SIMILAR PATTERNS OF AMINO ACIDS FOR 1E3V_A_DXCA801

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.
1b9y PROTEIN (PHOSDUCIN)

(Rattus
norvegicus) 		PF02114
(Phosducin) 		5 TYR C 162
GLY C 225
PHE C 167
VAL C 137
LEU C 189
 None
 1.37A 1e3vA-1b9yC:
0.0		 1e3vA-1b9yC:
20.33
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.
1h3g CYCLOMALTODEXTRINASE

(Flavobacterium
sp. 92) 		PF00128
(Alpha-amylase)
PF09087
(Cyc-maltodext_N)
PF10438
(Cyc-maltodext_C) 		5 TYR A 156
GLY A 159
PHE A 449
LEU A 504
ALA A 497
 None
 1.43A 1e3vA-1h3gA:
undetectable		 1e3vA-1h3gA:
13.21
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.
1iq0 ARGINYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		5 GLY A  37
PHE A  67
VAL A  68
LEU A  64
ALA A   9
 None
 1.31A 1e3vA-1iq0A:
0.0		 1e3vA-1iq0A:
12.98
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.
1oa4 ENDO-BETA-1,4-GLUCAN
ASE

(Streptomyces
sp. 11AG8) 		PF01670
(Glyco_hydro_12) 		5 TYR A  93
GLY A 129
LEU A 164
ALA A 102
TRP A 124
 None
 1.24A 1e3vA-1oa4A:
0.0		 1e3vA-1oa4A:
21.08
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.
1qi9 PROTEIN (VANADIUM
BROMOPEROXIDASE)

(Ascophyllum
nodosum) 		no annotation 5 GLY A 201
PHE A 478
VAL A 474
LEU A 495
ALA A 179
 None
 1.47A 1e3vA-1qi9A:
0.0		 1e3vA-1qi9A:
16.09
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.
1re5 3-CARBOXY-CIS,CIS-MU
CONATE
CYCLOISOMERASE

(Pseudomonas
putida) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 GLY A 113
PHE A 236
LEU A 188
MET A  15
ALA A 121
 None
 1.38A 1e3vA-1re5A:
undetectable		 1e3vA-1re5A:
16.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cxe RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Pyrococcus
horikoshii) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 TYR A 129
PHE A 102
VAL A 105
LEU A 120
MET A 304
 None
 1.41A 1e3vA-2cxeA:
0.0		 1e3vA-2cxeA:
14.39
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.
2dgk GLUTAMATE
DECARBOXYLASE BETA

(Escherichia
coli) 		PF00282
(Pyridoxal_deC) 		5 TYR A 339
GLY A 247
PHE A 331
VAL A 104
ALA A 280
 None
 1.36A 1e3vA-2dgkA:
0.0		 1e3vA-2dgkA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gep SULFITE REDUCTASE
HEMOPROTEIN

(Escherichia
coli) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 PHE A 122
GLY A 110
LEU A 380
MET A 136
ALA A  98
 None
 1.37A 1e3vA-2gepA:
0.0		 1e3vA-2gepA:
14.32
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.
2i79 ACETYLTRANSFERASE,
GNAT FAMILY

(Streptococcus
pneumoniae) 		PF00583
(Acetyltransf_1) 		5 PHE A 144
TYR A 139
GLY A 168
LEU A 121
ALA A 111
 None
ACO  A 402 (-4.7A)
None
None
None
 1.47A 1e3vA-2i79A:
undetectable		 1e3vA-2i79A:
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.
2ksm MYCOBACTERIUM
TUBERCULOSIS
RV0899/MT0922/OMPATB

(Mycobacterium
tuberculosis) 		PF04972
(BON) 		5 PHE A  97
GLY A  95
VAL A 155
LEU A 153
ALA A 138
 None
 1.31A 1e3vA-2ksmA:
undetectable		 1e3vA-2ksmA:
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.
2oip CHAIN A, CRYSTAL
STRUCTURE OF DHFR

(Cryptosporidium
hominis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		5 TYR A 466
GLY A 428
VAL A 247
LEU A 243
ASP A 462
 UMP  A 603 ( 4.3A)
None
None
None
None
 1.40A 1e3vA-2oipA:
undetectable		 1e3vA-2oipA:
14.29
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.
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 TYR A 503
GLY A1028
PHE A1048
VAL A1050
LEU A1058
 None
 1.40A 1e3vA-3bg9A:
undetectable		 1e3vA-3bg9A:
11.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cwv DNA GYRASE, B
SUBUNIT, TRUNCATED

(Myxococcus
xanthus) 		PF00204
(DNA_gyraseB) 		5 ASP A 169
TYR A  35
PHE A 191
VAL A  57
ALA A 171
 None
 1.49A 1e3vA-3cwvA:
undetectable		 1e3vA-3cwvA:
18.00
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.
3cym UNCHARACTERIZED
PROTEIN BAD_0989

(Bifidobacterium
adolescentis) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		5 TYR A  28
GLY A  37
PHE A  85
VAL A  89
ALA A  41
 None
 1.31A 1e3vA-3cymA:
undetectable		 1e3vA-3cymA:
14.19
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.
3dvf AMYLOIDOGENIC
IMMUNOGLOBULIN LIGHT
CHAIN PROTEIN AL-12

(Homo sapiens) 		PF07686
(V-set) 		5 TYR A  86
PHE A  62
VAL A  58
ASP A  82
ALA A  81
 None
 1.29A 1e3vA-3dvfA:
undetectable		 1e3vA-3dvfA:
21.37
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.
3e0h UNCHARACTERIZED
PROTEIN

(Chlorobaculum
tepidum) 		PF06445
(GyrI-like) 		5 TYR A 106
TYR A 135
VAL A 112
LEU A 116
ALA A 131
 None
 1.40A 1e3vA-3e0hA:
undetectable		 1e3vA-3e0hA:
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 GLY A 476
PHE A 491
VAL A 503
LEU A 556
ALA A 519
 None
 1.27A 1e3vA-3eqnA:
undetectable		 1e3vA-3eqnA:
9.36
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.
3fj1 PUTATIVE
PHOSPHOSUGAR
ISOMERASE

(Ruegeria
pomeroyi) 		PF01380
(SIS) 		5 TYR A  59
GLY A 162
VAL A  19
LEU A  23
ALA A 178
 None
 1.29A 1e3vA-3fj1A:
undetectable		 1e3vA-3fj1A:
16.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 1
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 2

(Thermus
thermophilus;
Thermus
thermophilus) 		PF01512
(Complex1_51K)
PF10531
(SLBB)
PF10589
(NADH_4Fe-4S)
PF01257
(2Fe-2S_thioredx) 		5 TYR 1 133
PHE 2  66
TYR 2  67
LEU 1 402
ALA 1 187
 None
None
None
SF4  1 439 ( 3.3A)
None
 1.45A 1e3vA-3i9v1:
undetectable		 1e3vA-3i9v1:
16.01
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.
3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE

(Thermococcus
sibiricus) 		PF00106
(adh_short) 		5 PHE A  92
TYR A 150
GLY A 186
VAL A 181
ASP A 138
 PG4  A 241 (-3.6A)
GOL  A 246 ( 4.4A)
PG4  A 241 ( 3.9A)
NJP  A 501 (-3.9A)
GOL  A 246 ( 2.4A)
 1.49A 1e3vA-3l77A:
undetectable		 1e3vA-3l77A:
19.66
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.
3ldr FRUCTOSYLTRANSFERASE

(Aspergillus
japonicus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 TYR A 232
GLY A 342
PHE A 298
VAL A 311
ALA A 198
 None
 1.29A 1e3vA-3ldrA:
undetectable		 1e3vA-3ldrA:
11.69
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.
3m8l CAPSID PROTEIN

(Feline
calicivirus) 		PF00915
(Calici_coat) 		5 GLY A 616
VAL A 176
LEU A 188
ASP A 620
ALA A 658
 None
 1.44A 1e3vA-3m8lA:
undetectable		 1e3vA-3m8lA:
12.62
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.
3m8y PHOSPHOPENTOMUTASE

(Bacillus cereus) 		PF01676
(Metalloenzyme) 		5 PHE A 366
GLY A  88
PHE A  26
ASP A  22
ALA A  20
 None
TPO  A  85 ( 3.8A)
None
None
None
 1.08A 1e3vA-3m8yA:
undetectable		 1e3vA-3m8yA:
13.51
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.
3mfg V_SEGMENT
TRANSLATION PRODUCT

(Homo sapiens) 		PF07686
(V-set) 		5 TYR B  90
PHE B  38
PHE B  65
VAL B  60
ASP B  86
 None
 1.39A 1e3vA-3mfgB:
undetectable		 1e3vA-3mfgB:
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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		5 GLY A 667
PHE A 710
VAL A 675
LEU A 678
ALA A 698
 None
 1.33A 1e3vA-3nowA:
undetectable		 1e3vA-3nowA:
10.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3owu STEROID
DELTA-ISOMERASE

(Pseudomonas
putida) 		PF12680
(SnoaL_2) 		10 TYR A  16
PHE A  56
TYR A  57
GLY A  60
VAL A  88
LEU A  99
ASP A 103
MET A 116
ALA A 118
TRP A 120
 EQU  A 200 (-4.5A)
None
None
EQU  A 200 (-4.5A)
None
None
EQU  A 200 (-2.9A)
EQU  A 200 (-4.9A)
EQU  A 200 ( 4.1A)
EQU  A 200 (-4.0A)
 0.42A 1e3vA-3owuA:
25.2		 1e3vA-3owuA:
96.18
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.
3pls MACROPHAGE-STIMULATI
NG PROTEIN RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ASP A1226
GLY A1094
VAL A1159
MET A1215
ALA A1225
 MG  A   1 ( 3.2A)
None
None
ANP  A1358 (-3.9A)
None
 1.34A 1e3vA-3plsA:
undetectable		 1e3vA-3plsA:
16.99
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.
3q1x SERINE
ACETYLTRANSFERASE

(Entamoeba
histolytica) 		PF00132
(Hexapep) 		5 ASP A 114
PHE A 177
GLY A 129
LEU A 122
ALA A 116
 None
 1.45A 1e3vA-3q1xA:
undetectable		 1e3vA-3q1xA:
17.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qom 6-PHOSPHO-BETA-GLUCO
SIDASE

(Lactobacillus
plantarum) 		PF00232
(Glyco_hydro_1) 		5 PHE A 287
VAL A 273
LEU A 304
MET A 211
ALA A 215
 None
 1.45A 1e3vA-3qomA:
undetectable		 1e3vA-3qomA:
13.72
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.
3qz4 ENDO-1,4-BETA-XYLANA
SE D

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		5 ASP A  39
TYR A 243
GLY A 308
ASP A 163
ALA A 101
 EPE  A 338 (-2.7A)
None
None
EPE  A 338 ( 4.6A)
UNX  A 334 ( 4.8A)
 0.93A 1e3vA-3qz4A:
undetectable		 1e3vA-3qz4A:
14.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t8u STEROID
DELTA-ISOMERASE

(Comamonas
testosteroni) 		PF12680
(SnoaL_2) 		6 ASP A  38
PHE A  54
PHE A  82
VAL A  65
MET A 112
ALA A 114
 None
 1.45A 1e3vA-3t8uA:
21.5		 1e3vA-3t8uA:
34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t8u STEROID
DELTA-ISOMERASE

(Comamonas
testosteroni) 		PF12680
(SnoaL_2) 		6 ASP A  38
PHE A  54
PHE A  82
VAL A  84
MET A 112
ALA A 114
 None
 0.77A 1e3vA-3t8uA:
21.5		 1e3vA-3t8uA:
34.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t8u STEROID
DELTA-ISOMERASE

(Comamonas
testosteroni) 		PF12680
(SnoaL_2) 		5 ASP A  38
PHE A  54
VAL A  95
MET A 112
ALA A 114
 None
 1.24A 1e3vA-3t8uA:
21.5		 1e3vA-3t8uA:
34.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uvf INTRON-ENCODED DNA
ENDONUCLEASE I-HJEMI

(Trichoderma
reesei) 		PF00961
(LAGLIDADG_1) 		5 TYR A 256
GLY A 151
VAL A 214
LEU A 187
ALA A 221
 None
 1.25A 1e3vA-3uvfA:
undetectable		 1e3vA-3uvfA:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4au7 HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H2

(Mus musculus) 		PF00856
(SET) 		5 TYR A 217
PHE A 191
VAL A 201
LEU A 138
ALA A 179
 None
 1.49A 1e3vA-4au7A:
undetectable		 1e3vA-4au7A:
18.65
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		5 PHE A  77
VAL A  61
LEU A  84
MET A 339
ALA A 258
 None
 1.35A 1e3vA-4el8A:
undetectable		 1e3vA-4el8A:
12.04
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.
4ht1 CHIMERIC ANTIBODY
FAB

(Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TYR L  86
PHE L  62
VAL L  58
ASP L  82
ALA L  81
 None
 1.27A 1e3vA-4ht1L:
undetectable		 1e3vA-4ht1L:
17.57
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.
4j3q CATECHOL OXIDASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		5 ASP A 305
GLY A 287
VAL A 157
LEU A 310
MET A 237
 None
 1.41A 1e3vA-4j3qA:
undetectable		 1e3vA-4j3qA:
17.59
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.
4jc8 HOPS COMPONENT VPS33

(Chaetomium
thermophilum) 		PF00995
(Sec1) 		5 ASP A 314
TYR A 309
GLY A 304
VAL A 148
ALA A 618
 None
 1.11A 1e3vA-4jc8A:
undetectable		 1e3vA-4jc8A:
10.75
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.
4k2b NTD BIOSYNTHESIS
OPERON PROTEIN NTDA

(Bacillus
subtilis) 		PF01041
(DegT_DnrJ_EryC1) 		5 TYR A 324
ASP A 425
GLY A 430
PHE A 419
VAL A  67
 None
 1.49A 1e3vA-4k2bA:
undetectable		 1e3vA-4k2bA:
15.56
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.
4le5 S-ADENOSYLMETHIONINE
SYNTHETASE

(Campylobacter
jejuni) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 TYR A 177
TYR A 266
GLY A 264
VAL A 173
ALA A 136
 None
 1.42A 1e3vA-4le5A:
undetectable		 1e3vA-4le5A:
16.00
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.
4nmw PIMELYL-[ACYL-CARRIE
R PROTEIN] METHYL
ESTER ESTERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		5 GLY A  85
VAL A  17
LEU A  16
MET A 197
ALA A 101
 None
 1.22A 1e3vA-4nmwA:
undetectable		 1e3vA-4nmwA:
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.
4nov XYLOSIDASE/ARABINOFU
RANOSIDASE XSA43E

(Butyrivibrio
proteoclasticus) 		PF04616
(Glyco_hydro_43) 		5 TYR A  50
ASP A  24
VAL A 254
ASP A  41
ALA A  23
 None
TRS  A 402 (-2.9A)
None
None
None
 1.47A 1e3vA-4novA:
undetectable		 1e3vA-4novA:
14.29
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.
4p7t POLYHEDRAL BODIES

(Citrobacter
freundii) 		PF00936
(BMC) 		5 GLY A  69
VAL A  43
LEU A  14
MET A  24
ALA A  21
 None
 1.41A 1e3vA-4p7tA:
undetectable		 1e3vA-4p7tA:
26.81
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.
4qg5 PUTATIVE
PHOSPHOGLUCOMUTASE

(Leishmania
major) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 PHE A 418
GLY A 403
PHE A 363
VAL A 344
ALA A 325
 None
 1.41A 1e3vA-4qg5A:
undetectable		 1e3vA-4qg5A:
12.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ry8 PERIPLASMIC BINDING
PROTEIN

(Pseudothermotoga
lettingae) 		PF13407
(Peripla_BP_4) 		5 ASP A 137
GLY A 271
PHE A 121
VAL A 277
ASP A 122
 SR1  A 401 ( 4.9A)
None
None
None
SR1  A 401 (-3.1A)
 1.04A 1e3vA-4ry8A:
undetectable		 1e3vA-4ry8A:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 TYR A 582
ASP A 586
GLY A 591
LEU A 610
ALA A 585
 None
 1.11A 1e3vA-4sliA:
undetectable		 1e3vA-4sliA:
12.36
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.
4wmh HEME OXYGENASE 2

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		5 PHE A 186
TYR A 187
PHE A  53
VAL A  54
ALA A  70
 None
 1.46A 1e3vA-4wmhA:
undetectable		 1e3vA-4wmhA:
23.61
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		5 TYR A 546
ASP A 550
GLY A 555
LEU A 574
ALA A 549
 None
 1.15A 1e3vA-4x6kA:
1.5		 1e3vA-4x6kA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		5 TYR B 307
PHE B 281
VAL B 291
LEU B 227
ALA B 269
 539  B 403 ( 3.9A)
539  B 403 (-3.5A)
None
None
539  B 403 ( 4.0A)
 1.48A 1e3vA-5cprB:
undetectable		 1e3vA-5cprB:
17.09
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.
5h7d PUTRESCINE
AMINOTRANSFERASE,IMM
UNOGLOBULIN
G-BINDING PROTEIN A

(Escherichia
coli;
Staphylococcus
aureus) 		PF00202
(Aminotran_3)
PF02216
(B) 		5 GLY A 369
PHE A 395
VAL A 381
MET A 408
ALA A 448
 None
 1.00A 1e3vA-5h7dA:
undetectable		 1e3vA-5h7dA:
13.95
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.
5lq8 PUTATIVE PHOSPHONATE
BINDING PROTEIN FOR
ABC TRANSPORTER

(Prochlorococcus
marinus) 		no annotation 5 TYR A 260
GLY A  64
LEU A  60
ALA A  82
TRP A 208
 None
GB  A 401 (-3.3A)
None
None
None
 1.48A 1e3vA-5lq8A:
undetectable		 1e3vA-5lq8A:
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.
5lq8 PUTATIVE PHOSPHONATE
BINDING PROTEIN FOR
ABC TRANSPORTER

(Prochlorococcus
marinus) 		no annotation 5 TYR A 260
GLY A  68
LEU A  60
ALA A  82
TRP A 208
 None
 1.24A 1e3vA-5lq8A:
undetectable		 1e3vA-5lq8A:
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.
5lst ATP-DEPENDENT DNA
HELICASE Q4

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 PHE A1108
TYR A1107
GLY A1105
PHE A1077
LEU A 676
 None
 0.96A 1e3vA-5lstA:
undetectable		 1e3vA-5lstA:
11.90
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.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 5 PHE A 404
GLY A 419
PHE A 388
VAL A 378
LEU A 382
 None
 1.39A 1e3vA-5m11A:
undetectable		 1e3vA-5m11A:
10.87
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 5 TYR A 152
GLY A 182
VAL A 545
LEU A 575
ALA A 591
 None
 1.42A 1e3vA-5no8A:
undetectable		 1e3vA-5no8A:
10.95
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.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 GLY A 198
PHE A 252
VAL A 250
LEU A 274
ALA A 189
 None
 1.21A 1e3vA-5oe5A:
undetectable		 1e3vA-5oe5A:
16.50
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.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		5 TYR A 235
GLY A  79
PHE A  72
LEU A 130
ALA A 127
 None
 1.38A 1e3vA-5t81A:
undetectable		 1e3vA-5t81A:
12.38
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.
5tz6 CURJ

(Moorea
producens) 		PF14765
(PS-DH) 		5 PHE A1232
GLY A1234
PHE A 978
ASP A1156
ALA A 989
 None
None
7OD  A1301 (-4.5A)
7OD  A1301 (-2.1A)
None
 1.32A 1e3vA-5tz6A:
1.1		 1e3vA-5tz6A:
17.21
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.
5v6n PROTON-GATED ION
CHANNEL

(Gloeobacter
violaceus) 		no annotation 5 TYR C 197
ASP C  32
PHE C 116
TYR C 119
LEU C 157
 None
 1.09A 1e3vA-5v6nC:
undetectable		 1e3vA-5v6nC:
18.71
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.
5xbj FLAGELLAR
HOOK-ASSOCIATED
PROTEIN FLGK

(Campylobacter
jejuni) 		no annotation 5 TYR A 517
GLY A 370
VAL A 361
LEU A 360
ALA A 461
 None
 1.26A 1e3vA-5xbjA:
undetectable		 1e3vA-5xbjA:
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 GLY A 327
PHE A 161
VAL A 364
ASP A 163
ALA A 282
 None
 1.29A 1e3vA-6eu6A:
undetectable		 1e3vA-6eu6A:
undetectable