.10
1ekjF-3mn8A:
21.10
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.
3nm1 THIAMINE
BIOSYNTHETIC
BIFUNCTIONAL ENZYME

([Candida]
glabrata) 		PF02110
(HK)
PF02581
(TMP-TENI) 		5 GLN A  43
TYR A 134
CYH A 207
VAL A 177
GLY A 136
 IFP  A 542 (-3.3A)
IFP  A 542 (-4.9A)
IFP  A 542 (-3.1A)
None
IFP  A 542 (-3.1A)
 1.41A 1ekjE-3nm1A:
undetectable
1ekjF-3nm1A:
undetectable		 1ekjE-3nm1A:
18.18
1ekjF-3nm1A:
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.
3nzp ARGININE
DECARBOXYLASE

(Campylobacter
jejuni) 		PF02784
(Orn_Arg_deC_N) 		4 PHE A  93
TYR A  83
VAL A 325
GLY A 322
 None
None
None
PLP  A 701 (-3.3A)
 0.90A 1ekjE-3nzpA:
undetectable
1ekjF-3nzpA:
undetectable		 1ekjE-3nzpA:
16.56
1ekjF-3nzpA:
16.56
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.
3ppl ASPARTATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF12897
(Aminotran_MocR) 		4 GLN A  96
ASP A 237
VAL A 235
GLY A  91
 None
 0.81A 1ekjE-3pplA:
undetectable
1ekjF-3pplA:
undetectable		 1ekjE-3pplA:
20.79
1ekjF-3pplA:
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.
3sds ORNITHINE
CARBAMOYLTRANSFERASE
, MITOCHONDRIAL

(Coccidioides
immitis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ASP A 254
VAL A 252
GLY A 293
GLY A 292
 None
 0.87A 1ekjE-3sdsA:
undetectable
1ekjF-3sdsA:
undetectable		 1ekjE-3sdsA:
21.86
1ekjF-3sdsA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ucn CARBONIC ANHYDRASE

(Coccomyxa sp.
PA) 		PF00484
(Pro_CA) 		4 CYH A  47
ASP A  49
VAL A  71
GLY A 107
 ZN  A 228 ( 2.3A)
AZI  A 229 (-4.2A)
None
AZI  A 229 (-4.1A)
 0.28A 1ekjE-3ucnA:
21.7
1ekjF-3ucnA:
21.6		 1ekjE-3ucnA:
28.69
1ekjF-3ucnA:
28.69
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.
3v4y SERINE/THREONINE-PRO
TEIN PHOSPHATASE
PP1-ALPHA CATALYTIC
SUBUNIT

(Homo sapiens) 		PF00149
(Metallophos)
PF16891
(STPPase_N) 		4 GLN A 249
ASP A 208
GLY A 174
GLY A 175
 None
 0.75A 1ekjE-3v4yA:
undetectable
1ekjF-3v4yA:
undetectable		 1ekjE-3v4yA:
21.54
1ekjF-3v4yA:
21.54
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.
3v65 LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 4

(Rattus
norvegicus) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 PHE B 644
ASP B 686
GLY B 515
GLY B 514
 None
 0.83A 1ekjE-3v65B:
undetectable
1ekjF-3v65B:
undetectable		 1ekjE-3v65B:
19.85
1ekjF-3v65B:
19.85
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.
3vgl GLUCOKINASE

(Streptomyces
griseus) 		PF00480
(ROK) 		4 TYR A 178
VAL A 160
GLY A 164
GLY A 173
 None
 0.87A 1ekjE-3vglA:
undetectable
1ekjF-3vglA:
undetectable		 1ekjE-3vglA:
23.64
1ekjF-3vglA:
23.64
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.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		4 PHE A 518
VAL A 217
GLY A 214
GLY A 215
 None
 0.64A 1ekjE-3vtaA:
undetectable
1ekjF-3vtaA:
undetectable		 1ekjE-3vtaA:
16.75
1ekjF-3vtaA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3we9 PUTATIVE
PHYTOENE/SQUALENE
SYNTHASE YISP

(Bacillus
subtilis) 		PF00494
(SQS_PSY) 		4 PHE A 101
CYH A  51
VAL A  47
GLY A 133
 None
None
None
PGE  A 900 ( 4.3A)
 0.90A 1ekjE-3we9A:
undetectable
1ekjF-3we9A:
undetectable		 1ekjE-3we9A:
23.00
1ekjF-3we9A:
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 PHE B 289
TYR B  52
VAL B 494
GLY B  54
 None
 0.85A 1ekjE-3ze7B:
undetectable
1ekjF-3ze7B:
undetectable		 1ekjE-3ze7B:
20.42
1ekjF-3ze7B:
20.42
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.
4dez DNA POLYMERASE IV 1

(Mycolicibacterium
smegmatis) 		PF00817
(IMS) 		4 GLN A 149
TYR A 110
ASP A 234
VAL A 237
 None
 0.86A 1ekjE-4dezA:
undetectable
1ekjF-4dezA:
undetectable		 1ekjE-4dezA:
19.89
1ekjF-4dezA:
19.89
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.
4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		4 ASP A  12
VAL A 168
GLY A 175
GLY A 176
 CIT  A 301 ( 2.7A)
None
CIT  A 301 ( 4.3A)
None
 0.74A 1ekjE-4eelA:
undetectable
1ekjF-4eelA:
undetectable		 1ekjE-4eelA:
23.60
1ekjF-4eelA:
23.60
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		4 TYR A 262
VAL A 296
GLY A 318
GLY A 319
 None
 0.84A 1ekjE-4fzhA:
undetectable
1ekjF-4fzhA:
undetectable		 1ekjE-4fzhA:
17.88
1ekjF-4fzhA:
17.88
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.
4g68 ABC TRANSPORTER

(Caldanaerobius) 		PF01547
(SBP_bac_1) 		4 PHE B 271
TYR B 144
GLY B 264
GLY B 263
 None
 0.78A 1ekjE-4g68B:
undetectable
1ekjF-4g68B:
undetectable		 1ekjE-4g68B:
21.03
1ekjF-4g68B:
21.03
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		4 PHE A 288
VAL A 208
GLY A 228
GLY A 227
 None
 0.74A 1ekjE-4hz8A:
undetectable
1ekjF-4hz8A:
undetectable		 1ekjE-4hz8A:
18.86
1ekjF-4hz8A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5t MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Saccharomyces
cerevisiae) 		PF03200
(Glyco_hydro_63)
PF16923
(Glyco_hydro_63N) 		4 ASP A  72
VAL A  70
GLY A  76
GLY A  77
 None
 0.85A 1ekjE-4j5tA:
undetectable
1ekjF-4j5tA:
undetectable		 1ekjE-4j5tA:
14.91
1ekjF-4j5tA:
14.91
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.
4jru THAUMATIN-LIKE
PROTEIN

(Vitis vinifera) 		PF00314
(Thaumatin) 		4 TYR A  98
VAL A  42
GLY A  65
GLY A  66
 None
 0.90A 1ekjE-4jruA:
undetectable
1ekjF-4jruA:
undetectable		 1ekjE-4jruA:
16.59
1ekjF-4jruA:
16.59
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.
4kc3 INTERLEUKIN-1
RECEPTOR-LIKE 1

(Homo sapiens) 		PF07679
(I-set) 		5 PHE B  74
TYR B  85
ASP B  81
VAL B 102
GLY B  83
 None
 1.21A 1ekjE-4kc3B:
undetectable
1ekjF-4kc3B:
undetectable		 1ekjE-4kc3B:
22.08
1ekjF-4kc3B:
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.
4kc5 RHIE PROTEIN

(Paraburkholderia
rhizoxinica) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 PHE A3441
TYR A3283
VAL A3448
GLY A3396
 None
 0.86A 1ekjE-4kc5A:
undetectable
1ekjF-4kc5A:
undetectable		 1ekjE-4kc5A:
14.25
1ekjF-4kc5A:
14.25
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.
4kdr 3-DEMETHYLUBIQUINONE
-9
3-METHYLTRANSFERASE

(Escherichia
coli) 		PF13489
(Methyltransf_23) 		4 TYR A 107
ASP A  62
GLY A  68
GLY A  67
 None
SAH  A 301 ( 4.5A)
None
None
 0.89A 1ekjE-4kdrA:
undetectable
1ekjF-4kdrA:
undetectable		 1ekjE-4kdrA:
19.28
1ekjF-4kdrA:
19.28
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 4 ASP A  38
VAL A  69
GLY A  40
GLY A  41
 NA  A 828 (-2.8A)
None
None
None
 0.90A 1ekjE-4lgnA:
undetectable
1ekjF-4lgnA:
undetectable		 1ekjE-4lgnA:
13.61
1ekjF-4lgnA:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lk5 ENOYL-COA HYDRATASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		4 PHE A 198
VAL A 113
GLY A  65
GLY A  64
 None
 0.89A 1ekjE-4lk5A:
undetectable
1ekjF-4lk5A:
undetectable		 1ekjE-4lk5A:
23.20
1ekjF-4lk5A:
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.
4myo VIRGINIAMYCIN A
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00132
(Hexapep) 		4 PHE A  25
TYR A  40
ASP A  10
GLY A   8
 None
 0.89A 1ekjE-4myoA:
undetectable
1ekjF-4myoA:
undetectable		 1ekjE-4myoA:
21.99
1ekjF-4myoA:
21.99
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.
4n3o PUTATIVE
D-GLYCERO-D-MANNO-HE
PTOSE 7-PHOSPHATE
KINASE

(Campylobacter
jejuni) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 PHE A 174
VAL A  32
GLY A  17
GLY A  16
 None
 0.91A 1ekjE-4n3oA:
undetectable
1ekjF-4n3oA:
undetectable		 1ekjE-4n3oA:
22.42
1ekjF-4n3oA:
22.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora) 		PF00484
(Pro_CA) 		4 CYH A  45
ASP A  47
GLY A 105
GLY A 106
 ZN  A 301 (-2.2A)
ZN  A 301 ( 4.6A)
None
None
 0.16A 1ekjE-4o1jA:
23.2
1ekjF-4o1jA:
23.2		 1ekjE-4o1jA:
35.71
1ekjF-4o1jA:
35.71
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.
4odb OUTER CAPSID PROTEIN
SIGMA-1
JUNCTIONAL ADHESION
MOLECULE A

(Mammalian
orthoreovirus;
Homo sapiens) 		PF01664
(Reo_sigma1)
PF07686
(V-set) 		4 GLN A 396
VAL A 469
GLY D 116
GLY D 115
 None
 0.91A 1ekjE-4odbA:
undetectable
1ekjF-4odbA:
undetectable		 1ekjE-4odbA:
17.47
1ekjF-4odbA:
17.47
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.
4oul CAPRIN-2

(Homo sapiens) 		PF00386
(C1q) 		4 CYH A1039
ASP A1098
VAL A1041
GLY A1043
 None
 0.85A 1ekjE-4oulA:
undetectable
1ekjF-4oulA:
undetectable		 1ekjE-4oulA:
22.22
1ekjF-4oulA:
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 ASP A 142
VAL A  69
GLY A  73
GLY A  72
 None
 0.73A 1ekjE-4pneA:
undetectable
1ekjF-4pneA:
undetectable		 1ekjE-4pneA:
21.36
1ekjF-4pneA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pw1 UNCHARACTERIZED
PROTEIN

([Clostridium]
leptum) 		no annotation 5 PHE A 143
TYR A 145
VAL A  87
GLY A  92
GLY A  93
 None
 1.21A 1ekjE-4pw1A:
undetectable
1ekjF-4pw1A:
undetectable		 1ekjE-4pw1A:
20.45
1ekjF-4pw1A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r2b EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1

(Ochrobactrum
anthropi) 		PF01547
(SBP_bac_1) 		4 GLN A 182
PHE A 179
GLY A 162
GLY A 163
 None
 0.84A 1ekjE-4r2bA:
undetectable
1ekjF-4r2bA:
undetectable		 1ekjE-4r2bA:
19.06
1ekjF-4r2bA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rmx PHI92_GP150

(Enterobacteria
phage phi92) 		no annotation 4 PHE A 680
VAL A 702
GLY A 706
GLY A 705
 None
 0.73A 1ekjE-4rmxA:
undetectable
1ekjF-4rmxA:
undetectable		 1ekjE-4rmxA:
15.57
1ekjF-4rmxA:
15.57
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.
4rwy ANTIBODY 8ANC131
HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN H   6
VAL H 109
GLY H   8
GLY H   9
 None
None
EDO  H 304 ( 3.5A)
EDO  H 304 ( 3.7A)
 0.70A 1ekjE-4rwyH:
undetectable
1ekjF-4rwyH:
undetectable		 1ekjE-4rwyH:
23.27
1ekjF-4rwyH:
23.27
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.
4rzc FV M6P-1 LIGHT CHAIN
FV M6P-1 HEAVY CHAIN

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus) 		no annotation
no annotation 		4 PHE L  98
TYR H 100
GLY H  99
GLY H 100
 None
 0.90A 1ekjE-4rzcL:
undetectable
1ekjF-4rzcL:
undetectable		 1ekjE-4rzcL:
20.09
1ekjF-4rzcL:
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.
4utg SUGAR KINASE

(Burkholderia
pseudomallei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 PHE A 177
VAL A  34
GLY A  20
GLY A  19
 None
None
None
CL  A 401 (-3.5A)
 0.88A 1ekjE-4utgA:
undetectable
1ekjF-4utgA:
undetectable		 1ekjE-4utgA:
20.81
1ekjF-4utgA:
20.81
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.
4ye4 HEAVY CHAIN HUMAN
ANTIBODY HJ16

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 GLN H   6
VAL H 123
GLY H   8
GLY H   9
 None
 0.90A 1ekjE-4ye4H:
undetectable
1ekjF-4ye4H:
undetectable		 1ekjE-4ye4H:
21.22
1ekjF-4ye4H:
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 GLN A 585
CYH A 149
GLY A 795
GLY A 796
 None
FES  A3001 (-2.6A)
None
None
 0.85A 1ekjE-4yswA:
undetectable
1ekjF-4yswA:
undetectable		 1ekjE-4yswA:
11.25
1ekjF-4yswA:
11.25
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.
4zfo J22.9-XI FAB, HEAVY
CHAIN

(Mus musculus) 		no annotation 4 GLN H   6
VAL H 116
GLY H   8
GLY H   9
 None
 0.79A 1ekjE-4zfoH:
undetectable
1ekjF-4zfoH:
undetectable		 1ekjE-4zfoH:
20.00
1ekjF-4zfoH:
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.
5a1i S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		4 PHE A 282
ASP A 291
GLY A 279
GLY A 278
 None
None
None
K  A 404 (-3.9A)
 0.90A 1ekjE-5a1iA:
undetectable
1ekjF-5a1iA:
undetectable		 1ekjE-5a1iA:
21.30
1ekjF-5a1iA:
21.30
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT BETA

(Schizosaccharomyces
pombe) 		PF01008
(IF-2B) 		4 TYR C  90
ASP C  52
GLY C 165
GLY C 166
 None
 0.91A 1ekjE-5b04C:
undetectable
1ekjF-5b04C:
undetectable		 1ekjE-5b04C:
20.71
1ekjF-5b04C:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bq1 CARBONIC ANHYDRASE

(Pseudomonas
aeruginosa) 		PF00484
(Pro_CA) 		5 CYH A  42
ASP A  44
VAL A  66
GLY A 102
GLY A 103
 ZN  A 301 ( 2.2A)
CO2  A 302 ( 4.6A)
CO2  A 302 (-4.0A)
CO2  A 302 ( 4.5A)
CO2  A 302 (-3.7A)
 0.23A 1ekjE-5bq1A:
22.0
1ekjF-5bq1A:
21.9		 1ekjE-5bq1A:
28.63
1ekjF-5bq1A:
28.63
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.
5cxk CARBONIC ANHYDRASE

(Vibrio cholerae) 		PF00484
(Pro_CA) 		4 CYH A  42
VAL A  66
GLY A 102
GLY A 103
 ZN  A 301 (-2.1A)
None
None
None
 0.24A 1ekjE-5cxkA:
20.4
1ekjF-5cxkA:
20.0		 1ekjE-5cxkA:
25.83
1ekjF-5cxkA:
25.83
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.
5drz HIV ANTIBODY F240
HEAVY CHAIN

(Homo sapiens) 		no annotation 4 GLN H   6
VAL H 109
GLY H   8
GLY H   9
 None
 0.72A 1ekjE-5drzH:
undetectable
1ekjF-5drzH:
undetectable		 1ekjE-5drzH:
22.04
1ekjF-5drzH:
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.
5dze ENDO-GLUCANASE

(Vitis vinifera) 		PF00722
(Glyco_hydro_16) 		4 ASP A 172
VAL A 170
GLY A  43
GLY A  44
 None
 0.72A 1ekjE-5dzeA:
undetectable
1ekjF-5dzeA:
undetectable		 1ekjE-5dzeA:
18.45
1ekjF-5dzeA:
18.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eqi SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 1

(Homo sapiens) 		PF00083
(Sugar_tr) 		4 CYH A 207
VAL A 203
GLY A  17
GLY A  18
 None
 0.73A 1ekjE-5eqiA:
undetectable
1ekjF-5eqiA:
undetectable		 1ekjE-5eqiA:
16.57
1ekjF-5eqiA:
16.57
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF02775
(TPP_enzyme_C) 		4 CYH C 135
ASP C 137
GLY C 111
GLY C 112
 None
None
5SR  C 402 (-3.4A)
5SR  C 402 (-4.0A)
 0.88A 1ekjE-5exeC:
undetectable
1ekjF-5exeC:
undetectable		 1ekjE-5exeC:
22.36
1ekjF-5exeC:
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 4 ASP A  70
VAL A 101
GLY A  72
GLY A  73
 None
 0.88A 1ekjE-5fkrA:
undetectable
1ekjF-5fkrA:
undetectable		 1ekjE-5fkrA:
14.93
1ekjF-5fkrA:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fyk VRC01

(Homo sapiens) 		PF07686
(V-set) 		4 GLN U   6
VAL U 109
GLY U   8
GLY U   9
 None
 0.91A 1ekjE-5fykU:
undetectable
1ekjF-5fykU:
undetectable		 1ekjE-5fykU:
20.39
1ekjF-5fykU:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		4 PHE A1567
TYR A1565
GLY A1152
GLY A1153
 None
None
SAH  A1701 (-3.8A)
SAH  A1701 (-3.3A)
 0.53A 1ekjE-5gutA:
undetectable
1ekjF-5gutA:
undetectable		 1ekjE-5gutA:
13.50
1ekjF-5gutA:
13.50
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.
5i39 L-AMINO ACID
DEAMINASE

(Proteus
vulgaris) 		PF01266
(DAO) 		4 PHE A 395
VAL A 294
GLY A 291
GLY A 292
 None
 0.90A 1ekjE-5i39A:
undetectable
1ekjF-5i39A:
undetectable		 1ekjE-5i39A:
21.15
1ekjF-5i39A:
21.15