SIMILAR PATTERNS OF AMINO ACIDS FOR 3A65_A_ACAA601

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.
1cwv INVASIN

(Yersinia
pseudotuberculosis) 		PF02369
(Big_1)
PF07979
(Intimin_C)
PF09134
(Invasin_D3) 		5 ALA A 637
VAL A 675
TYR A 659
ASN A 638
ILE A 598
 None
 1.50A 3a65A-1cwvA:
undetectable		 3a65A-1cwvA:
23.51
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.
1d6s O-ACETYLSERINE
SULFHYDRYLASE

(Salmonella
enterica) 		PF00291
(PALP) 		5 ALA A  75
SER A  39
ASN A  71
GLY A  45
ILE A  44
 None
None
PLP  A 501 ( 3.9A)
None
None
 1.12A 3a65A-1d6sA:
0.0		 3a65A-1d6sA:
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.
1iy8 LEVODIONE REDUCTASE

(Leifsonia
aquatica) 		PF13561
(adh_short_C2) 		5 VAL A  73
ASP A  72
SER A 122
GLY A 104
ILE A 102
 NAD  A1268 (-3.5A)
NAD  A1268 (-3.5A)
None
None
NAD  A1268 ( 4.9A)
 1.18A 3a65A-1iy8A:
0.0		 3a65A-1iy8A:
21.46
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.
1lxy ARGININE DEIMINASE

(Mycoplasma
arginini) 		PF02274
(Amidinotransf) 		5 ALA A 396
VAL A  23
SER A 400
GLY A 363
ILE A 362
 None
 1.20A 3a65A-1lxyA:
0.0		 3a65A-1lxyA:
21.05
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.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 VAL A 212
TYR A 188
SER A 176
GLY A 142
ILE A 163
 None
 1.38A 3a65A-1pguA:
0.0		 3a65A-1pguA:
20.61
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 MET A 622
TYR A 635
SER A 461
GLY A 621
ILE A 640
 None
 1.23A 3a65A-1r9jA:
0.0		 3a65A-1r9jA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		5 ALA A 144
VAL A  76
ASP A 159
GLY A 143
ILE A 142
 None
 1.48A 3a65A-1vheA:
0.0		 3a65A-1vheA:
22.95
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.
1vkn N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Thermotoga
maritima) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ALA A  73
VAL A 317
SER A 313
GLY A   8
ILE A   6
 None
 1.35A 3a65A-1vknA:
0.0		 3a65A-1vknA:
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.
1w99 PESTICIDIAL CRYSTAL
PROTEIN CRY4BA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 TYR A 332
ASP A 334
TYR A 455
GLY A 365
ILE A 331
 None
 1.46A 3a65A-1w99A:
0.0		 3a65A-1w99A:
22.12
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.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 ALA A 276
TYR A 240
VAL A 103
GLY A 277
ILE A 278
 None
 1.23A 3a65A-1woyA:
undetectable		 3a65A-1woyA:
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.
1xc3 PUTATIVE
FRUCTOKINASE

(Bacillus
subtilis) 		PF00480
(ROK) 		5 ALA A 106
VAL A  61
SER A 101
ASN A 105
GLY A 276
 None
 1.37A 3a65A-1xc3A:
undetectable		 3a65A-1xc3A:
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.
1yzp PEROXIDASE
MANGANESE-DEPENDENT
I

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 ALA A 127
VAL A   9
ASP A 291
GLY A 128
ILE A 287
 None
 1.42A 3a65A-1yzpA:
undetectable		 3a65A-1yzpA:
23.08
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.
2an1 PUTATIVE KINASE

(Salmonella
enterica) 		PF01513
(NAD_kinase) 		5 ALA A  67
VAL A 116
ASN A  89
GLY A   9
ILE A   8
 ALA  A  67 ( 0.0A)
VAL  A 116 ( 0.6A)
ASN  A  89 ( 0.6A)
GLY  A   9 ( 0.0A)
ILE  A   8 ( 0.7A)
 1.47A 3a65A-2an1A:
undetectable		 3a65A-2an1A:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bjs ISOPENICILLIN N
SYNTHETASE

(Aspergillus
nidulans) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 MET A 257
TYR A 160
SER A  36
GLY A 254
ILE A 220
 None
 1.37A 3a65A-2bjsA:
undetectable		 3a65A-2bjsA:
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.
2c5q RRAA-LIKE PROTEIN
YER010C

(Saccharomyces
cerevisiae) 		PF03737
(RraA-like) 		5 ALA A 107
TYR A  66
VAL A  52
TYR A  99
ILE A  67
 None
 1.02A 3a65A-2c5qA:
undetectable		 3a65A-2c5qA:
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.
2f4n HYPOTHETICAL PROTEIN
MJ1651

(Methanocaldococcus
jannaschii) 		PF01887
(SAM_adeno_trans) 		5 ALA A  64
VAL A 166
ASP A 108
GLY A  63
ILE A  60
 None
 1.24A 3a65A-2f4nA:
undetectable		 3a65A-2f4nA:
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.
2fcf MULTIPLE PDZ DOMAIN
PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 ALA A1196
VAL A1239
ASN A1199
GLY A1163
ILE A1164
 None
 1.21A 3a65A-2fcfA:
undetectable		 3a65A-2fcfA:
14.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 MET A  57
ALA A  56
VAL A 164
ASN A  54
ILE A  63
 None
 1.39A 3a65A-2ipiA:
undetectable		 3a65A-2ipiA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kdy FACTOR H BINDING
PROTEIN VARIANT
B01_001

(Neisseria
meningitidis) 		PF08794
(Lipoprot_C) 		5 ALA A 162
VAL A 197
TYR A 228
GLY A 256
ILE A 255
 None
 1.40A 3a65A-2kdyA:
undetectable		 3a65A-2kdyA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		5 MET A 161
ALA A 162
VAL A 122
SER A 128
GLY A 159
 None
 1.37A 3a65A-2o1xA:
undetectable		 3a65A-2o1xA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpw HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN

(Thermus
thermophilus) 		PF14589
(NrfD_2) 		5 TYR C 130
VAL C  25
ASP C  60
ASN C  18
ILE C  89
 MQ7  C1252 (-4.4A)
None
None
MQ7  C1252 (-3.1A)
MQ7  C1252 (-3.8A)
 1.40A 3a65A-2vpwC:
undetectable		 3a65A-2vpwC:
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.
2xuz IRON-UPTAKE
SYSTEM-BINDING
PROTEIN

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		5 ALA A 246
VAL A 269
TRP A 256
GLY A 182
ILE A 179
 None
PEG  A1303 (-4.1A)
None
None
None
 1.44A 3a65A-2xuzA:
undetectable		 3a65A-2xuzA:
19.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zm2 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Flavobacterium
sp.) 		PF00144
(Beta-lactamase) 		8 MET A 111
LYS A 115
VAL A 177
TRP A 186
TYR A 215
SER A 217
GLY A 344
ILE A 345
 MES  A 504 (-3.8A)
MES  A 504 (-3.1A)
MES  A 504 (-4.4A)
MES  A 504 (-4.0A)
GOL  A 505 ( 4.4A)
MES  A 504 ( 2.7A)
MES  A 501 (-3.5A)
MES  A 504 ( 3.7A)
 0.32A 3a65A-2zm2A:
67.9		 3a65A-2zm2A:
97.45
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.
3b9e CHITINASE A

(Vibrio harveyi) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		5 ALA A 565
VAL A 380
TYR A 385
ASN A 452
GLY A 566
 None
 1.49A 3a65A-3b9eA:
undetectable		 3a65A-3b9eA:
21.72
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.
3cpi RAB GDP-DISSOCIATION
INHIBITOR

(Saccharomyces
cerevisiae) 		PF00996
(GDI) 		5 ALA G 198
TYR G 180
VAL G 179
TYR G 205
ILE G 193
 None
 1.47A 3a65A-3cpiG:
undetectable		 3a65A-3cpiG:
20.17
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.
3d54 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE 1

(Thermotoga
maritima) 		PF13507
(GATase_5) 		5 MET D 184
ALA D 171
SER D 166
ASN D 164
GLY D 172
 CYG  D  86 ( 3.4A)
None
None
None
None
 1.35A 3a65A-3d54D:
undetectable		 3a65A-3d54D:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eno PUTATIVE
O-SIALOGLYCOPROTEIN
ENDOPEPTIDASE

(Thermoplasma
acidophilum) 		PF00814
(Peptidase_M22) 		5 MET A  26
VAL A 118
ASP A 279
GLY A  16
ILE A 288
 None
 1.42A 3a65A-3enoA:
undetectable		 3a65A-3enoA:
24.23
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.
3fcp L-ALA-D/L-GLU
EPIMERASE, A
MUCONATE LACTONIZING
ENZYME

(Klebsiella
pneumoniae) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 294
TYR A 271
VAL A 253
GLY A 295
ILE A 296
 None
 1.30A 3a65A-3fcpA:
undetectable		 3a65A-3fcpA:
21.75
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.
3fvr ACETYL XYLAN
ESTERASE

(Bacillus
pumilus) 		PF05448
(AXE1) 		5 TYR A  49
VAL A  51
ASN A 104
GLY A  98
ILE A  99
 None
 1.33A 3a65A-3fvrA:
undetectable		 3a65A-3fvrA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 MET L 136
VAL S 365
SER S 367
GLY L 135
ILE L 139
 None
 1.46A 3a65A-3g9kL:
undetectable		 3a65A-3g9kL:
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.
3h5l PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Ruegeria
pomeroyi) 		PF13458
(Peripla_BP_6) 		5 ALA A 112
TYR A 343
VAL A 365
GLY A  46
ILE A  45
 None
 1.37A 3a65A-3h5lA:
undetectable		 3a65A-3h5lA:
21.72
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 MET A1042
TYR A1078
ASN A1044
GLY A1041
ILE A 504
 None
 1.42A 3a65A-3ho8A:
undetectable		 3a65A-3ho8A:
16.74
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.
3icv LIPASE B

(Moesziomyces
antarcticus) 		no annotation 5 ALA A 164
VAL A 224
ASP A 221
TYR A 169
SER A 236
 None
 1.08A 3a65A-3icvA:
undetectable		 3a65A-3icvA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihg RDME

(Streptomyces
purpurascens) 		PF01494
(FAD_binding_3) 		5 ALA A 452
VAL A 504
TRP A 512
GLY A 453
ILE A 496
 None
 1.37A 3a65A-3ihgA:
undetectable		 3a65A-3ihgA:
25.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ijp DIHYDRODIPICOLINATE
REDUCTASE

(Bartonella
henselae) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		5 ALA A   8
VAL A  55
ASP A  43
GLY A  13
ILE A  17
 None
 1.08A 3a65A-3ijpA:
undetectable		 3a65A-3ijpA:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3isl PURINE CATABOLISM
PROTEIN PUCG

(Bacillus
subtilis) 		PF00266
(Aminotran_5) 		5 ALA A  79
VAL A 217
SER A  83
GLY A  76
ILE A 211
 None
 1.35A 3a65A-3islA:
undetectable		 3a65A-3islA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mca ELONGATION FACTOR 1
ALPHA-LIKE PROTEIN

(Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3) 		5 ALA A 262
VAL A 182
ASP A 287
SER A 270
ILE A 197
 None
 1.16A 3a65A-3mcaA:
undetectable		 3a65A-3mcaA:
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.
3mca PROTEIN DOM34

(Schizosaccharomyces
pombe) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		5 ALA B 139
TYR B 271
VAL B 272
GLY B 138
ILE B 137
 None
 1.49A 3a65A-3mcaB:
undetectable		 3a65A-3mcaB:
22.00
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.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		5 TYR A  47
VAL A 291
ASN A 286
GLY A  55
ILE A 251
 None
None
NA  A 752 (-2.9A)
None
None
 1.49A 3a65A-3mpnA:
undetectable		 3a65A-3mpnA:
23.31
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.
3poh ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1

(Bacteroides
thetaiotaomicron) 		PF08522
(DUF1735) 		5 ALA A 369
TYR A 359
VAL A 352
GLY A 388
ILE A 387
 None
 1.17A 3a65A-3pohA:
undetectable		 3a65A-3pohA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rr2 CYSTEINE SYNTHASE

(Mycobacterium
marinum) 		PF00291
(PALP) 		5 ALA A  78
SER A  42
ASN A  74
GLY A  48
ILE A  47
 None
 1.23A 3a65A-3rr2A:
undetectable		 3a65A-3rr2A:
21.64
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.
3rwo GTP-BINDING PROTEIN
YPT32/YPT11

(Saccharomyces
cerevisiae) 		no annotation 5 ALA B  70
TYR B  82
VAL B  17
TRP B 107
GLY B  71
 MG  B1176 ( 4.4A)
None
None
None
None
 1.23A 3a65A-3rwoB:
undetectable		 3a65A-3rwoB:
18.97
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.
3zei O-ACETYLSERINE
SULFHYDRYLASE

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 ALA A  78
SER A  42
ASN A  74
GLY A  48
ILE A  47
 None
None
PLP  A1301 (-3.8A)
None
None
 1.18A 3a65A-3zeiA:
undetectable		 3a65A-3zeiA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zs3 THAUMATIN-LIKE
PROTEIN

(Malus domestica) 		PF00314
(Thaumatin) 		5 ALA A  82
VAL A  77
SER A  74
ASN A  80
GLY A  83
 None
FMT  A1231 (-4.2A)
None
None
None
 1.25A 3a65A-3zs3A:
undetectable		 3a65A-3zs3A:
21.05
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.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		5 ALA A 293
VAL A 439
TRP A 456
SER A 262
GLY A 282
 None
None
NAD  A1498 (-4.4A)
None
None
 1.38A 3a65A-4a0mA:
undetectable		 3a65A-4a0mA:
24.90
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.
4af0 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Cryptococcus
neoformans) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 TYR B 425
VAL B  91
SER B  86
GLY B 342
ILE B 344
 IMP  B1527 (-4.6A)
None
IMP  B1527 (-2.6A)
IMP  B1527 (-3.3A)
None
 1.44A 3a65A-4af0B:
undetectable		 3a65A-4af0B:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b2q ATP SYNTHASE SUBUNIT
BETA, MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 VAL D 141
ASP D 142
SER D 355
GLY D 151
ILE D 153
 None
 1.41A 3a65A-4b2qD:
undetectable		 3a65A-4b2qD:
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.
4gou EHRGS-RHOGEF

(Entamoeba
histolytica) 		PF00615
(RGS)
PF00621
(RhoGEF) 		5 ALA A 385
VAL A 450
TRP A 176
GLY A 406
ILE A 407
 None
 1.04A 3a65A-4gouA:
undetectable		 3a65A-4gouA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gz8 SEMAPHORIN-3A

(Mus musculus) 		PF01403
(Sema) 		5 MET A 492
ALA A 491
VAL A 327
GLY A 504
ILE A 489
 None
 1.25A 3a65A-4gz8A:
undetectable		 3a65A-4gz8A:
17.30
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.
4hea NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 12

(Thermus
thermophilus) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N) 		5 ALA L 213
TYR L 260
VAL L 266
GLY L 249
ILE L 253
 None
 1.14A 3a65A-4heaL:
undetectable		 3a65A-4heaL:
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.
4hyn CHEC, INHIBITOR OF
MCP METHYLATION /
FLIN FUSION PROTEIN

(Thermotoga
maritima) 		PF04509
(CheC) 		5 MET A 138
ALA A 141
TYR A  86
GLY A 139
ILE A 155
 None
 1.39A 3a65A-4hynA:
undetectable		 3a65A-4hynA:
19.52
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 5 MET D 239
ALA D 188
VAL D   6
GLY D 189
ILE D 171
 None
 1.29A 3a65A-4jrmD:
undetectable		 3a65A-4jrmD:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4li3 CYSTEINE SYNTHASE

(Haemophilus
influenzae) 		PF00291
(PALP) 		5 ALA X  76
SER X  40
ASN X  72
GLY X  46
ILE X  45
 LLP  X  42 ( 3.2A)
LLP  X  42 ( 3.0A)
LLP  X  42 ( 3.8A)
LLP  X  42 ( 3.7A)
LLP  X  42 ( 4.0A)
 1.08A 3a65A-4li3X:
undetectable		 3a65A-4li3X:
23.02
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.
4lma CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 ALA A  81
SER A  44
ASN A  77
GLY A  50
ILE A  49
 None
PLP  A 403 ( 4.7A)
PLP  A 403 (-3.9A)
None
None
 1.11A 3a65A-4lmaA:
undetectable		 3a65A-4lmaA:
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 ALA A  81
SER A  44
ASN A  77
GLY A  50
ILE A  49
 None
None
PLP  A 403 ( 3.7A)
None
None
 1.15A 3a65A-4lmbA:
undetectable		 3a65A-4lmbA:
22.00
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.
4p6y AMINOPEPTIDASE

(Thermotoga
maritima) 		PF05343
(Peptidase_M42) 		5 TYR A 287
SER A 194
ASN A  43
GLY A 191
ILE A  56
 None
 1.24A 3a65A-4p6yA:
undetectable		 3a65A-4p6yA:
23.19
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.
4qfh GLUCOSE-6-PHOSPHATE
ISOMERASE

(Trypanosoma
cruzi) 		PF00342
(PGI) 		5 MET A 489
ASP A 103
TYR A 381
GLY A 524
ILE A  72
 None
 1.29A 3a65A-4qfhA:
undetectable		 3a65A-4qfhA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r8e 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Yersinia pestis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 MET A 238
ALA A 187
VAL A   5
GLY A 188
ILE A 170
 None
 1.28A 3a65A-4r8eA:
undetectable		 3a65A-4r8eA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		5 MET A 550
ALA A 551
VAL A 314
ASP A 316
ILE A 379
 None
 1.23A 3a65A-4tr2A:
undetectable		 3a65A-4tr2A:
21.28
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.
4w99 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH, B-SPECIFIC]
1, MITOCHONDRIAL

(Candida
tropicalis) 		no annotation 5 TYR A 370
VAL A  67
ASP A  71
TYR A 386
SER A  65
 None
 1.37A 3a65A-4w99A:
undetectable		 3a65A-4w99A:
21.58
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.
4xn3 TAIL SPIKE PROTEIN

(Salmonella
virus HK620) 		no annotation 5 TYR A 393
ASP A 339
ASN A 471
GLY A 468
ILE A 426
 NAG  A1006 (-3.4A)
NDG  A1005 (-3.0A)
NDG  A1005 (-3.3A)
GLC  A1007 (-3.2A)
None
 1.47A 3a65A-4xn3A:
undetectable		 3a65A-4xn3A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9v PARTICLE-ASSOCIATED
LYASE

(Acinetobacter
virus AP22) 		no annotation 5 ALA A 403
TYR A 392
VAL A 422
GLY A 381
ILE A 382
 None
 1.37A 3a65A-4y9vA:
undetectable		 3a65A-4y9vA:
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		5 ALA A 136
VAL A 125
ASP A 176
GLY A 140
ILE A 139
 None
 1.31A 3a65A-4yyfA:
undetectable		 3a65A-4yyfA:
24.89
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.
4zv7 LIPASE B

(Moesziomyces
antarcticus) 		no annotation 5 ALA A 130
VAL A 190
ASP A 187
TYR A 135
SER A 202
 None
 1.07A 3a65A-4zv7A:
undetectable		 3a65A-4zv7A:
23.10
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 MET A 356
TYR A 262
VAL A 318
GLY A 355
ILE A 276
 None
 1.16A 3a65A-4zxiA:
undetectable		 3a65A-4zxiA:
16.02
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.
5anb EUKARYOTIC
TRANSLATION
INITIATION FACTOR 6

(Dictyostelium
discoideum) 		PF01912
(eIF-6) 		5 ALA I  64
VAL I 135
ASN I  66
GLY I 105
ILE I 108
 None
 1.43A 3a65A-5anbI:
undetectable		 3a65A-5anbI:
21.52
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.
5bmo PUTATIVE
UNCHARACTERIZED
PROTEIN LNMX

(Streptomyces
atroolivaceus) 		PF02585
(PIG-L) 		5 ALA A  29
TYR A  45
VAL A  80
GLY A  28
ILE A  25
 None
 1.43A 3a65A-5bmoA:
undetectable		 3a65A-5bmoA:
23.93
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.
5bmo PUTATIVE
UNCHARACTERIZED
PROTEIN LNMX

(Streptomyces
atroolivaceus) 		PF02585
(PIG-L) 		5 TYR A  45
VAL A  80
TRP A  36
GLY A  28
ILE A  25
 None
 1.30A 3a65A-5bmoA:
undetectable		 3a65A-5bmoA:
23.93
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.
5cxo EPOXIDE HYDROLASE

(Streptomyces
albus) 		PF12680
(SnoaL_2) 		5 MET A  87
ALA A  61
ASP A  38
SER A  57
ASN A  58
 P6G  A 202 (-3.1A)
None
P6G  A 202 (-3.8A)
P6G  A 202 (-3.2A)
P6G  A 202 (-3.2A)
 1.12A 3a65A-5cxoA:
undetectable		 3a65A-5cxoA:
17.05
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.
5fcc HUTD

(Pseudomonas
fluorescens) 		PF05962
(HutD) 		5 ALA A  57
VAL A  97
ASP A  76
SER A  55
GLY A  58
 None
 1.20A 3a65A-5fccA:
undetectable		 3a65A-5fccA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jy7 MALTOKINASE

(Mycolicibacterium
smegmatis) 		PF01636
(APH) 		5 MET I 192
ASP I 321
SER I 132
ASN I 133
GLY I 191
 None
 1.31A 3a65A-5jy7I:
undetectable		 3a65A-5jy7I:
24.32
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.
5kp7 CURD

(Moorea
producens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 ALA A  43
VAL A  11
TYR A  54
GLY A 169
ILE A 297
 None
 1.05A 3a65A-5kp7A:
undetectable		 3a65A-5kp7A:
23.05
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		5 TYR A 155
TRP A 236
SER A 109
GLY A 147
ILE A 146
 None
 1.34A 3a65A-5lrbA:
undetectable		 3a65A-5lrbA:
17.19
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.
5lxv SCAFFOLDIN C

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin) 		5 VAL A  89
TYR A  43
SER A  87
GLY A 113
ILE A 111
 None
 1.32A 3a65A-5lxvA:
undetectable		 3a65A-5lxvA:
20.41
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.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 5 MET A 554
ALA A 553
ASN A 490
GLY A 565
ILE A 551
 None
None
ZN  A 805 ( 4.8A)
None
None
 1.41A 3a65A-5m11A:
undetectable		 3a65A-5m11A:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m89 SPLICEOSOME WD40 SC

(Chaetomium
thermophilum) 		no annotation 5 ALA A 247
VAL A 203
SER A 207
GLY A 258
ILE A 257
 None
 1.30A 3a65A-5m89A:
undetectable		 3a65A-5m89A:
10.97
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 681
TYR A 677
VAL A 608
ASP A 612
ASN A 687
 None
 1.47A 3a65A-5oasA:
undetectable		 3a65A-5oasA:
20.90
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.
5ofb MORC FAMILY CW-TYPE
ZINC FINGER PROTEIN
2

(Homo sapiens) 		no annotation 5 MET B 405
ALA B 406
VAL B 372
TRP B 475
ILE B 461
 None
 1.20A 3a65A-5ofbB:
undetectable		 3a65A-5ofbB:
13.80
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.
5ou3 INOSINE-5'-MONOPHOSP
HATE
DEHYDROGENASE,INOSIN
E-5'-MONOPHOSPHATE
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		no annotation 5 TYR A 281
VAL A  73
SER A  68
GLY A 198
ILE A 200
 IMP  A 400 (-4.6A)
None
IMP  A 400 (-2.8A)
IMP  A 400 (-3.5A)
None
 1.39A 3a65A-5ou3A:
undetectable		 3a65A-5ou3A:
12.24
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.
5upb ACETOACETATE
DECARBOXYLASE

(Sphingomonas
wittichii) 		PF06314
(ADC) 		5 ALA A  26
TYR A  82
VAL A 106
ASP A 107
GLY A  25
 None
 1.00A 3a65A-5upbA:
undetectable		 3a65A-5upbA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xa2 CYSTEINE SYNTHASE

(Planctopirus
limnophila) 		PF00291
(PALP) 		5 ALA A  78
SER A  42
ASN A  74
GLY A  48
ILE A  47
 LLP  A  44 ( 3.2A)
LLP  A  44 ( 3.1A)
LLP  A  44 ( 3.8A)
LLP  A  44 ( 3.7A)
LLP  A  44 ( 4.1A)
 1.17A 3a65A-5xa2A:
undetectable		 3a65A-5xa2A:
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.
5z0c NEROL DEHYDROGENASE

(Persicaria
minor) 		no annotation 5 MET A 338
ALA A 337
TYR A 139
ASN A 335
ILE A  50
 None
 1.27A 3a65A-5z0cA:
undetectable		 3a65A-5z0cA:
10.62
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.
6c6k INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 1

(Homo sapiens) 		no annotation 5 ALA A 181
VAL A 223
ASN A 218
GLY A 182
ILE A 185
 None
 1.27A 3a65A-6c6kA:
undetectable		 3a65A-6c6kA:
10.96
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.
6cfw MBH SUBUNIT
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT F

(Pyrococcus
furiosus) 		no annotation 5 ALA D  74
VAL B  34
TYR B  64
SER B  68
GLY D  73
 None
 1.49A 3a65A-6cfwD:
undetectable		 3a65A-6cfwD:
11.31
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.
6cxh PARTICULATE METHANE
MONOOXYGENASE, A
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE, C
SUBUNIT

(Methylomicrobium
alcaliphilum) 		no annotation 5 TYR C 113
VAL C 186
SER C 226
GLY B  35
ILE C 117
 None
 1.39A 3a65A-6cxhC:
undetectable		 3a65A-6cxhC:
12.02
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.
6d3i -

(-) 		no annotation 5 MET A 126
VAL A  80
ASP A 113
TRP A 263
ILE A  95
 AKG  A 302 ( 4.5A)
None
CO  A 301 ( 2.5A)
None
AKG  A 302 (-4.2A)
 1.40A 3a65A-6d3iA:
undetectable		 3a65A-6d3iA:
undetectable