SIMILAR PATTERNS OF AMINO ACIDS FOR 4PEV_C_ADNC501_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.
1e4y ADENYLATE KINASE

(Escherichia
coli) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 VAL A  64
SER A  30
GLY A  32
ASP A  84
LYS A  13
 AP5  A 215 (-4.5A)
None
AP5  A 215 (-3.1A)
AP5  A 215 ( 4.7A)
AP5  A 215 (-2.9A)
 1.42A 4pevC-1e4yA:
3.0		 4pevC-1e4yA:
20.24
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE I GAMMA
SUBUNIT

(Methanopyrus
kandleri) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02783
(MCR_beta_N) 		5 SER A 462
ASN A 459
LEU B 237
PHE B 350
GLY C 249
 None
 1.33A 4pevC-1e6vA:
0.1		 4pevC-1e6vA:
22.38
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.
1g0v PROTEASE A INHIBITOR
3
PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp)
PF10466
(Inhibitor_I34) 		5 ASP A 131
VAL A 133
SER A  35
LEU A  80
ASP B  22
 None
NAG  A 332 (-3.2A)
None
None
None
 1.32A 4pevC-1g0vA:
0.0		 4pevC-1g0vA:
22.09
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.
1m7s CATALASE

(Pseudomonas
syringae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ASP A 215
ASN A 217
PHE A 138
PHE A 134
GLY A 149
 None
None
None
None
HEM  A 600 (-4.0A)
 1.25A 4pevC-1m7sA:
undetectable		 4pevC-1m7sA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnw HYPOTHETICAL PROTEIN

(Pyrococcus
furiosus) 		no annotation 5 SER A 194
PHE A 197
LEU A 246
PHE A  47
GLY A 196
 None
 1.20A 4pevC-1nnwA:
undetectable		 4pevC-1nnwA:
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.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 ASP A 366
VAL A 478
SER A 264
ASP A 437
LEU A 556
 None
 1.31A 4pevC-1qonA:
3.6		 4pevC-1qonA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qu0 LAMININ ALPHA2 CHAIN

(Mus musculus) 		PF02210
(Laminin_G_2) 		5 VAL A3110
PHE A3080
LEU A3087
PHE A2962
GLY A3063
 None
 1.44A 4pevC-1qu0A:
undetectable		 4pevC-1qu0A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v0m ENDO-1,4-BETA-XYLANA
SE A

(Streptomyces
lividans) 		PF00331
(Glyco_hydro_10) 		5 ASN A  39
LEU A 282
PHE A 283
PHE A  16
GLY A  17
 None
 1.31A 4pevC-1v0mA:
undetectable		 4pevC-1v0mA:
22.83
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.
1v6u ENDO-1,4-BETA-D-XYLA
NASE

(Streptomyces
olivaceoviridis) 		PF00331
(Glyco_hydro_10)
PF00652
(Ricin_B_lectin) 		5 ASN A  39
LEU A 282
PHE A 283
PHE A  16
GLY A  17
 None
 1.31A 4pevC-1v6uA:
undetectable		 4pevC-1v6uA:
24.58
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.
1vkm CONSERVED
HYPOTHETICAL PROTEIN
TM1464

(Thermotoga
maritima) 		PF04227
(Indigoidine_A) 		5 VAL A 217
ASN A 271
LEU A 249
PHE A 177
GLY A 116
 None
None
None
None
UNL  A 600 (-4.9A)
 1.10A 4pevC-1vkmA:
undetectable		 4pevC-1vkmA:
22.91
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.
1zip ADENYLATE KINASE

(Geobacillus
stearothermophilus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 VAL A  59
SER A  30
GLY A  32
ASP A  84
LYS A  13
 AP5  A 218 (-4.0A)
AP5  A 218 ( 4.6A)
AP5  A 218 (-3.6A)
MN  A 220 ( 4.3A)
AP5  A 218 (-3.0A)
 1.43A 4pevC-1zipA:
undetectable		 4pevC-1zipA:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cir HEXOSE-6-PHOSPHATE
MUTAROTASE

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim) 		5 VAL A  22
SER A 134
LEU A 285
GLY A 133
ASP A 135
 None
None
CSO  A 287 ( 4.5A)
None
None
 1.29A 4pevC-2cirA:
undetectable		 4pevC-2cirA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4a MALATE DEHYDROGENASE

(Aeropyrum
pernix) 		no annotation 5 ASP B 289
LEU B 250
PHE B 288
GLY B 170
ASP B 120
 None
 1.38A 4pevC-2d4aB:
5.3		 4pevC-2d4aB:
23.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ego GENERAL RECEPTOR FOR
PHOSPHOINOSITIDES
1-ASSOCIATED
SCAFFOLD PROTEIN

(Rattus
norvegicus) 		PF00595
(PDZ) 		5 VAL A 134
SER A 141
LEU A 181
PHE A 113
GLY A 112
 None
 1.48A 4pevC-2egoA:
undetectable		 4pevC-2egoA:
14.08
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.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		7 ASP A  27
SER A  35
ASN A  37
ASP A 108
PHE A 161
PHE A 186
GLY A 212
 GMP  A 400 (-2.9A)
GMP  A 400 ( 4.6A)
GMP  A 400 (-3.3A)
GMP  A 400 (-3.3A)
GMP  A 400 ( 4.8A)
GMP  A 400 (-3.4A)
GMP  A 400 (-3.3A)
 0.88A 4pevC-2fqxA:
39.5		 4pevC-2fqxA:
28.05
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.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		5 ASP A 263
VAL A 264
ASP A 238
PHE A 161
ASP A 108
 None
None
GMP  A 400 (-2.9A)
GMP  A 400 ( 4.8A)
GMP  A 400 (-3.3A)
 1.07A 4pevC-2fqxA:
39.5		 4pevC-2fqxA:
28.05
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.
2fqx MEMBRANE LIPOPROTEIN
TMPC

(Treponema
pallidum) 		PF02608
(Bmp) 		9 SER A  35
PHE A  36
ASN A  37
ASP A 108
PHE A 161
PHE A 186
GLY A 212
ASP A 238
LYS A 260
 GMP  A 400 ( 4.6A)
GMP  A 400 (-3.8A)
GMP  A 400 (-3.3A)
GMP  A 400 (-3.3A)
GMP  A 400 ( 4.8A)
GMP  A 400 (-3.4A)
GMP  A 400 (-3.3A)
GMP  A 400 (-2.9A)
GMP  A 400 (-2.8A)
 0.59A 4pevC-2fqxA:
39.5		 4pevC-2fqxA:
28.05
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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 170
VAL A 169
PHE A 137
ASP A 180
GLY A 138
 None
 1.34A 4pevC-2gl5A:
undetectable		 4pevC-2gl5A:
20.27
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.
2j7c BETA-GLUCOSIDASE A

(Thermotoga
maritima) 		PF00232
(Glyco_hydro_1) 		5 VAL A  14
SER A 431
ASP A 402
GLY A 432
ASP A 368
 None
 1.35A 4pevC-2j7cA:
undetectable		 4pevC-2j7cA:
21.48
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.
2o3i HYPOTHETICAL PROTEIN

(Chromobacterium
violaceum) 		PF06032
(DUF917) 		5 PHE A  19
LEU A 255
PHE A 250
PHE A  20
GLY A  16
 None
 1.36A 4pevC-2o3iA:
undetectable		 4pevC-2o3iA:
24.14
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 SER A 569
LEU A 797
PHE A 796
PHE A 816
GLY A 814
 None
 1.41A 4pevC-2vz9A:
undetectable		 4pevC-2vz9A:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w18 PARTNER AND
LOCALIZER OF BRCA2

(Homo sapiens) 		PF16756
(PALB2_WD40) 		5 VAL A 928
ASN A 930
LEU A 961
PHE A 994
GLY A 999
 None
 1.17A 4pevC-2w18A:
undetectable		 4pevC-2w18A:
22.47
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		5 ASP A  17
VAL A  14
ASP A  23
LEU A  29
PHE A  93
 None
None
None
7E8  A1300 (-4.7A)
None
 1.38A 4pevC-2yevA:
undetectable		 4pevC-2yevA:
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		5 SER A 212
LEU A 274
PHE A 263
PHE A 247
GLY A 259
 None
 1.28A 4pevC-3akfA:
undetectable		 4pevC-3akfA:
22.27
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.
3fb4 ADENYLATE KINASE

(Jeotgalibacillus
marinus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 VAL A  59
SER A  30
GLY A  32
ASP A  84
LYS A  13
 AP5  A   0 (-4.0A)
AP5  A   0 ( 4.6A)
AP5  A   0 (-3.6A)
None
AP5  A   0 (-3.1A)
 1.44A 4pevC-3fb4A:
undetectable		 4pevC-3fb4A:
20.99
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.
3hbj FLAVONOID
3-O-GLUCOSYLTRANSFER
ASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 SER A 441
PHE A 445
LEU A 144
PHE A 248
GLY A 246
 None
 1.00A 4pevC-3hbjA:
undetectable		 4pevC-3hbjA:
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 ASP A 247
VAL A 244
LEU A 201
GLY A 179
ASP A 147
 SAH  A 401 (-4.6A)
SAH  A 401 ( 4.5A)
SAH  A 401 (-4.4A)
SAH  A 401 (-3.6A)
None
 1.37A 4pevC-3i58A:
2.5		 4pevC-3i58A:
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.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 VAL A 103
ASP A 119
LEU A 162
PHE A 136
GLY A 135
 None
 1.04A 4pevC-3l76A:
3.9		 4pevC-3l76A:
24.80
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.
3md0 ARGININE/ORNITHINE
TRANSPORT SYSTEM
ATPASE

(Mycobacterium
tuberculosis) 		PF03308
(ArgK) 		5 VAL A 263
PHE A 270
ASP A 173
GLY A 268
ASP A 271
 None
 1.40A 4pevC-3md0A:
4.7		 4pevC-3md0A:
24.18
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.
3nx4 PUTATIVE
OXIDOREDUCTASE

(Salmonella
enterica) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ASP A  64
SER A 118
LEU A 109
PHE A  65
GLY A  67
 None
 1.30A 4pevC-3nx4A:
3.9		 4pevC-3nx4A:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oa0 LIPOPOLYSACCHARIDE
BIOSYNTHESIS PROTEIN
WBPB

(Thermus
thermophilus) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 VAL A 221
ASP A 250
LEU A 143
PHE A 194
GLY A 218
 None
 1.18A 4pevC-3oa0A:
3.6		 4pevC-3oa0A:
23.01
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.
3pfq PROTEIN KINASE C
BETA TYPE

(Rattus
norvegicus) 		PF00069
(Pkinase)
PF00130
(C1_1)
PF00168
(C2)
PF00433
(Pkinase_C) 		5 SER A 260
PHE A 261
ASN A 287
LEU A 173
GLY A 262
 None
 1.50A 4pevC-3pfqA:
undetectable		 4pevC-3pfqA:
22.17
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.
3q19 GLUTATHIONE
S-TRANSFERASE
OMEGA-2

(Homo sapiens) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 SER A 172
PHE A 165
LEU A 158
GLY A 167
ASP A 175
 None
 1.09A 4pevC-3q19A:
undetectable		 4pevC-3q19A:
17.25
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.
3qik PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE-
DEPENDENT RAC
EXCHANGER 1 PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 VAL A 648
SER A 655
LEU A 698
PHE A 637
GLY A 636
 None
 1.35A 4pevC-3qikA:
undetectable		 4pevC-3qikA:
14.46
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.
3tdu CULLIN-1
DCN1-LIKE PROTEIN 1

(Homo sapiens) 		PF03556
(Cullin_binding)
PF10557
(Cullin_Nedd8) 		5 ASP A 241
VAL A 238
ASP A 231
LEU C 731
ASP C 770
 None
 1.34A 4pevC-3tduA:
undetectable		 4pevC-3tduA:
18.81
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.
3v8u TRANSFERRIN
BINDING-PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 ASP A 401
PHE A 403
PHE A  42
PHE A 321
GLY A 319
 None
 1.22A 4pevC-3v8uA:
undetectable		 4pevC-3v8uA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ve2 TRANSFERRIN-BINDING
PROTEIN 2

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 ASP A 398
PHE A 400
PHE A  43
PHE A 320
GLY A 318
 None
 1.24A 4pevC-3ve2A:
undetectable		 4pevC-3ve2A:
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.
3vqi ATG5

(Kluyveromyces
marxianus) 		PF04106
(APG5) 		5 PHE A 253
ASN A 251
LEU A 151
PHE A 189
ASP A 257
 None
 1.39A 4pevC-3vqiA:
undetectable		 4pevC-3vqiA:
19.15
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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 VAL A 604
LEU A 709
PHE A 704
PHE A 601
GLY A 598
 None
None
None
AP2  A 806 (-3.7A)
AP2  A 806 (-3.2A)
 1.33A 4pevC-3vthA:
undetectable		 4pevC-3vthA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bhd SERINE
HYDROXYMETHYLTRANSFE
RASE

(Methanocaldococcus
jannaschii) 		PF00464
(SHMT) 		5 PHE A 229
ASN A  32
LEU A  80
PHE A 228
GLY A 202
 None
 1.44A 4pevC-4bhdA:
5.6		 4pevC-4bhdA:
23.52
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.
4ci6 PROTEIN KINASE YOPO

(Yersinia
enterocolitica) 		PF00069
(Pkinase)
PF09632
(Rac1) 		5 VAL B 572
SER B 468
LEU B 461
GLY B 464
ASP B 469
 None
 1.48A 4pevC-4ci6B:
undetectable		 4pevC-4ci6B:
21.21
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 VAL A   7
SER A 186
LEU A 201
PHE A 153
GLY A 155
 None
 1.23A 4pevC-4e3aA:
4.6		 4pevC-4e3aA:
22.51
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.
4e4w DNA MISMATCH REPAIR
PROTEIN MLH1
DNA MISMATCH REPAIR
PROTEIN PMS1

(Saccharomyces
cerevisiae) 		PF08676
(MutL_C)
PF16413
(Mlh1_C) 		5 VAL A 539
LEU A 762
PHE A 766
PHE B 680
GLY B 683
 None
 1.43A 4pevC-4e4wA:
undetectable		 4pevC-4e4wA:
20.28
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.
4gxp BETA-GLUCOSIDASE
CHIMERIC PROTEIN

(Thermotoga
maritima;
Trichoderma
reesei) 		PF00232
(Glyco_hydro_1) 		5 VAL A  21
SER A 452
ASP A 423
GLY A 453
ASP A 388
 None
 1.35A 4pevC-4gxpA:
undetectable		 4pevC-4gxpA:
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.
4h4c 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE

(Escherichia
coli) 		PF02401
(LYTB) 		5 VAL A 275
SER A 269
ASP A 246
LEU A 244
GLY A 267
 None
10D  A 402 (-2.7A)
None
None
None
 1.21A 4pevC-4h4cA:
undetectable		 4pevC-4h4cA:
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.
4hy3 PHOSPHOGLYCERATE
OXIDOREDUCTASE

(Rhizobium etli) 		PF02826
(2-Hacid_dh_C) 		5 SER A 209
PHE A 211
LEU A 173
PHE A 213
GLY A 158
 None
 1.07A 4pevC-4hy3A:
4.0		 4pevC-4hy3A:
23.69
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.
4mup AMIDOHYDROLASE

(Agrobacterium
fabrum) 		PF04909
(Amidohydro_2) 		5 ASP A 172
VAL A 148
PHE A 223
PHE A 171
GLY A 152
 None
 1.46A 4pevC-4mupA:
undetectable		 4pevC-4mupA:
20.84
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.
4q6p CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF17033
(Peptidase_M99)
PF17129
(Peptidase_M99_C)
PF17130
(Peptidase_M99_m) 		5 VAL A  75
ASP A  48
PHE A  53
GLY A  52
ASP A 129
 None
 1.40A 4pevC-4q6pA:
3.0		 4pevC-4q6pA:
21.97
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.
4qbu ZMAA

(Bacillus cereus) 		PF00698
(Acyl_transf_1) 		5 VAL A 258
LEU A  98
PHE A 369
PHE A 354
GLY A 357
 None
 1.36A 4pevC-4qbuA:
3.0		 4pevC-4qbuA:
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 SER A 622
PHE A 642
ASP A 538
GLY A 640
ASP A 623
 None
 1.28A 4pevC-4rkuA:
undetectable		 4pevC-4rkuA:
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.
4rl1 TYPE I POLYKETIDE
SYNTHASE AVES 1

(Streptomyces
avermitilis) 		PF00698
(Acyl_transf_1) 		5 VAL A 281
LEU A 311
PHE A 298
PHE A 283
GLY A 118
 None
 1.35A 4pevC-4rl1A:
3.1		 4pevC-4rl1A:
24.95
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.
4ry1 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Pectobacterium
atrosepticum) 		PF13416
(SBP_bac_8) 		5 ASP A 248
LEU A 271
PHE A 252
GLY A 192
ASP A 198
 None
 1.20A 4pevC-4ry1A:
2.4		 4pevC-4ry1A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ukd URIDYLMONOPHOSPHATE/
CYTIDYLMONOPHOSPHATE
KINASE

(Dictyostelium
discoideum) 		PF00406
(ADK) 		5 VAL A  65
SER A  36
GLY A  38
ASP A  89
LYS A  19
 UDP  A 196 (-3.7A)
MG  A 500 ( 4.5A)
UDP  A 196 (-3.6A)
MG  A 500 ( 4.1A)
ADP  A 195 ( 2.7A)
 1.49A 4pevC-4ukdA:
undetectable		 4pevC-4ukdA:
17.45
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.
4xx6 BETA-XYLANASE

(Gloeophyllum
trabeum) 		PF00331
(Glyco_hydro_10) 		5 ASN A  70
LEU A 327
PHE A 328
PHE A  43
GLY A  44
 P6G  A 426 (-4.0A)
None
None
None
None
 1.35A 4pevC-4xx6A:
undetectable		 4pevC-4xx6A:
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.
4zmu DIGUANYLATE CYCLASE

(Pseudomonas
aeruginosa) 		PF00990
(GGDEF)
PF01590
(GAF) 		5 ASP A  53
SER A  75
ASP A  55
LEU A   6
GLY A  78
 None
 1.03A 4pevC-4zmuA:
undetectable		 4pevC-4zmuA:
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.
5anp BA41

(Bizionia
argentinensis) 		PF04536
(TPM_phosphatase) 		5 ASP A 147
ASP A 166
PHE A 151
GLY A 159
LYS A  65
 None
 1.15A 4pevC-5anpA:
undetectable		 4pevC-5anpA:
19.59
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.
5czy LEGIONELLA EFFECTOR
LEGAS4

(Legionella
pneumophila) 		PF00023
(Ank)
PF00856
(SET) 		5 ASP A 406
SER A 198
ASP A 409
PHE A 246
ASP A 197
 GOL  A 601 (-4.9A)
None
None
None
None
 1.39A 4pevC-5czyA:
undetectable		 4pevC-5czyA:
22.28
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.
5ft6 CYSTEINE DESULFURASE
CSDA

(Escherichia
coli) 		PF00266
(Aminotran_5) 		5 VAL A 336
ASP A 393
LEU A 312
PHE A 333
GLY A 317
 None
GOL  A 502 (-4.0A)
None
None
None
 1.28A 4pevC-5ft6A:
4.4		 4pevC-5ft6A:
23.32
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.
5idi 1,4-BETA-D-GLUCAN
GLUCOHYDROLASE

(Thermotoga
neapolitana) 		PF00232
(Glyco_hydro_1) 		5 VAL A  12
SER A 429
ASP A 400
GLY A 430
ASP A 366
 None
 1.38A 4pevC-5idiA:
undetectable		 4pevC-5idiA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ik8 LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		5 VAL A3110
PHE A3080
LEU A3087
PHE A2962
GLY A3063
 EDO  A4009 (-4.3A)
None
None
None
None
 1.44A 4pevC-5ik8A:
undetectable		 4pevC-5ik8A:
22.37
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.
5m8e ALPHA-N-ARABINOFURAN
OSIDASE

(Weissella
cibaria) 		PF04616
(Glyco_hydro_43) 		5 SER A 216
LEU A 278
PHE A 267
PHE A 251
GLY A 263
 None
 1.29A 4pevC-5m8eA:
undetectable		 4pevC-5m8eA:
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 5 SER 1 615
PHE 1 635
ASP 1 531
GLY 1 633
ASP 1 616
 None
 1.41A 4pevC-5oy01:
undetectable		 4pevC-5oy01:
15.61
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.
5t17 PHOSPHOCARRIER
PROTEIN NPR

(Escherichia
coli) 		PF00381
(PTS-HPr) 		5 VAL A   7
LEU A  23
PHE A  24
PHE A  83
GLY A  14
 None
 1.16A 4pevC-5t17A:
undetectable		 4pevC-5t17A:
12.09
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.
5xgz BETA-GLYCOSIDASE

(uncultured
microorganism) 		no annotation 5 VAL A  18
SER A 436
ASP A 407
GLY A 437
ASP A 373
 None
 1.34A 4pevC-5xgzA:
undetectable		 4pevC-5xgzA:
10.86
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.
5xru ADENYLATE KINASE

(Notothenia
coriiceps) 		no annotation 5 VAL A  67
SER A  38
GLY A  40
ASP A  93
LYS A  21
 AP5  A 201 (-4.0A)
AP5  A 201 ( 4.8A)
AP5  A 201 (-3.5A)
AP5  A 201 ( 4.7A)
AP5  A 201 (-2.8A)
 1.40A 4pevC-5xruA:
undetectable		 4pevC-5xruA:
10.90
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 5 ASP B 220
ASN B 386
LEU B 234
GLY B 384
ASP B 214
 None
 1.45A 4pevC-6btmB:
undetectable		 4pevC-6btmB:
12.19
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.
6ey5 T9SS COMPONENT
CYTOPLASMIC MEMBRANE
PROTEIN PORM

(Porphyromonas
gingivalis) 		no annotation 5 VAL A 450
LEU A 455
PHE A 491
PHE A 453
GLY A 434
 None
 1.46A 4pevC-6ey5A:
undetectable		 4pevC-6ey5A:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fpe TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE

(Thermotoga
maritima) 		no annotation 5 VAL B 167
SER B 159
PHE B 209
PHE B 164
GLY B 161
 None
None
None
PEG  B 402 ( 4.8A)
PEG  B 402 ( 3.8A)
 1.44A 4pevC-6fpeB:
undetectable		 4pevC-6fpeB:
11.33