SIMILAR PATTERNS OF AMINO ACIDS FOR 3W9T_B_W9TB501_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.
1dii P-CRESOL
METHYLHYDROXYLASE

(Pseudomonas
putida) 		PF13442
(Cytochrome_CBB3) 		4 SER C 606
GLY C 605
TRP C 604
ASP C 659
 None
 0.92A 3w9tB-1diiC:
undetectable		 3w9tB-1diiC:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f8z LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a) 		4 ASP A  23
SER A  19
GLY A  18
ASP A  33
 CA  A  40 (-3.4A)
None
None
CA  A  40 (-3.5A)
 1.29A 3w9tB-1f8zA:
undetectable		 3w9tB-1f8zA:
7.59
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.
1h71 SERRALYSIN

(Pseudomonas sp.
'TAC II 18') 		PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 ASP P 397
SER P 370
GLY P 369
ASP P 391
 CA  P 501 (-2.6A)
None
CA  P 502 (-4.4A)
None
 1.02A 3w9tB-1h71P:
0.0		 3w9tB-1h71P:
24.02
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.
1hfu LACCASE 1

(Coprinopsis
cinerea) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A  19
SER A  17
TRP A 151
ASP A 166
 None
 1.30A 3w9tB-1hfuA:
0.0		 3w9tB-1hfuA:
22.16
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.
1ize ASPARTIC PROTEINASE

(Aspergillus
oryzae) 		PF00026
(Asp) 		4 SER A 104
GLY A  83
TRP A  40
ASP A  38
 None
 1.15A 3w9tB-1izeA:
0.0		 3w9tB-1izeA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n3y INTEGRIN ALPHA-X

(Homo sapiens) 		PF00092
(VWA) 		4 ASP A 138
SER A 175
GLY A 205
ASP A 240
 None
 1.31A 3w9tB-1n3yA:
undetectable		 3w9tB-1n3yA:
20.10
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.
1n7d LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		4 ASP A 118
SER A 117
GLY A 116
ASP A 110
 CA  A1007 (-2.7A)
None
None
None
 1.46A 3w9tB-1n7dA:
0.0		 3w9tB-1n7dA:
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.
1n7d LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		4 ASP A 514
SER A 496
GLY A 495
TRP A 515
 None
 1.40A 3w9tB-1n7dA:
0.0		 3w9tB-1n7dA:
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.
1pho PHOSPHOPORIN

(Escherichia
coli) 		PF00267
(Porin_1) 		4 ASP A 184
SER A 183
GLY A 183
ASP A 181
 None
 1.26A 3w9tB-1phoA:
undetectable		 3w9tB-1phoA:
20.89
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.
1r3n BETA-ALANINE
SYNTHASE

(Lachancea
kluyveri) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 SER A 171
GLY A 170
TRP A 174
ASP A  91
 None
 1.44A 3w9tB-1r3nA:
0.0		 3w9tB-1r3nA:
19.72
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.
1s4f RNA-DEPENDENT RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		4 SER A 415
GLY A 413
TRP A 349
ASP A 350
 None
 1.16A 3w9tB-1s4fA:
0.0		 3w9tB-1s4fA:
19.67
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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		4 SER A 295
GLY A 158
TRP A 293
ASP A 123
 None
 1.41A 3w9tB-1svvA:
0.0		 3w9tB-1svvA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tex STF0
SULFOTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF09037
(Sulphotransf) 		4 ASP A 130
SER A 126
GLY A 121
ASP A 118
 None
 1.40A 3w9tB-1texA:
undetectable		 3w9tB-1texA:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tzn ANTHRAX TOXIN
RECEPTOR 2

(Homo sapiens) 		PF03495
(Binary_toxB)
PF17475
(Binary_toxB_2)
PF17476
(Binary_toxB_3) 		4 ASP a1050
SER a1086
GLY a1116
ASP a1148
 None
 1.40A 3w9tB-1tzna:
undetectable		 3w9tB-1tzna:
18.66
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.
1um8 ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT CLPX

(Helicobacter
pylori) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 ASP A 269
SER A 248
GLY A 247
ASP A 272
 None
 1.12A 3w9tB-1um8A:
undetectable		 3w9tB-1um8A:
21.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		5 ASP A 256
SER A 258
GLY A 259
TRP A 269
ASP A 272
 CA  A1005 (-2.7A)
None
CA  A1005 (-4.3A)
None
CA  A1005 ( 4.8A)
 0.45A 3w9tB-1vclA:
31.7		 3w9tB-1vclA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		4 ASP A 276
SER A 258
GLY A 259
ASP A 272
 CA  A1005 (-2.9A)
None
CA  A1005 (-4.3A)
CA  A1005 ( 4.8A)
 1.47A 3w9tB-1vclA:
31.7		 3w9tB-1vclA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		4 SER A 216
GLY A 217
TRP A 269
ASP A 256
 None
None
None
CA  A1005 (-2.7A)
 1.46A 3w9tB-1vclA:
31.7		 3w9tB-1vclA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yq2 BETA-GALACTOSIDASE

(Arthrobacter
sp. C2-2) 		PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		4 SER A 789
GLY A 790
TRP A 786
ASP A 784
 None
 1.48A 3w9tB-1yq2A:
undetectable		 3w9tB-1yq2A:
16.37
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.
2cjq RNA-DIRECTED RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		4 SER A 415
GLY A 413
TRP A 349
ASP A 350
 None
 1.16A 3w9tB-2cjqA:
undetectable		 3w9tB-2cjqA:
21.12
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.
2dsj PYRIMIDINE-NUCLEOSID
E (THYMIDINE)
PHOSPHORYLASE

(Thermus
thermophilus) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N)
PF07831
(PYNP_C) 		4 ASP A 198
SER A  83
GLY A  84
ASP A  88
 None
 1.20A 3w9tB-2dsjA:
undetectable		 3w9tB-2dsjA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lbp LEUCINE-BINDING
PROTEIN

(Escherichia
coli) 		PF13458
(Peripla_BP_6) 		4 ASP A 297
SER A 296
GLY A 295
ASP A  42
 None
 1.11A 3w9tB-2lbpA:
undetectable		 3w9tB-2lbpA:
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.
2po2 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 ASP B 208
SER B 210
GLY B 147
ASP B 151
 None
 1.14A 3w9tB-2po2B:
undetectable		 3w9tB-2po2B:
21.23
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.
2qps ALPHA-AMYLASE TYPE A
ISOZYME

(Hordeum vulgare) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		4 ASP A 325
SER A 294
GLY A 293
TRP A 330
 None
 1.49A 3w9tB-2qpsA:
undetectable		 3w9tB-2qpsA:
22.98
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.
2w8i PUTATIVE OUTER
MEMBRANE LIPOPROTEIN
WZA

(Escherichia
coli) 		PF02563
(Poly_export)
PF10531
(SLBB) 		4 SER A 274
GLY A 275
TRP A 210
ASP A 209
 None
 1.22A 3w9tB-2w8iA:
undetectable		 3w9tB-2w8iA:
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.
2x7q POSSIBLE THIAMINE
BIOSYNTHESIS ENZYME

(Candida
albicans) 		PF09084
(NMT1) 		4 ASP A 159
SER A 158
GLY A 157
ASP A  98
 None
 1.36A 3w9tB-2x7qA:
undetectable		 3w9tB-2x7qA:
21.25
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 ASP A 478
SER A 519
GLY A 521
ASP A 366
 None
 1.19A 3w9tB-2yfnA:
undetectable		 3w9tB-2yfnA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ASP A 585
GLY A 589
TRP A 586
ASP A 468
 CA  A2000 ( 4.6A)
None
None
None
 1.20A 3w9tB-3ecqA:
undetectable		 3w9tB-3ecqA:
14.47
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.
3emy TRICHODERMA REESEI
ASPARTIC PROTEASE

(Trichoderma
reesei) 		PF00026
(Asp) 		4 SER A 103
GLY A  82
TRP A  39
ASP A  37
 None
 1.16A 3w9tB-3emyA:
undetectable		 3w9tB-3emyA:
22.25
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.
3eqz RESPONSE REGULATOR

(Colwellia
psychrerythraea) 		PF00072
(Response_reg) 		4 ASP A  52
SER A  80
GLY A  81
ASP A  11
 ASP  A  52 ( 0.6A)
SER  A  80 ( 0.0A)
GLY  A  81 ( 0.0A)
ASP  A  11 ( 0.5A)
 1.26A 3w9tB-3eqzA:
undetectable		 3w9tB-3eqzA:
14.81
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.
3gfv UNCHARACTERIZED ABC
TRANSPORTER
SOLUTE-BINDING
PROTEIN YCLQ

(Bacillus
subtilis) 		PF01497
(Peripla_BP_2) 		4 ASP A  41
SER A 277
GLY A 278
ASP A 135
 None
 1.28A 3w9tB-3gfvA:
undetectable		 3w9tB-3gfvA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hvy CYSTATHIONINE
BETA-LYASE FAMILY
PROTEIN, YNBB
B.SUBTILIS ORTHOLOG

(Clostridium
acetobutylicum) 		PF06838
(Met_gamma_lyase) 		4 ASP A  72
SER A 281
GLY A 280
ASP A  76
 None
 0.94A 3w9tB-3hvyA:
undetectable		 3w9tB-3hvyA:
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.
3i16 ALUMINUM RESISTANCE
PROTEIN

(Clostridium
novyi) 		PF06838
(Met_gamma_lyase) 		4 ASP A  71
SER A 281
GLY A 280
ASP A  75
 None
 0.98A 3w9tB-3i16A:
undetectable		 3w9tB-3i16A:
20.43
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.
3mzs CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME

(Bos taurus) 		PF00067
(p450) 		4 SER A 106
GLY A 107
TRP A 109
ASP A 112
 None
None
HEM  A 500 (-4.4A)
None
 0.99A 3w9tB-3mzsA:
undetectable		 3w9tB-3mzsA:
22.26
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.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 4 ASP A  14
SER A  45
GLY A  44
ASP A  67
 None
SAH  A 300 (-3.1A)
SAH  A 300 (-3.4A)
None
 1.41A 3w9tB-3njrA:
undetectable		 3w9tB-3njrA:
17.87
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.
3pu9 PROTEIN
SERINE/THREONINE
PHOSPHATASE

(Sphaerobacter
thermophilus) 		PF07228
(SpoIIE) 		4 ASP A 211
SER A  47
GLY A  46
ASP A 161
 MG  A 301 (-2.8A)
None
MG  A 302 (-4.1A)
MG  A 301 (-2.5A)
 1.01A 3w9tB-3pu9A:
undetectable		 3w9tB-3pu9A:
18.28
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.
3pxl LACCASE

(Trametes
hirsuta) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A  18
SER A  16
TRP A 151
ASP A 167
 None
 1.43A 3w9tB-3pxlA:
undetectable		 3w9tB-3pxlA:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q13 SPONDIN-1

(Homo sapiens) 		PF06468
(Spond_N) 		4 ASP A 325
SER A 359
GLY A 360
TRP A 326
 CA  A 601 (-2.2A)
None
None
None
 1.49A 3w9tB-3q13A:
undetectable		 3w9tB-3q13A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q2w CADHERIN-2

(Mus musculus) 		PF00028
(Cadherin) 		4 ASP A 420
SER A 427
GLY A 428
ASP A 364
 CA  A 609 (-3.1A)
MAN  A 708 (-1.4A)
MAN  A 709 ( 4.9A)
CA  A 609 (-2.6A)
 1.06A 3w9tB-3q2wA:
undetectable		 3w9tB-3q2wA:
20.69
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.
3ue9 ADENYLOSUCCINATE
SYNTHETASE

(Burkholderia
thailandensis) 		PF00709
(Adenylsucc_synt) 		4 ASP A  31
SER A  67
GLY A  68
ASP A  35
 None
 1.24A 3w9tB-3ue9A:
undetectable		 3w9tB-3ue9A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wh7 BETA-GLUCOSIDASE

(metagenomes) 		PF00232
(Glyco_hydro_1) 		4 SER A 432
GLY A 433
TRP A 435
ASP A 438
 None
 1.08A 3w9tB-3wh7A:
undetectable		 3w9tB-3wh7A:
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.
3zef PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		4 ASP B1485
SER B1483
GLY B1482
TRP B1484
 None
 1.26A 3w9tB-3zefB:
undetectable		 3w9tB-3zefB:
14.50
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.
4czw PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN2

(Neurospora
crassa) 		PF00929
(RNase_T)
PF13423
(UCH_1) 		4 ASP A1009
SER A1007
GLY A1005
ASP A 900
 None
 1.41A 3w9tB-4czwA:
undetectable		 3w9tB-4czwA:
20.18
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.
4e4s TUMOR NECROSIS
FACTOR LIGAND
SUPERFAMILY MEMBER
18

(Ochotona
princeps) 		no annotation 4 SER A  15
GLY A  11
TRP A  17
ASP A  32
 None
 1.45A 3w9tB-4e4sA:
undetectable		 3w9tB-4e4sA:
13.02
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.
4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY

(Danio rerio;
Escherichia
coli) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		4 ASP A 432
SER A 433
GLY A 434
ASP A 380
 None
 1.36A 3w9tB-4irlA:
undetectable		 3w9tB-4irlA:
21.29
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.
4izx RICIN B-LIKE LECTIN

(Macrolepiota
procera) 		PF14200
(RicinB_lectin_2) 		4 ASP A 109
SER A 111
GLY A 112
TRP A 125
 None
 0.68A 3w9tB-4izxA:
16.5		 3w9tB-4izxA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kk7 ESX-1 SECRETION
SYSTEM PROTEIN ECCB1

(Mycobacterium
tuberculosis) 		PF05108
(T7SS_ESX1_EccB) 		4 ASP A 179
SER A 363
GLY A 364
ASP A 175
 NI  A 502 (-2.4A)
None
None
TRS  A 505 (-2.8A)
 1.31A 3w9tB-4kk7A:
undetectable		 3w9tB-4kk7A:
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.
4qpj CELL CYCLE RESPONSE
REGULATOR CTRA

(Brucella
abortus) 		PF00072
(Response_reg) 		4 ASP C  51
SER C  79
GLY C  80
ASP C   9
 None
 1.22A 3w9tB-4qpjC:
undetectable		 3w9tB-4qpjC:
14.52
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.
4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN

(Nitratireductor
pacificus) 		PF12838
(Fer4_7)
PF13486
(Dehalogenase) 		4 ASP A 415
SER A 418
TRP A 614
ASP A 616
 None
B12  A 803 ( 4.6A)
None
None
 1.44A 3w9tB-4rasA:
undetectable		 3w9tB-4rasA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tz5 PUTATIVE SECRETED
PROTEIN

(Streptomyces
sp. SirexAA-E) 		no annotation 4 ASP A 204
SER A 224
GLY A 289
TRP A 292
 None
 1.23A 3w9tB-4tz5A:
undetectable		 3w9tB-4tz5A:
24.42
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.
4uoz BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C) 		4 SER A 614
GLY A 612
TRP A 448
ASP A 447
 None
 1.42A 3w9tB-4uozA:
undetectable		 3w9tB-4uozA:
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.
4x57 MEMBRANE-ANCHORED
UBIQUITIN-FOLD
PROTEIN 3
UBIQUITIN-CONJUGATIN
G ENZYME E2 8

(Arabidopsis
thaliana) 		PF00179
(UQ_con)
PF13881
(Rad60-SLD_2) 		4 ASP B  18
SER B  17
GLY B  16
ASP A  16
 None
 1.35A 3w9tB-4x57B:
undetectable		 3w9tB-4x57B:
15.51
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.
5a29 EXOPOLYGALACTURONATE
LYASE

(Vibrio
vulnificus) 		PF06917
(Pectate_lyase_2) 		4 ASP A 514
SER A 542
GLY A 543
ASP A  55
 EDO  A1572 ( 4.7A)
None
None
None
 1.29A 3w9tB-5a29A:
undetectable		 3w9tB-5a29A:
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ASP A 585
GLY A 589
TRP A 586
ASP A 468
 CA  A2419 ( 4.7A)
None
None
None
 1.30A 3w9tB-5a55A:
undetectable		 3w9tB-5a55A:
17.44
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.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 ASP A  87
SER A 421
GLY A 420
ASP A  91
 None
TPP  A 700 ( 4.2A)
FAD  A 701 (-3.7A)
FAD  A 701 ( 4.8A)
 1.39A 3w9tB-5ahkA:
undetectable		 3w9tB-5ahkA:
20.85
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.
5b47 2-OXOACID--FERREDOXI
N OXIDOREDUCTASE
BETA SUBUNIT

(Sulfurisphaera
tokodaii) 		PF02775
(TPP_enzyme_C)
PF12367
(PFO_beta_C) 		4 SER B  47
GLY B  48
TRP B  11
ASP B  10
 TPP  B 402 (-3.0A)
None
None
None
 1.13A 3w9tB-5b47B:
undetectable		 3w9tB-5b47B:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c04 PUTATIVE
PEROXIREDOXIN MT2298

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		4 ASP A  50
SER A  84
GLY A  85
ASP A  54
 None
 1.18A 3w9tB-5c04A:
undetectable		 3w9tB-5c04A:
17.10
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.
5c2w HYPOTHETICAL (DI
HEME) PROTEIN

(Candidatus
Kuenenia
stuttgartiensis) 		PF00034
(Cytochrom_C) 		4 SER C  99
GLY C  98
TRP C  94
ASP C  91
 None
 1.20A 3w9tB-5c2wC:
undetectable		 3w9tB-5c2wC:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvw BIFUNCTIONAL
HEMOLYSIN/ADENYLATE
CYCLASE

(Bordetella
pertussis) 		PF00353
(HemolysinCabind)
PF06594
(HCBP_related) 		4 ASP A1570
SER A1569
GLY A1586
ASP A1566
 CA  A1705 ( 2.5A)
None
CA  A1706 (-4.3A)
None
 1.48A 3w9tB-5cvwA:
undetectable		 3w9tB-5cvwA:
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.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 4 ASP C 229
SER C 227
GLY C 241
ASP C 238
 None
 1.42A 3w9tB-5elpC:
undetectable		 3w9tB-5elpC:
18.55
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.
5fic SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		4 ASP A 221
SER A 229
GLY A 228
ASP A 127
 None
 1.28A 3w9tB-5ficA:
undetectable		 3w9tB-5ficA:
21.38
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 ASP C 399
SER C 398
GLY C 397
ASP C  26
 None
 1.46A 3w9tB-5fseC:
undetectable		 3w9tB-5fseC:
21.25
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		4 SER A 108
GLY A  87
TRP A  42
ASP A  40
 None
 1.16A 3w9tB-5hctA:
0.0		 3w9tB-5hctA:
22.86
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.
5juh ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		PF08548
(Peptidase_M10_C) 		4 ASP A  73
SER A  48
GLY A  47
ASP A  67
 CA  A 206 (-2.6A)
None
CA  A 207 (-4.3A)
None
 1.07A 3w9tB-5juhA:
undetectable		 3w9tB-5juhA:
17.85
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 SER A 330
GLY A 331
TRP A 332
ASP A 300
 None
 1.39A 3w9tB-5kf7A:
undetectable		 3w9tB-5kf7A:
15.98
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.
5m2o GROUP I DOCKERIN
PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin)
no annotation 		4 ASP B  41
SER B  40
GLY A 126
ASP B  30
 CA  B 201 (-2.2A)
None
None
CA  B 201 (-3.2A)
 1.45A 3w9tB-5m2oB:
undetectable		 3w9tB-5m2oB:
11.29
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.
5m2s DOC8: TYPE I
DOCKERIN REPEAT
DOMAIN FROM FAMILY 9
GLYCOSIDE HYDROLASE
WP_009982745[RUMINOC
OCCUS FLAVEFACIENS]
PUTATIVE
CELLULOSOMAL
SCAFFOLDIN PROTEIN

(Ruminococcus
flavefaciens) 		no annotation 4 ASP B  41
SER B  40
GLY A 126
ASP B  30
 CA  B 202 (-2.1A)
None
None
CA  B 202 (-3.2A)
 1.48A 3w9tB-5m2sB:
undetectable		 3w9tB-5m2sB:
12.44
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.
5mew LACCASE 2

(Steccherinum
murashkinskyi) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A  19
SER A  17
TRP A 152
ASP A 169
 None
 1.49A 3w9tB-5mewA:
undetectable		 3w9tB-5mewA:
22.16
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.
5p60 ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		4 SER A 108
GLY A  87
TRP A  42
ASP A  40
 None
 1.15A 3w9tB-5p60A:
undetectable		 3w9tB-5p60A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t1p ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		4 ASP A  65
SER A  64
TRP A  52
ASP A  43
 None
 1.48A 3w9tB-5t1pA:
undetectable		 3w9tB-5t1pA:
21.09
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.
5t4y SUSC HOMOLOG

(Bacteroides
thetaiotaomicron) 		no annotation 4 ASP D 696
SER D 707
GLY D 706
ASP D 615
 None
 1.33A 3w9tB-5t4yD:
1.2		 3w9tB-5t4yD:
17.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 4 ASP A 844
SER A 839
GLY A 838
ASP A 846
 None
 1.19A 3w9tB-5vanA:
undetectable		 3w9tB-5vanA:
9.95
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.
5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1

(Homo sapiens) 		PF00005
(ABC_tran)
PF12698
(ABC2_membrane_3) 		4 ASP A 575
GLY A 577
TRP A 574
ASP A 571
 None
 1.19A 3w9tB-5xjyA:
undetectable		 3w9tB-5xjyA:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 4 SER A 415
GLY A 413
TRP A 349
ASP A 350
 None
None
None
GOL  A 732 (-4.1A)
 1.21A 3w9tB-5y6rA:
undetectable		 3w9tB-5y6rA:
10.38
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 4 ASP A 196
SER A 197
GLY A 198
ASP A 154
 None
 1.22A 3w9tB-6c93A:
undetectable		 3w9tB-6c93A:
9.47
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.
6ehs HYDROGENASE-2 LARGE
CHAIN

(Escherichia
coli) 		no annotation 4 ASP L 354
SER L 357
GLY L 360
TRP L 335
 None
 1.10A 3w9tB-6ehsL:
undetectable		 3w9tB-6ehsL:
9.37
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.
6emg G0S4M2

(Chaetomium
thermophilum) 		no annotation 4 SER A 123
GLY A 121
TRP A  79
ASP A  76
 None
 1.43A 3w9tB-6emgA:
undetectable		 3w9tB-6emgA:
10.89
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.
6epd PROTEASOME SUBUNIT
BETA TYPE-4

(Rattus
norvegicus) 		no annotation 4 SER 7  98
GLY 7  99
TRP 7 135
ASP 7 170
 None
 1.35A 3w9tB-6epd7:
undetectable		 3w9tB-6epd7:
11.24