SIMILAR PATTERNS OF AMINO ACIDS FOR 2A3B_B_CFFB2434

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.
1a2v METHYLAMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		4 GLU A 651
ASP A 285
PHE A 648
ARG A 290
 None
 1.42A 2a3bB-1a2vA:
undetectable		 2a3bB-1a2vA:
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.
1bhg BETA-GLUCURONIDASE

(Homo sapiens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 GLU A 352
TYR A 388
ASP A 369
PHE A 589
 None
 1.36A 2a3bB-1bhgA:
14.0		 2a3bB-1bhgA:
23.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		4 GLU A 171
TYR A 172
ASP A 240
ARG A 295
 None
 0.49A 2a3bB-1d2kA:
65.4		 2a3bB-1d2kA:
59.82
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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		4 GLU A 323
TYR A 319
ASP A 282
ARG A 237
 None
 1.05A 2a3bB-1fcuA:
4.3		 2a3bB-1fcuA:
21.77
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.
1h09 LYSOZYME

(Streptococcus
virus Cp1) 		PF01183
(Glyco_hydro_25)
PF01473
(CW_binding_1) 		4 TYR A 127
ASP A  95
PHE A  61
ARG A  63
 None
 1.48A 2a3bB-1h09A:
5.2		 2a3bB-1h09A:
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.
1hm6 ANNEXIN 1

(Sus scrofa) 		PF00191
(Annexin) 		4 GLU A  49
ASP A  47
PHE A  42
ARG A  72
 None
 1.46A 2a3bB-1hm6A:
undetectable		 2a3bB-1hm6A:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		4 GLU A 443
TYR A 291
PHE A 476
ARG A 474
 None
 1.50A 2a3bB-1iduA:
undetectable		 2a3bB-1iduA:
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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		4 GLU A  33
ASP A  98
PHE A  16
ARG A  14
 None
 1.43A 2a3bB-1j3bA:
undetectable		 2a3bB-1j3bA:
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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		4 GLU A 121
ASP A  98
PHE A  16
ARG A  14
 None
 1.34A 2a3bB-1j3bA:
undetectable		 2a3bB-1j3bA:
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.
1m7s CATALASE

(Pseudomonas
syringae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 GLU A 462
ASP A 181
PHE A 185
ARG A 184
 None
 1.44A 2a3bB-1m7sA:
undetectable		 2a3bB-1m7sA:
23.63
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.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 GLU A 151
TYR A 155
ASP A 109
ARG A  57
 None
 0.93A 2a3bB-1rw9A:
undetectable		 2a3bB-1rw9A:
20.52
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.
1t61 TYPE IV COLLAGEN

(Bos taurus) 		PF01413
(C4) 		4 GLU A 175
TYR A  81
ASP A  78
PHE A  62
 None
None
CL  A 810 (-4.9A)
None
 1.49A 2a3bB-1t61A:
undetectable		 2a3bB-1t61A:
17.01
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.
1w45 ANNEXIN A8

(Homo sapiens) 		PF00191
(Annexin) 		4 GLU A  28
ASP A  26
PHE A  21
ARG A  51
 None
 1.19A 2a3bB-1w45A:
undetectable		 2a3bB-1w45A:
21.16
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.
1w7p VPS22, YPL002C

(Saccharomyces
cerevisiae) 		PF04157
(EAP30) 		4 GLU A 120
ASP A 133
PHE A  91
ARG A  61
 None
 1.29A 2a3bB-1w7pA:
undetectable		 2a3bB-1w7pA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		4 GLU A  38
ASP A  47
PHE A 579
ARG A  49
 None
 1.12A 2a3bB-1wacA:
undetectable		 2a3bB-1wacA:
21.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wno CHITINASE

(Aspergillus
fumigatus) 		PF00704
(Glyco_hydro_18) 		5 GLU A 139
TYR A 140
ASP A 208
PHE A 213
ARG A 263
 None
 0.72A 2a3bB-1wnoA:
69.9		 2a3bB-1wnoA:
99.75
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.
1wy0 GERANYLGERANYL
PYROPHOSPHATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00348
(polyprenyl_synt) 		4 GLU A 331
ASP A 329
PHE A  52
ARG A  10
 None
 1.33A 2a3bB-1wy0A:
undetectable		 2a3bB-1wy0A:
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.
1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		4 GLU A 310
TYR A 307
ASP A 314
ARG A 316
 None
 1.50A 2a3bB-1y4cA:
undetectable		 2a3bB-1y4cA:
20.79
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.
1ykw RUBISCO-LIKE PROTEIN

(Chlorobaculum
tepidum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 GLU A 201
ASP A 199
PHE A 182
ARG A 214
 None
 1.44A 2a3bB-1ykwA:
6.2		 2a3bB-1ykwA:
24.35
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.
2b61 HOMOSERINE
O-ACETYLTRANSFERASE

(Haemophilus
influenzae) 		PF00561
(Abhydrolase_1) 		4 GLU A 348
TYR A 344
ASP A  76
PHE A  82
 None
 1.31A 2a3bB-2b61A:
undetectable		 2a3bB-2b61A:
22.72
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.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 GLU A 178
TYR A 174
ASP A 238
ARG A 242
 None
 1.46A 2a3bB-2hlpA:
undetectable		 2a3bB-2hlpA:
22.10
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.
2iwa GLUTAMINE
CYCLOTRANSFERASE

(Carica papaya) 		PF05096
(Glu_cyclase_2) 		4 GLU A  52
ASP A 236
PHE A 243
ARG A 241
 NAG  A 502 (-3.8A)
None
None
None
 1.39A 2a3bB-2iwaA:
undetectable		 2a3bB-2iwaA:
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.
2nql ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 362
ASP A 359
PHE A 347
ARG A 351
 None
 1.16A 2a3bB-2nqlA:
4.3		 2a3bB-2nqlA:
22.55
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.
3bex TYPE III
PANTOTHENATE KINASE

(Thermotoga
maritima) 		PF03309
(Pan_kinase) 		4 GLU A 116
TYR A 117
ASP A 233
ARG A  25
 None
 1.45A 2a3bB-3bexA:
undetectable		 2a3bB-3bexA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		4 GLU A 138
ASP A 136
PHE A  95
ARG A  94
 None
 1.22A 2a3bB-3dfiA:
undetectable		 2a3bB-3dfiA:
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.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1

(Escherichia
coli;
Gallus gallus) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		4 GLU A1255
ASP A1259
PHE A1324
ARG A1328
 A3P  A 673 ( 4.5A)
None
None
None
 1.29A 2a3bB-3f5fA:
undetectable		 2a3bB-3f5fA:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		4 GLU A 174
TYR A 175
ASP A 243
ARG A 298
 None
 0.84A 2a3bB-3g6lA:
63.7		 2a3bB-3g6lA:
54.52
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.
3grf ORNITHINE
CARBAMOYLTRANSFERASE

(Giardia
intestinalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 GLU A 187
ASP A 235
PHE A 148
ARG A 275
 None
 1.16A 2a3bB-3grfA:
undetectable		 2a3bB-3grfA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4g SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN BF1063

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TRP A 474
TYR A 157
ASP A 475
ARG A 462
 None
 1.42A 2a3bB-3i4gA:
undetectable		 2a3bB-3i4gA:
23.56
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.
3iuk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF05960
(DUF885) 		4 GLU A 465
ASP A 234
PHE A 501
ARG A 163
 None
 1.40A 2a3bB-3iukA:
undetectable		 2a3bB-3iukA:
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.
3n9u CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 7

(Homo sapiens) 		PF00076
(RRM_1) 		4 GLU C 153
ASP C 156
PHE C 168
ARG C 158
 None
 1.38A 2a3bB-3n9uC:
undetectable		 2a3bB-3n9uC:
16.08
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.
3nur AMIDOHYDROLASE

(Staphylococcus
aureus) 		PF04909
(Amidohydro_2) 		4 GLU A 256
ASP A 227
PHE A 169
ARG A 164
 None
 1.37A 2a3bB-3nurA:
4.9		 2a3bB-3nurA:
21.59
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.
3ppu GLUTATHIONE-S-TRANSF
ERASE

(Phanerochaete
chrysosporium) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 GLU A 235
TYR A 234
PHE A 242
ARG A 290
 None
 1.41A 2a3bB-3ppuA:
undetectable		 2a3bB-3ppuA:
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.
3py7 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PAXILLIN
LD1,PROTEIN E6
CHIMERA

(Deltapapillomavirus
4;
Escherichia
coli;
Homo sapiens) 		PF00518
(E6)
PF01547
(SBP_bac_1) 		4 GLU A 311
TYR A 308
ASP A 315
ARG A 317
 None
 1.46A 2a3bB-3py7A:
undetectable		 2a3bB-3py7A:
20.79
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.
3sz4 EXONUCLEASE

(Laribacter
hongkongensis) 		PF09588
(YqaJ) 		4 GLU A  78
TYR A 165
ASP A 151
ARG A 169
 None
 1.43A 2a3bB-3sz4A:
undetectable		 2a3bB-3sz4A:
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.
3ta7 ATP-DEPENDENT DNA
LIGASE, N-TERMINAL
DOMAIN PROTEIN

(Candidatus
Korarchaeum
cryptofilum) 		PF13298
(LigD_N) 		4 TRP A  75
GLU A   8
ASP A  76
PHE A   4
 None
 1.42A 2a3bB-3ta7A:
undetectable		 2a3bB-3ta7A:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v75 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Streptomyces
avermitilis) 		PF00215
(OMPdecase) 		4 GLU A   4
ASP A 123
PHE A 121
ARG A  87
 None
 1.33A 2a3bB-3v75A:
9.4		 2a3bB-3v75A:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vf1 11R-LIPOXYGENASE

(Gersemia
fruticosa) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 GLU A 249
ASP A 364
PHE A 242
ARG A 361
 None
 1.16A 2a3bB-3vf1A:
undetectable		 2a3bB-3vf1A:
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.
3vmw PECTATE LYASE

(Bacillus sp.
N16-5) 		PF00544
(Pec_lyase_C) 		4 GLU A 163
TYR A 164
ASP A 215
ARG A 238
 None
None
None
SO4  A 905 (-3.1A)
 1.50A 2a3bB-3vmwA:
undetectable		 2a3bB-3vmwA:
22.05
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.
3wyh LYSOZYME G

(Struthio
camelus) 		PF01464
(SLT) 		4 GLU A  73
TYR A 147
ASP A  97
ARG A  99
 TAM  A 201 (-2.9A)
P6G  A 202 ( 3.5A)
TAM  A 201 ( 3.4A)
None
 1.41A 2a3bB-3wyhA:
undetectable		 2a3bB-3wyhA:
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.
4a5q CHI1

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		4 GLU A 256
TYR A 257
ASP A 326
ARG A 381
 None
 0.82A 2a3bB-4a5qA:
12.2		 2a3bB-4a5qA:
25.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 GLU A 646
ASP A 641
PHE A 327
ARG A 329
 None
 1.08A 2a3bB-4c30A:
undetectable		 2a3bB-4c30A:
22.41
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.
4c30 DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 GLU A 649
ASP A 641
PHE A 327
ARG A 329
 None
 1.33A 2a3bB-4c30A:
undetectable		 2a3bB-4c30A:
22.41
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.
4eqy ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Burkholderia
thailandensis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		4 TYR A 220
ASP A 177
PHE A 253
ARG A 161
 None
 1.18A 2a3bB-4eqyA:
undetectable		 2a3bB-4eqyA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fd2 CHAPERONE PROTEIN
CLPB

(Thermus
thermophilus) 		PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		4 GLU A 565
TYR A 725
ASP A 572
ARG A 575
 None
 1.34A 2a3bB-4fd2A:
undetectable		 2a3bB-4fd2A:
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.
4fdu PUTATIVE MULTIPLE
INOSITOL
POLYPHOSPHATE
HISTIDINE
PHOSPHATASE 1

(Bacteroides
thetaiotaomicron) 		PF00328
(His_Phos_2) 		4 GLU A 196
ASP A 186
PHE A 185
ARG A 183
 None
None
IHS  A 501 ( 4.9A)
IHS  A 501 (-3.1A)
 1.39A 2a3bB-4fduA:
undetectable		 2a3bB-4fduA:
22.39
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.
4inq OXYSTEROL-BINDING
PROTEIN HOMOLOG 3

(Saccharomyces
cerevisiae) 		PF01237
(Oxysterol_BP) 		4 GLU A 741
TYR A 962
ASP A 919
ARG A 921
 None
 1.48A 2a3bB-4inqA:
undetectable		 2a3bB-4inqA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mzv EPITHELIAL CELL
ADHESION MOLECULE

(Homo sapiens) 		PF00086
(Thyroglobulin_1) 		4 GLU A 223
ASP A 219
PHE A 226
ARG A 173
 None
None
None
DMU  A 301 (-4.0A)
 1.46A 2a3bB-4mzvA:
undetectable		 2a3bB-4mzvA:
17.97
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.
4n0l PREDICTED COMPONENT
OF A
THERMOPHILE-SPECIFIC
DNA REPAIR SYSTEM,
CONTAINS A RAMP
DOMAIN

(Methanopyrus
kandleri) 		PF03787
(RAMPs) 		4 GLU A 295
ASP A 297
PHE A 292
ARG A 321
 None
 1.37A 2a3bB-4n0lA:
undetectable		 2a3bB-4n0lA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nmi ECTD

(Virgibacillus
salexigens) 		PF05721
(PhyH) 		4 TYR A 103
ASP A 110
PHE A  55
ARG A 112
 None
 1.44A 2a3bB-4nmiA:
undetectable		 2a3bB-4nmiA:
20.86
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.
4ofd KIN OF IRRE-LIKE
PROTEIN 1

(Mus musculus) 		PF07679
(I-set)
PF08205
(C2-set_2) 		4 GLU A 192
ASP A 197
PHE A 202
ARG A 162
 None
 1.29A 2a3bB-4ofdA:
undetectable		 2a3bB-4ofdA:
19.86
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.
4psp ALPHA-FUCOSIDASE
GH29

(Fusarium
graminearum) 		PF01120
(Alpha_L_fucos)
PF16757
(Fucosidase_C) 		4 GLU A 531
ASP A 525
PHE A 556
ARG A 557
 None
NAG  A 601 ( 4.9A)
None
NAG  A 601 (-3.1A)
 1.39A 2a3bB-4pspA:
9.7		 2a3bB-4pspA:
21.78
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.
4tum ANKYRIN REPEAT
DOMAIN-CONTAINING
PROTEIN 2

(Arabidopsis
thaliana) 		PF13637
(Ank_4) 		4 GLU A 219
ASP A 248
PHE A 257
ARG A 252
 None
 1.41A 2a3bB-4tumA:
undetectable		 2a3bB-4tumA:
17.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 4 GLU B 183
TYR B 184
ASP B 251
ARG B 307
 None
None
MLI  B 501 ( 4.7A)
None
 0.74A 2a3bB-4w5uB:
44.4		 2a3bB-4w5uB:
32.60
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.
4xhp PARM HYBRID FUSION
PROTEIN

(Bacillus
thuringiensis) 		no annotation 4 GLU A  71
ASP A  69
PHE A  36
ARG A 140
 None
 1.08A 2a3bB-4xhpA:
undetectable		 2a3bB-4xhpA:
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.
4zas CALS13

(Micromonospora
echinospora) 		PF01041
(DegT_DnrJ_EryC1) 		4 GLU A 285
ASP A 283
PHE A 305
ARG A 297
 None
 1.38A 2a3bB-4zasA:
undetectable		 2a3bB-4zasA:
22.15
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.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		4 GLU A 110
TYR A  64
ASP A 105
PHE A 158
 None
 1.47A 2a3bB-4zfmA:
12.2		 2a3bB-4zfmA:
21.90
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.
4zgc KELCH PROTEIN

(Plasmodium
falciparum) 		PF01344
(Kelch_1)
PF02214
(BTB_2)
PF13418
(Kelch_4) 		4 GLU A 431
TYR A 435
ASP A 397
PHE A 395
 None
None
None
UNX  A 809 ( 3.8A)
 1.35A 2a3bB-4zgcA:
undetectable		 2a3bB-4zgcA:
21.81
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.
5ck0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 GLU A 590
ASP A  75
PHE A 584
ARG A 570
 None
 1.27A 2a3bB-5ck0A:
undetectable		 2a3bB-5ck0A:
22.07
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.
5dfm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TELOMERASE-A
SSOCIATED PROTEIN 19

(Escherichia
coli;
Tetrahymena
thermophila) 		PF13416
(SBP_bac_8) 		4 GLU A 310
TYR A 307
ASP A 314
ARG A 316
 None
 1.41A 2a3bB-5dfmA:
undetectable		 2a3bB-5dfmA:
21.39
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.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE

(Cupriavidus
metallidurans) 		PF13231
(PMT_2) 		4 GLU A  61
TYR A  77
ASP A 487
ARG A 562
 None
 1.25A 2a3bB-5f15A:
undetectable		 2a3bB-5f15A:
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 GLU A1095
ASP A1090
PHE A 998
ARG A1074
 None
 1.23A 2a3bB-5fqdA:
undetectable		 2a3bB-5fqdA:
19.39
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		4 GLU A 195
ASP A 301
PHE A 305
ARG A 303
 None
 1.19A 2a3bB-5gooA:
undetectable		 2a3bB-5gooA:
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 GLU A1177
TYR A1178
ASP A1253
ARG A1306
 None
 0.80A 2a3bB-5gzuA:
41.2		 2a3bB-5gzuA:
20.29
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.
5h4v GLUTAMATE--TRNA
LIGASE

(Xanthomonas
oryzae) 		no annotation 4 TRP A 190
TYR A 214
ASP A 191
ARG A  81
 None
 1.49A 2a3bB-5h4vA:
undetectable		 2a3bB-5h4vA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ho9 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 TYR A 253
ASP A 288
PHE A 233
ARG A 218
 None
 1.44A 2a3bB-5ho9A:
undetectable		 2a3bB-5ho9A:
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.
5hp6 EXTRACELLULAR
ARABINANASE

(Geobacillus
stearothermophilus) 		PF04616
(Glyco_hydro_43)
PF13385
(Laminin_G_3)
PF16369
(GH43_C) 		4 TYR A 253
ASP A 288
PHE A 233
ARG A 218
 None
 1.45A 2a3bB-5hp6A:
undetectable		 2a3bB-5hp6A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 GLU A1176
ASP A1171
PHE A1091
ARG A1160
 None
 1.19A 2a3bB-5hy7A:
undetectable		 2a3bB-5hy7A:
16.82
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.
5jip CORTICAL-LYTIC
ENZYME

(Clostridium
perfringens) 		PF01183
(Glyco_hydro_25) 		4 GLU A 115
TYR A 149
ASP A 206
ARG A 182
 MES  A 401 ( 2.7A)
MES  A 401 ( 2.6A)
None
None
 1.02A 2a3bB-5jipA:
9.8		 2a3bB-5jipA:
24.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l2r FUMARATE HYDRATASE

(Leishmania
major) 		PF05681
(Fumerase)
PF05683
(Fumerase_C) 		4 GLU A 367
TYR A 373
ASP A  93
ARG A 279
 None
 1.21A 2a3bB-5l2rA:
undetectable		 2a3bB-5l2rA:
23.21
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.
5l56 PLEXIN-A1

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		4 GLU A 352
TYR A 307
ASP A 427
PHE A 425
 None
 1.37A 2a3bB-5l56A:
undetectable		 2a3bB-5l56A:
15.85
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.
5o3m PROTOCATECHUATE
DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF01977
(UbiD) 		4 GLU A 268
ASP A 178
PHE A 129
ARG A 177
 None
 1.11A 2a3bB-5o3mA:
undetectable		 2a3bB-5o3mA:
21.74
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.
5o8o MITOCHONDRIAL IMPORT
RECEPTOR SUBUNIT
TOM40

(Neurospora
crassa) 		PF01459
(Porin_3) 		4 TYR A 179
ASP A 154
PHE A  29
ARG A  33
 None
 1.16A 2a3bB-5o8oA:
undetectable		 2a3bB-5o8oA:
22.29
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.
5o8r L-LYSINE
6-MONOOXYGENASE
INVOLVED IN
DESFERRIOXAMINE
BIOSYNTHESIS

(Erwinia
amylovora) 		no annotation 4 TYR A 179
ASP A 211
PHE A 215
ARG A 214
 None
 1.20A 2a3bB-5o8rA:
undetectable		 2a3bB-5o8rA:
9.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tj2 SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,GASDERMIN-B
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF04598
(Gasdermin)
PF13416
(SBP_bac_8) 		4 GLU A 310
TYR A 307
ASP A 314
ARG A 316
 None
 1.48A 2a3bB-5tj2A:
undetectable		 2a3bB-5tj2A:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vcs ALPHA-1,6-MANNOSYL-G
LYCOPROTEIN
2-BETA-N-ACETYLGLUCO
SAMINYLTRANSFERASE

(Homo sapiens) 		no annotation 4 TYR A 443
ASP A 436
PHE A 188
ARG A 223
 None
 1.14A 2a3bB-5vcsA:
undetectable		 2a3bB-5vcsA:
12.50
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.
5xmm MHC CLASS I ANTIGEN
ALPHA CHAIN

(Felis catus) 		no annotation 4 TRP A 148
ASP A 117
PHE A  75
ARG A  98
 None
 1.34A 2a3bB-5xmmA:
undetectable		 2a3bB-5xmmA:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6arr ACETYL-COA
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		no annotation 4 GLU A 224
TYR A 187
PHE A 199
ARG A  14
 CS  A 402 ( 4.4A)
None
None
None
 1.49A 2a3bB-6arrA:
undetectable		 2a3bB-6arrA:
11.64
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.
6cnj NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2

(Homo sapiens) 		no annotation 4 GLU B 133
ASP B 140
PHE B 137
ARG B 207
 None
 1.48A 2a3bB-6cnjB:
undetectable		 2a3bB-6cnjB:
11.97