SIMILAR PATTERNS OF AMINO ACIDS FOR 1I7Q_A_BEZA1501

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.
1d6s O-ACETYLSERINE
SULFHYDRYLASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ILE A  44
GLY A 179
THR A 180
HIS A 152
GLY A 176
 None
PLP  A 501 (-3.9A)
PLP  A 501 (-3.6A)
None
PLP  A 501 (-3.5A)
 1.09A 1i7qA-1d6sA:
undetectable		 1i7qA-1d6sA:
21.71
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.
1dq3 ENDONUCLEASE

(Pyrococcus
furiosus) 		PF09061
(Stirrup)
PF09062
(Endonuc_subdom)
PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		5 ILE A  93
GLY A 448
THR A  91
GLY A 127
GLU A 417
 None
 1.42A 1i7qA-1dq3A:
3.8		 1i7qA-1dq3A:
20.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I

(Salmonella
enterica) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 ILE A 326
GLY A 328
THR A 329
GLU A 358
HIS A 398
 None
 1.08A 1i7qA-1i1qA:
54.7		 1i7qA-1i1qA:
71.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		11 GLU A 309
ILE A 326
GLY A 328
THR A 329
GLU A 361
HIS A 398
LEU A 426
ARG A 469
GLY A 485
GLU A 498
LYS A 502
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.3A)
BEZ  A1501 (-3.9A)
MG  A1701 ( 3.1A)
BEZ  A1501 ( 4.2A)
PYR  A1601 ( 4.7A)
PYR  A1601 ( 3.9A)
BEZ  A1501 (-3.8A)
MG  A1701 ( 2.6A)
BEZ  A1501 ( 2.9A)
 0.00A 1i7qA-1i7qA:
69.0		 1i7qA-1i7qA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i7q ANTHRANILATE
SYNTHASE

(Serratia
marcescens) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		6 GLU A 309
ILE A 326
THR A 329
HIS A 398
GLY A 483
GLU A 498
 BEZ  A1501 (-3.8A)
BEZ  A1501 (-3.9A)
BEZ  A1501 (-3.9A)
BEZ  A1501 ( 4.2A)
PYR  A1601 (-3.8A)
MG  A1701 ( 2.6A)
 1.42A 1i7qA-1i7qA:
69.0		 1i7qA-1i7qA:
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.
1jn0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
A

(Spinacia
oleracea) 		no annotation 5 ILE O  93
GLY O  95
THR O 119
LEU O  16
GLY O   9
 None
NDP  O6335 (-4.6A)
NDP  O6335 (-4.5A)
None
NDP  O6335 (-3.5A)
 1.38A 1i7qA-1jn0O:
undetectable		 1i7qA-1jn0O:
20.50
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.
1jx7 HYPOTHETICAL PROTEIN
YCHN

(Escherichia
coli) 		PF02635
(DrsE) 		5 ILE A  93
GLY A  95
THR A  69
GLU A  97
LEU A  41
 None
 1.37A 1i7qA-1jx7A:
undetectable		 1i7qA-1jx7A:
13.68
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.
1pqz MCMV M144

(Murid
betaherpesvirus
1) 		PF07654
(C1-set) 		5 GLU A  36
GLY A  31
THR A  30
HIS A  32
GLY A  48
 None
 1.32A 1i7qA-1pqzA:
3.3		 1i7qA-1pqzA:
19.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPE-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		6 GLU A 225
ILE A 240
GLY A 242
THR A 243
GLU A 269
HIS A 306
 None
 0.99A 1i7qA-1qdlA:
39.9		 1i7qA-1qdlA:
33.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sy7 CATALASE 1

(Neurospora
crassa) 		PF00199
(Catalase)
PF01965
(DJ-1_PfpI)
PF06628
(Catalase-rel) 		5 GLY A 656
THR A 655
GLU A 657
LEU A 632
GLY A 625
 None
 1.00A 1i7qA-1sy7A:
undetectable		 1i7qA-1sy7A:
23.37
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.
1yt5 INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Thermotoga
maritima) 		PF01513
(NAD_kinase) 		5 GLU A  14
GLY A  50
THR A  53
LEU A  18
GLY A  69
 None
SO4  A 317 (-3.8A)
None
None
None
 1.34A 1i7qA-1yt5A:
undetectable		 1i7qA-1yt5A:
19.73
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.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		5 ILE A 158
GLY A 160
THR A 161
GLU A  48
GLY A  47
 None
 1.24A 1i7qA-2cfmA:
undetectable		 1i7qA-2cfmA:
22.44
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.
2drh 361AA LONG
HYPOTHETICAL
D-AMINOPEPTIDASE

(Pyrococcus
horikoshii) 		PF03576
(Peptidase_S58) 		5 GLU A 166
GLY A 171
THR A  53
HIS A  31
GLY A 184
 None
 1.35A 1i7qA-2drhA:
undetectable		 1i7qA-2drhA:
21.83
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.
2flz CIS-3-CHLOROACRYLIC
ACID DEHALOGENASE

(coryneform
bacterium) 		PF14832
(Tautomerase_3) 		5 GLY A  33
THR A  32
HIS A  28
LEU A 119
GLY A 123
 None
SO4  A1001 ( 4.5A)
SO4  A1001 (-3.9A)
None
None
 1.05A 1i7qA-2flzA:
undetectable		 1i7qA-2flzA:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g8l 287AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF01937
(DUF89) 		5 ILE A 188
GLY A 186
THR A 193
GLU A 185
GLY A 212
 None
 1.43A 1i7qA-2g8lA:
undetectable		 1i7qA-2g8lA:
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.
2gez L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT

(Lupinus luteus;
Lupinus luteus) 		PF01112
(Asparaginase_2)
PF01112
(Asparaginase_2) 		5 ILE B 289
GLY B 287
THR B 243
HIS A   9
GLY B 305
 None
 1.22A 1i7qA-2gezB:
undetectable		 1i7qA-2gezB:
12.72
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.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 GLY A 182
THR A 270
LEU A 211
GLY A 233
GLU A 236
 None
 1.00A 1i7qA-2h8xA:
undetectable		 1i7qA-2h8xA:
22.69
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.
2hbb 50S RIBOSOMAL
PROTEIN L9

(Geobacillus
stearothermophilus) 		PF01281
(Ribosomal_L9_N) 		5 ILE A   4
GLY A  16
GLU A  17
LEU A  30
GLY A  13
 None
 1.41A 1i7qA-2hbbA:
undetectable		 1i7qA-2hbbA:
6.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hr2 HYPOTHETICAL PROTEIN

(Chlorobaculum
tepidum) 		PF12968
(DUF3856) 		5 ILE A 101
GLY A  97
GLU A  96
LEU A  83
GLY A  90
 None
 1.46A 1i7qA-2hr2A:
undetectable		 1i7qA-2hr2A:
14.86
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.
2iou MAJOR TROPISM
DETERMINANT P1

(Bordetella
virus BPP1) 		no annotation 5 GLY A 204
THR A 205
HIS A 248
GLY A 181
LYS A 250
 None
 1.35A 1i7qA-2iouA:
undetectable		 1i7qA-2iouA:
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ILE A 772
GLY A 577
GLU A 580
LEU A 736
GLY A 586
 None
 1.24A 1i7qA-2iukA:
undetectable		 1i7qA-2iukA:
22.57
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.
2jbw 2,6-DIHYDROXY-PSEUDO
-OXYNICOTINE
HYDROLASE

(Paenarthrobacter
nicotinovorans) 		PF06500
(DUF1100) 		5 HIS A 332
LEU A 214
ARG A 339
GLY A 145
GLU A 153
 None
 1.16A 1i7qA-2jbwA:
undetectable		 1i7qA-2jbwA:
23.18
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.
2jif SHORT/BRANCHED CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 409
THR A 411
LEU A 304
GLY A 379
GLU A 376
 None
 1.44A 1i7qA-2jifA:
undetectable		 1i7qA-2jifA:
21.94
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.
2mcp IGA-KAPPA MCPC603
FAB (HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ILE H  95
GLY H 157
THR H 158
LEU H  20
GLY H  10
 None
 1.17A 1i7qA-2mcpH:
2.6		 1i7qA-2mcpH:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		5 GLU A 303
GLY A 198
GLU A 288
LEU A  75
GLU A  69
 None
None
SO4  A1776 ( 4.7A)
None
SO4  A1776 ( 4.6A)
 1.16A 1i7qA-2nsmA:
undetectable		 1i7qA-2nsmA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qgn TRNA
DELTA(2)-ISOPENTENYL
PYROPHOSPHATE
TRANSFERASE

(Bacillus
halodurans) 		PF01715
(IPPT) 		5 ILE A 221
GLU A 223
LEU A 263
GLY A  46
GLU A 218
 None
 1.32A 1i7qA-2qgnA:
undetectable		 1i7qA-2qgnA:
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.
2yy8 UPF0106 PROTEIN
PH0461

(Pyrococcus
horikoshii) 		PF01994
(Trm56) 		5 ILE A  33
THR A  18
GLU A 134
LEU A   5
GLY A 109
 None
None
MTA  A 400 (-4.0A)
None
MTA  A 400 (-3.3A)
 1.30A 1i7qA-2yy8A:
undetectable		 1i7qA-2yy8A:
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.
2zqq METHYLGLUTACONYL-COA
HYDRATASE

(Homo sapiens) 		PF00378
(ECH_1) 		5 GLY A 217
GLU A 189
LEU A 212
ARG A 146
GLY A 185
 None
 1.49A 1i7qA-2zqqA:
undetectable		 1i7qA-2zqqA:
18.40
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.
2zqq METHYLGLUTACONYL-COA
HYDRATASE

(Homo sapiens) 		PF00378
(ECH_1) 		5 ILE A 214
GLY A 217
GLU A 189
ARG A 146
GLY A 185
 None
 1.45A 1i7qA-2zqqA:
undetectable		 1i7qA-2zqqA:
18.40
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.
2zqq METHYLGLUTACONYL-COA
HYDRATASE

(Homo sapiens) 		PF00378
(ECH_1) 		5 ILE A 214
GLY A 217
GLU A 189
ARG A 146
GLY A 186
 None
 1.12A 1i7qA-2zqqA:
undetectable		 1i7qA-2zqqA:
18.40
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.
3bzm MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		8 GLU A 240
GLY A 257
THR A 258
HIS A 318
ARG A 387
GLY A 403
GLU A 416
LYS A 420
 None
 0.71A 1i7qA-3bzmA:
38.1		 1i7qA-3bzmA:
28.04
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.
3d46 PUTATIVE GALACTONATE
DEHYDRATASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 137
GLY A 307
THR A 311
HIS A 116
GLY A 283
 None
 1.40A 1i7qA-3d46A:
undetectable		 1i7qA-3d46A:
20.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gse MENAQUINONE-SPECIFIC
ISOCHORISMATE
SYNTHASE

(Yersinia pestis) 		PF00425
(Chorismate_bind) 		5 GLU A 258
GLY A 275
THR A 276
GLU A 302
HIS A 336
 None
 0.56A 1i7qA-3gseA:
32.9		 1i7qA-3gseA:
28.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 GLY A 144
GLU A 116
LEU A 139
ARG A  73
GLY A 112
 None
 1.39A 1i7qA-3kqfA:
undetectable		 1i7qA-3kqfA:
20.31
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.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 ILE A 141
GLY A 144
GLU A 116
ARG A  73
GLY A 113
 None
 1.11A 1i7qA-3kqfA:
undetectable		 1i7qA-3kqfA:
20.31
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.
3moy PROBABLE ENOYL-COA
HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 GLU A  35
GLY A 110
GLU A 113
LEU A  85
GLY A 141
 None
EDO  A 262 ( 3.9A)
EDO  A 262 (-2.7A)
None
EDO  A 262 (-3.6A)
 1.44A 1i7qA-3moyA:
undetectable		 1i7qA-3moyA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 GLY A  26
THR A 254
LEU A 202
GLY A 294
GLU A 290
 LEU  A 601 (-3.1A)
NA  A 752 ( 3.3A)
None
None
NA  A 752 ( 4.8A)
 1.48A 1i7qA-3mpnA:
undetectable		 1i7qA-3mpnA:
20.87
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.
3mw2 NEUREXIN-1-ALPHA

(Mus musculus) 		PF02210
(Laminin_G_2) 		5 ILE A 168
GLY A 171
HIS A 174
LEU A 126
GLY A 256
 None
 1.39A 1i7qA-3mw2A:
undetectable		 1i7qA-3mw2A:
18.94
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.
3no0 DNA GYRASE SUBUNIT A

(Aquifex
aeolicus) 		PF03989
(DNA_gyraseA_C) 		5 GLY A 704
THR A 705
GLU A 701
LEU A 712
GLY A 630
 None
 1.06A 1i7qA-3no0A:
undetectable		 1i7qA-3no0A:
19.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o59 DNA POLYMERASE II
LARGE SUBUNIT

(Pyrococcus
horikoshii) 		PF03833
(PolC_DP2) 		5 ILE X 236
GLY X 238
GLU X 240
HIS X 183
GLU X 220
 None
 1.15A 1i7qA-3o59X:
undetectable		 1i7qA-3o59X:
22.78
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.
3os6 ISOCHORISMATE
SYNTHASE DHBC

(Bacillus
anthracis) 		PF00425
(Chorismate_bind) 		7 GLU A 197
GLY A 214
HIS A 276
ARG A 348
GLY A 364
GLU A 377
LYS A 381
 None
SO4  A 404 (-3.8A)
None
None
SO4  A 404 (-3.8A)
SO4  A 404 (-4.1A)
SO4  A 404 (-2.9A)
 0.55A 1i7qA-3os6A:
36.1		 1i7qA-3os6A:
25.05
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.
3pc3 CG1753, ISOFORM A

(Drosophila
melanogaster) 		PF00291
(PALP)
PF00571
(CBS) 		5 ILE A  91
GLY A 228
THR A 229
HIS A 201
GLY A 225
 None
P1T  A 702 (-3.9A)
P1T  A 702 (-3.6A)
None
P1T  A 702 (-3.6A)
 1.07A 1i7qA-3pc3A:
undetectable		 1i7qA-3pc3A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r75 ANTHRANILATE/PARA-AM
INOBENZOATE
SYNTHASES COMPONENT
I

(Burkholderia
lata) 		PF00117
(GATase)
PF00425
(Chorismate_bind) 		9 GLU A 201
ILE A 216
GLY A 218
THR A 219
GLU A 244
HIS A 279
ARG A 352
GLU A 382
LYS A 386
 BEZ  A 701 ( 4.3A)
BEZ  A 701 (-4.2A)
BEZ  A 701 (-3.5A)
BEZ  A 701 (-4.0A)
MG  A 700 ( 2.5A)
BEZ  A 701 (-3.8A)
PYR  A 702 ( 3.9A)
MG  A 700 ( 2.5A)
PYR  A 702 ( 3.1A)
 0.41A 1i7qA-3r75A:
37.7		 1i7qA-3r75A:
24.22
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.
3u7b ENDO-1,4-BETA-XYLANA
SE

(Fusarium
oxysporum) 		PF00331
(Glyco_hydro_10) 		5 THR A  22
GLU A  29
HIS A  68
GLY A 286
GLU A  45
 None
 1.44A 1i7qA-3u7bA:
undetectable		 1i7qA-3u7bA:
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.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		5 GLU A 489
GLY A 642
THR A 645
LEU A 476
GLY A 905
 ADP  A1002 ( 4.6A)
ADP  A1002 (-3.3A)
ADP  A1002 (-3.6A)
None
ADP  A1002 (-3.1A)
 1.27A 1i7qA-3ux8A:
undetectable		 1i7qA-3ux8A:
24.06
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ILE A 101
GLY A 156
LEU A  61
GLY A  59
GLU A 679
 None
 1.38A 1i7qA-3v8xA:
undetectable		 1i7qA-3v8xA:
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.
3vyl L-RIBULOSE
3-EPIMERASE

(Mesorhizobium
loti) 		PF01261
(AP_endonuc_2) 		5 ILE A  65
GLY A 105
GLU A 147
LEU A 252
GLU A  36
 None
None
MN  A1001 (-2.5A)
None
None
 1.41A 1i7qA-3vylA:
undetectable		 1i7qA-3vylA:
20.80
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.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		5 ILE A 217
GLY A  51
GLU A 253
LEU A 212
GLY A  54
 None
 1.30A 1i7qA-3we7A:
undetectable		 1i7qA-3we7A:
20.12
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.
3wvr PGM1

(Streptomyces
cirratus) 		no annotation 5 GLU A 234
GLY A 191
LEU A  13
GLU A 331
LYS A 142
 None
 1.50A 1i7qA-3wvrA:
undetectable		 1i7qA-3wvrA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A 266
GLY A 258
THR A 257
LEU A  88
GLU A 234
 None
 1.40A 1i7qA-4e4uA:
undetectable		 1i7qA-4e4uA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7n ALDEHYDE
DEHYDROGENASE

(Trichormus
variabilis) 		PF00171
(Aldedh) 		5 GLY A 207
THR A 206
LEU A 264
ARG A 441
GLY A 231
 None
 1.25A 1i7qA-4h7nA:
undetectable		 1i7qA-4h7nA:
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.
4i2o FIXK2 PROTEIN

(Bradyrhizobium
japonicum) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 THR A 138
GLU A  95
LEU A 120
GLY A  93
GLU A 141
 None
 1.47A 1i7qA-4i2oA:
undetectable		 1i7qA-4i2oA:
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.
4iyo CYSTATHIONINE
GAMMA-LYASE-LIKE
PROTEIN, LYS201A
MODIFIED

(Xanthomonas
oryzae) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE B 379
GLY B 342
GLU B 344
HIS B 268
LEU B 385
 None
 1.42A 1i7qA-4iyoB:
undetectable		 1i7qA-4iyoB:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jxj RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A

(Rickettsia
bellii) 		PF00398
(RrnaAD) 		5 GLY A  52
THR A  53
GLU A  72
LEU A  91
ARG A  58
 None
None
None
None
IOD  A 302 ( 4.9A)
 1.42A 1i7qA-4jxjA:
undetectable		 1i7qA-4jxjA:
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.
4m9d ADENYLOSUCCINATE
SYNTHETASE

(Bacillus
anthracis) 		PF00709
(Adenylsucc_synt) 		5 GLU A  14
GLY A  17
THR A  20
GLY A  40
GLU A 220
 MLI  A 502 (-4.7A)
MLI  A 502 (-3.2A)
None
MLI  A 502 (-4.8A)
None
 1.09A 1i7qA-4m9dA:
undetectable		 1i7qA-4m9dA:
22.52
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.
4ofx CYSTATHIONINE
BETA-SYNTHASE

(Coxiella
burnetii) 		PF00291
(PALP) 		5 ILE A  46
GLY A 183
THR A 184
HIS A 156
GLY A 180
 None
 1.11A 1i7qA-4ofxA:
undetectable		 1i7qA-4ofxA:
21.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		6 GLU A 307
ILE A 322
GLY A 324
THR A 325
HIS A 388
LEU A 416
 0GA  A 604 ( 4.5A)
0GA  A 604 ( 4.2A)
None
0GA  A 604 ( 4.6A)
0GA  A 604 ( 4.3A)
0GA  A 604 ( 4.7A)
 0.67A 1i7qA-5cwaA:
41.2		 1i7qA-5cwaA:
38.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 GLU A 307
ILE A 322
THR A 325
HIS A 388
GLY A 474
 0GA  A 604 ( 4.5A)
0GA  A 604 ( 4.2A)
0GA  A 604 ( 4.6A)
0GA  A 604 ( 4.3A)
0GA  A 604 ( 4.4A)
 1.00A 1i7qA-5cwaA:
41.2		 1i7qA-5cwaA:
38.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		6 GLU A 307
ILE A 322
THR A 325
HIS A 388
LEU A 416
GLY A 475
 0GA  A 604 ( 4.5A)
0GA  A 604 ( 4.2A)
0GA  A 604 ( 4.6A)
0GA  A 604 ( 4.3A)
0GA  A 604 ( 4.7A)
None
 0.79A 1i7qA-5cwaA:
41.2		 1i7qA-5cwaA:
38.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 GLU A 307
LEU A 416
GLY A 475
GLU A 488
LYS A 492
 0GA  A 604 ( 4.5A)
0GA  A 604 ( 4.7A)
None
0GA  A 604 ( 4.9A)
0GA  A 604 (-3.0A)
 0.80A 1i7qA-5cwaA:
41.2		 1i7qA-5cwaA:
38.38
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.
5fkw DNA POLYMERASE III
EPSILON

(Escherichia
coli) 		PF00929
(RNase_T) 		5 GLU D 110
ILE D  30
THR D  16
LEU D 113
GLY D  27
 None
 1.42A 1i7qA-5fkwD:
undetectable		 1i7qA-5fkwD:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hst POLYKETIDE SYNTHASE
TYPE I

(Bacillus
amyloliquefaciens) 		PF14765
(PS-DH) 		5 GLU A 157
ILE A 153
GLY A 218
THR A 217
GLY A 222
 None
 1.17A 1i7qA-5hstA:
undetectable		 1i7qA-5hstA:
18.52
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.
5hz1 PROBABLE LRR
RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE
AT4G26540

(Arabidopsis
thaliana) 		PF13855
(LRR_8) 		5 ILE B 589
GLY B 587
GLU B 564
LEU B 580
GLY B 563
 None
 1.49A 1i7qA-5hz1B:
undetectable		 1i7qA-5hz1B:
22.75
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.
5jy9 PUTATIVE SALICYLATE
SYNTHETASE

(Yersinia
enterocolitica) 		PF00425
(Chorismate_bind) 		9 GLU A 240
GLY A 257
THR A 258
GLU A 284
HIS A 321
ARG A 391
GLY A 407
GLU A 420
LYS A 424
 None
ACT  A 503 (-3.2A)
ACT  A 503 (-3.7A)
FE2  A 501 ( 2.7A)
ACT  A 503 ( 4.1A)
ACT  A 502 (-3.5A)
ACT  A 503 (-3.8A)
FE2  A 501 ( 2.8A)
ACT  A 503 ( 2.3A)
 0.28A 1i7qA-5jy9A:
42.6		 1i7qA-5jy9A:
28.20
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.
5jy9 PUTATIVE SALICYLATE
SYNTHETASE

(Yersinia
enterocolitica) 		PF00425
(Chorismate_bind) 		5 GLY A 257
THR A 258
HIS A 321
LEU A 388
ARG A 391
 ACT  A 503 (-3.2A)
ACT  A 503 (-3.7A)
ACT  A 503 ( 4.1A)
None
ACT  A 502 (-3.5A)
 1.16A 1i7qA-5jy9A:
42.6		 1i7qA-5jy9A:
28.20
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.
5jzd ISOCHORISMATE
SYNTHASE ENTC

(Escherichia
coli) 		PF00425
(Chorismate_bind) 		9 GLU A 197
GLY A 214
GLU A 241
HIS A 276
LEU A 304
ARG A 347
GLY A 363
GLU A 376
LYS A 380
 ISC  A 401 (-3.0A)
ISC  A 401 (-3.2A)
MG  A 402 ( 2.4A)
ISC  A 401 (-3.5A)
ISC  A 401 ( 4.4A)
ISC  A 401 (-3.5A)
ISC  A 401 (-3.3A)
MG  A 402 ( 2.6A)
ISC  A 401 (-3.0A)
 0.48A 1i7qA-5jzdA:
36.1		 1i7qA-5jzdA:
25.61
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.
5mms CYSTATHIONINE
BETA-SYNTHASE

(Homo sapiens) 		PF00291
(PALP) 		5 ILE A 122
GLY A 259
THR A 260
HIS A 232
GLY A 256
 None
PLP  A1002 ( 4.0A)
PLP  A1002 (-3.5A)
None
PLP  A1002 (-3.6A)
 1.06A 1i7qA-5mmsA:
undetectable		 1i7qA-5mmsA:
23.12
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.
5nv3 RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Rhodobacter
sphaeroides) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 GLU A 193
ILE A 414
GLY A 417
THR A 407
GLY A 198
 None
 1.28A 1i7qA-5nv3A:
undetectable		 1i7qA-5nv3A:
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.
5ohx CYSTATHIONINE
BETA-SYNTHASE

(Apis mellifera) 		no annotation 5 ILE A  81
GLY A 218
THR A 219
HIS A 191
GLY A 215
 None
PLP  A 702 (-3.6A)
PLP  A 702 (-4.1A)
None
PLP  A 702 (-3.4A)
 1.04A 1i7qA-5ohxA:
undetectable		 1i7qA-5ohxA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uc0 UNCHARACTERIZED
PROTEIN COG5400

(Brucella
abortus) 		PF06577
(DUF1134) 		5 ILE A 184
GLY A 113
THR A  93
LEU A 169
ARG A 173
 None
 1.31A 1i7qA-5uc0A:
undetectable		 1i7qA-5uc0A:
13.82
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 5 GLU A 711
ILE A 966
GLY A 968
GLU A  91
LYS A 622
 None
 1.12A 1i7qA-5wblA:
undetectable		 1i7qA-5wblA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5h CYSTATHIONINE
BETA-LYASES/CYSTATHI
ONINE
GAMMA-SYNTHASES

(Corynebacterium
glutamicum) 		PF01053
(Cys_Met_Meta_PP) 		5 ILE A 369
GLY A 335
GLU A 337
HIS A 261
LEU A 375
 None
 1.39A 1i7qA-5x5hA:
2.4		 1i7qA-5x5hA:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xya -

(-) 		no annotation 5 ILE A 126
GLY A 303
HIS A 127
LEU A 680
GLY A 625
 None
 1.43A 1i7qA-5xyaA:
undetectable		 1i7qA-5xyaA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c2h CYSTATHIONINE
BETA-SYNTHASE

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A  56
GLY A 199
THR A 200
HIS A 167
GLY A 196
 None
PLP  A 401 (-3.9A)
PLP  A 401 (-3.5A)
None
PLP  A 401 (-3.6A)
 1.09A 1i7qA-6c2hA:
undetectable		 1i7qA-6c2hA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6en4 SPLICING FACTOR 3B
SUBUNIT 3

(Homo sapiens) 		no annotation 5 GLY A  24
THR A  25
LEU A  40
ARG A  42
GLY A  20
 None
 1.23A 1i7qA-6en4A:
undetectable		 1i7qA-6en4A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6erc PEROXINECTIN A

(Dictyostelium
discoideum) 		no annotation 5 GLU A 236
GLY A 324
HIS A 325
LEU A 240
GLY A  96
 HEM  A 604 (-2.2A)
HEM  A 604 (-3.4A)
HEM  A 604 (-3.5A)
None
HEM  A 604 ( 3.6A)
 1.37A 1i7qA-6ercA:
undetectable		 1i7qA-6ercA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fg9 -

(-) 		no annotation 5 ILE A 527
GLY A 529
THR A 519
LEU A 480
GLY A 531
 None
 1.15A 1i7qA-6fg9A:
undetectable		 1i7qA-6fg9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6ftl RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN

(Skeletonema
marinoi) 		no annotation 5 GLU A 195
ILE A 416
GLY A 419
THR A 409
GLY A 200
 None
None
None
None
LYO  A 198 ( 4.4A)
 1.33A 1i7qA-6ftlA:
undetectable		 1i7qA-6ftlA:
undetectable