SIMILAR PATTERNS OF AMINO ACIDS FOR 2CCB_A_RBFA1067_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.
1b24 PROTEIN (I-DMOI)

(Desulfurococcus
mucosus) 		PF14528
(LAGLIDADG_3) 		3 PHE A 109
VAL A 138
TRP A 141
 None
 0.82A 2ccbA-1b24A:
1.0		 2ccbA-1b24A:
12.71
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.
1cia CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		3 PHE A  22
VAL A  13
TRP A  16
 None
 0.54A 2ccbA-1ciaA:
1.0		 2ccbA-1ciaA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e5i DEACETOXYCEPHALOSPOR
IN C SYNTHASE

(Streptomyces
clavuligerus) 		PF03171
(2OG-FeII_Oxy) 		3 PHE A 161
VAL A  51
TRP A 119
 None
 0.90A 2ccbA-1e5iA:
0.0		 2ccbA-1e5iA:
14.77
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.
1eo0 TRANSCRIPTION
ELONGATION FACTOR
S-II

(Saccharomyces
cerevisiae) 		PF08711
(Med26) 		3 PHE A  34
VAL A  65
TRP A  72
 None
 0.83A 2ccbA-1eo0A:
undetectable		 2ccbA-1eo0A:
23.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1eyf ADA REGULATORY
PROTEIN

(Escherichia
coli) 		PF02805
(Ada_Zn_binding) 		3 PHE A  29
VAL A  16
TRP A  13
 None
 0.89A 2ccbA-1eyfA:
undetectable		 2ccbA-1eyfA:
17.98
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.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		3 PHE A 291
VAL A 341
TRP A 344
 None
AMP  A 417 (-3.4A)
None
 0.77A 2ccbA-1hdiA:
undetectable		 2ccbA-1hdiA:
9.60
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.
1px8 BETA-XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum) 		PF01229
(Glyco_hydro_39) 		3 PHE A 102
VAL A 114
TRP A 117
 None
 0.85A 2ccbA-1px8A:
0.0		 2ccbA-1px8A:
9.68
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE BETA
SUBUNIT

(Thauera
aromatica) 		PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		3 PHE B 124
VAL A 687
TRP B 131
 SF4  B1910 ( 4.9A)
None
None
 0.75A 2ccbA-1sb3B:
0.0		 2ccbA-1sb3B:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uqw PUTATIVE BINDING
PROTEIN YLIB

(Escherichia
coli) 		PF00496
(SBP_bac_5) 		3 PHE A 481
VAL A   9
TRP A 197
 None
 0.80A 2ccbA-1uqwA:
undetectable		 2ccbA-1uqwA:
9.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		3 PHE A 412
VAL A 714
TRP A 711
 None
 0.77A 2ccbA-1xpgA:
undetectable		 2ccbA-1xpgA:
7.07
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.
1zx5 MANNOSEPHOSPHATE
ISOMERASE, PUTATIVE

(Archaeoglobus
fulgidus) 		PF01238
(PMI_typeI) 		3 PHE A 195
VAL A 203
TRP A 200
 None
 0.65A 2ccbA-1zx5A:
1.4		 2ccbA-1zx5A:
14.14
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.
2au5 CONSERVED DOMAIN
PROTEIN

(Enterococcus
faecalis) 		PF11472
(DUF3206) 		3 PHE A  28
VAL A  44
TRP A  54
 None
 0.84A 2ccbA-2au5A:
undetectable		 2ccbA-2au5A:
23.36
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.
2bs9 BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF01229
(Glyco_hydro_39) 		3 PHE A 102
VAL A 114
TRP A 117
 None
None
CA  A1503 (-4.3A)
 0.87A 2ccbA-2bs9A:
undetectable		 2ccbA-2bs9A:
9.74
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.
2cit ENDOGLUCANASE H

(Ruminiclostridium
thermocellum) 		PF02156
(Glyco_hydro_26) 		3 PHE A 142
VAL A 150
TRP A 152
 None
 0.72A 2ccbA-2citA:
undetectable		 2ccbA-2citA:
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.
2ctz O-ACETYL-L-HOMOSERIN
E SULFHYDRYLASE

(Thermus
thermophilus) 		PF01053
(Cys_Met_Meta_PP) 		3 PHE A 183
VAL A 367
TRP A 207
 None
 0.87A 2ccbA-2ctzA:
undetectable		 2ccbA-2ctzA:
11.72
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		3 PHE A 677
VAL A 734
TRP A 738
 None
 0.61A 2ccbA-2fgeA:
undetectable		 2ccbA-2fgeA:
5.57
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.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE

(Sus scrofa) 		PF05187
(ETF_QO)
PF13450
(NAD_binding_8) 		3 PHE A 198
VAL A  27
TRP A  24
 None
 0.83A 2ccbA-2gmhA:
undetectable		 2ccbA-2gmhA:
7.77
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.
2hcs RNA-DIRECTED RNA
POLYMERASE (NS5)

(West Nile virus) 		PF00972
(Flavi_NS5) 		3 PHE A 401
VAL A 428
TRP A 434
 None
 0.88A 2ccbA-2hcsA:
0.4		 2ccbA-2hcsA:
9.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hcs RNA-DIRECTED RNA
POLYMERASE (NS5)

(West Nile virus) 		PF00972
(Flavi_NS5) 		3 PHE A 485
VAL A 437
TRP A 434
 None
 0.79A 2ccbA-2hcsA:
0.4		 2ccbA-2hcsA:
9.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hjg GTP-BINDING PROTEIN
ENGA

(Bacillus
subtilis) 		PF01926
(MMR_HSR1)
PF14714
(KH_dom-like) 		3 PHE A 309
VAL A 293
TRP A 296
 None
 0.84A 2ccbA-2hjgA:
undetectable		 2ccbA-2hjgA:
12.66
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.
2hkr AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT

(Alcaligenes
faecalis) 		PF02975
(Me-amine-dh_L) 		3 PHE D 152
VAL D 158
TRP D 160
 None
None
TRQ  D 109 ( 3.4A)
 0.84A 2ccbA-2hkrD:
undetectable		 2ccbA-2hkrD:
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.
2jbm NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Homo sapiens) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		3 PHE A  62
VAL A  73
TRP A  75
 None
 0.80A 2ccbA-2jbmA:
undetectable		 2ccbA-2jbmA:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nzx ALPHA1,3-FUCOSYLTRAN
SFERASE

(Helicobacter
pylori) 		PF00852
(Glyco_transf_10) 		3 PHE A  42
VAL A  30
TRP A  34
 None
 0.85A 2ccbA-2nzxA:
undetectable		 2ccbA-2nzxA:
12.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oy3 MACROPHAGE RECEPTOR
MARCO

(Mus musculus) 		PF00530
(SRCR) 		3 PHE A 458
VAL A 515
TRP A 450
 None
 0.76A 2ccbA-2oy3A:
undetectable		 2ccbA-2oy3A:
19.42
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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		3 PHE A 291
VAL A 341
TRP A 344
 None
ATP  A 500 (-3.9A)
None
 0.75A 2ccbA-2paaA:
undetectable		 2ccbA-2paaA:
9.64
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.
2qkb RIBONUCLEASE H1

(Homo sapiens) 		PF00075
(RNase_H) 		3 PHE A 244
VAL A 222
TRP A 225
 None
 0.86A 2ccbA-2qkbA:
undetectable		 2ccbA-2qkbA:
16.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vkg DODECIN

(Halobacterium
salinarum) 		PF07311
(Dodecin) 		3 PHE A   3
VAL A  35
TRP A  36
 CF4  A1064 ( 4.7A)
CF4  A1064 (-4.5A)
CF4  A1064 (-3.3A)
 0.30A 2ccbA-2vkgA:
13.9		 2ccbA-2vkgA:
95.31
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.
2w6d DYNAMIN FAMILY
PROTEIN

(Nostoc
punctiforme) 		PF00350
(Dynamin_N) 		3 PHE A 385
VAL A 631
TRP A 517
 None
 0.80A 2ccbA-2w6dA:
undetectable		 2ccbA-2w6dA:
7.98
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.
2yma PROTEIN OS-9 HOMOLOG

(Saccharomyces
cerevisiae) 		no annotation 3 PHE A 379
VAL A 354
TRP A 310
 None
 0.85A 2ccbA-2ymaA:
undetectable		 2ccbA-2ymaA:
17.61
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.
2ywm GLUTAREDOXIN-LIKE
PROTEIN

(Aquifex
aeolicus) 		PF13192
(Thioredoxin_3) 		3 PHE A 185
VAL A 194
TRP A 141
 None
 0.90A 2ccbA-2ywmA:
undetectable		 2ccbA-2ywmA:
18.36
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.
2zb4 PROSTAGLANDIN
REDUCTASE 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		3 PHE A  23
VAL A  74
TRP A 103
 None
 0.89A 2ccbA-2zb4A:
undetectable		 2ccbA-2zb4A:
14.10
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.
3cjs RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 3 PHE A  39
VAL A  43
TRP A  51
 None
 0.67A 2ccbA-3cjsA:
undetectable		 2ccbA-3cjsA:
27.63
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.
3cjt RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF06325
(PrmA) 		3 PHE A  39
VAL A  43
TRP A  51
 None
 0.66A 2ccbA-3cjtA:
undetectable		 2ccbA-3cjtA:
16.29
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.
3cqh L-RIBULOSE-5-PHOSPHA
TE 3-EPIMERASE ULAE

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		3 PHE A 232
VAL A 271
TRP A 270
 SO4  A 405 (-4.4A)
None
None
 0.75A 2ccbA-3cqhA:
undetectable		 2ccbA-3cqhA:
13.01
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.
3eja PROTEIN GH61E

(Thielavia
terrestris) 		PF03443
(Glyco_hydro_61) 		3 PHE A 119
VAL A  72
TRP A   4
 None
 0.82A 2ccbA-3ejaA:
undetectable		 2ccbA-3ejaA:
14.42
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.
3g6s PUTATIVE
ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE
FAMILY PROTEIN

(Bacteroides
vulgatus) 		PF03372
(Exo_endo_phos) 		3 PHE A 132
VAL A   4
TRP A   6
 None
 0.90A 2ccbA-3g6sA:
undetectable		 2ccbA-3g6sA:
15.15
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.
3ghg FIBRINOGEN GAMMA
CHAIN

(Homo sapiens) 		PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha) 		3 PHE C 290
VAL C 248
TRP C 369
 PHE  C 290 ( 1.3A)
VAL  C 248 ( 0.6A)
TRP  C 369 ( 0.5A)
 0.87A 2ccbA-3ghgC:
undetectable		 2ccbA-3ghgC:
11.71
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.
3gnn NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Burkholderia
pseudomallei) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		3 PHE A  71
VAL A  84
TRP A  86
 None
 0.73A 2ccbA-3gnnA:
undetectable		 2ccbA-3gnnA:
14.09
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.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 3 PHE A 358
VAL A 172
TRP A 166
 None
 0.73A 2ccbA-3hj4A:
undetectable		 2ccbA-3hj4A:
9.64
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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 3 PHE A 218
VAL A  54
TRP A  42
 None
 0.88A 2ccbA-3hn0A:
undetectable		 2ccbA-3hn0A:
12.37
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.
3hzg THYMIDYLATE SYNTHASE
THYX

(Mycobacterium
tuberculosis) 		PF02511
(Thy1) 		3 PHE A  38
VAL A  23
TRP A  47
 None
 0.86A 2ccbA-3hzgA:
undetectable		 2ccbA-3hzgA:
16.33
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.
3kl0 GLUCURONOXYLANASE
XYNC

(Bacillus
subtilis) 		PF17189
(Glyco_hydro_30C) 		3 PHE A 158
VAL A 137
TRP A 150
 None
 0.90A 2ccbA-3kl0A:
undetectable		 2ccbA-3kl0A:
10.68
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.
3ks7 PUTATIVE PUTATIVE
PNGASE F

(Bacteroides
fragilis) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		3 PHE A 154
VAL A  89
TRP A 188
 None
 0.89A 2ccbA-3ks7A:
undetectable		 2ccbA-3ks7A:
10.34
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.
3l6y CATENIN DELTA-1

(Homo sapiens) 		PF00514
(Arm) 		3 PHE A 654
VAL A 590
TRP A 690
 None
 0.67A 2ccbA-3l6yA:
undetectable		 2ccbA-3l6yA:
8.49
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.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Archaeoglobus
fulgidus) 		PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		3 PHE B 332
VAL B 324
TRP B 323
 None
 0.85A 2ccbA-3mm5B:
undetectable		 2ccbA-3mm5B:
11.57
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.
3mzl PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF12931
(Sec16_C) 		3 PHE B 684
VAL B 644
TRP B 648
 None
 0.89A 2ccbA-3mzlB:
undetectable		 2ccbA-3mzlB:
11.34
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.
3o5a PERIPLASMIC NITRATE
REDUCTASE

(Cupriavidus
necator) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		3 PHE A 518
VAL A 126
TRP A 127
 None
 0.88A 2ccbA-3o5aA:
undetectable		 2ccbA-3o5aA:
6.90
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.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		3 PHE A 449
VAL A 749
TRP A 746
 None
 0.84A 2ccbA-3ppcA:
undetectable		 2ccbA-3ppcA:
6.21
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.
3q5e ATLASTIN-1

(Homo sapiens) 		PF02263
(GBP) 		3 PHE A 235
VAL A 216
TRP A 219
 None
 0.79A 2ccbA-3q5eA:
undetectable		 2ccbA-3q5eA:
7.95
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.
3rlf MALTOSE TRANSPORT
SYSTEM PERMEASE
PROTEIN MALG

(Escherichia
coli) 		PF00528
(BPD_transp_1) 		3 PHE G  79
VAL G 240
TRP G  84
 None
 0.82A 2ccbA-3rlfG:
undetectable		 2ccbA-3rlfG:
14.80
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.
3s8k LATEX SERINE
PROTEINASE INHIBITOR

(Carica papaya) 		PF00197
(Kunitz_legume) 		3 PHE A 139
VAL A  81
TRP A  95
 None
 0.88A 2ccbA-3s8kA:
undetectable		 2ccbA-3s8kA:
19.71
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		3 PHE A 526
VAL A 530
TRP A 485
 None
 0.89A 2ccbA-3zyvA:
undetectable		 2ccbA-3zyvA:
4.55
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.
4aez MITOTIC SPINDLE
CHECKPOINT COMPONENT
MAD3

(Schizosaccharomyces
pombe) 		PF08311
(Mad3_BUB1_I) 		3 PHE C 139
VAL C 108
TRP C 123
 None
 0.89A 2ccbA-4aezC:
undetectable		 2ccbA-4aezC:
14.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b2h DODECIN

(Halobacterium
salinarum) 		PF07311
(Dodecin) 		3 PHE A   3
VAL A  35
TRP A  36
 C3F  A 103 (-4.6A)
C3F  A 103 (-4.1A)
C3F  A 103 (-3.3A)
 0.31A 2ccbA-4b2hA:
13.9		 2ccbA-4b2hA:
95.59
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.
4csw CUPIN 4 FAMILY
PROTEIN

(Rhodothermus
marinus) 		PF08007
(Cupin_4) 		3 PHE A 211
VAL A 111
TRP A  21
 None
 0.72A 2ccbA-4cswA:
undetectable		 2ccbA-4cswA:
11.54
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.
4fie SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF00786
(PBD) 		3 PHE A 324
VAL A 349
TRP A 392
 None
 0.90A 2ccbA-4fieA:
undetectable		 2ccbA-4fieA:
12.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fmv GLUCURONOARABINOXYLA
N
ENDO-1,4-BETA-XYLANA
SE

([Clostridium]
papyrosolvens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		3 PHE A 161
VAL A 140
TRP A 153
 None
 0.88A 2ccbA-4fmvA:
undetectable		 2ccbA-4fmvA:
9.34
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.
4i9a QUINOLINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Sus scrofa) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		3 PHE A  60
VAL A  71
TRP A  73
 None
 0.79A 2ccbA-4i9aA:
undetectable		 2ccbA-4i9aA:
13.78
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.
4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		3 PHE A 181
VAL A 198
TRP A 202
 None
 0.80A 2ccbA-4je5A:
undetectable		 2ccbA-4je5A:
8.38
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 PHE A 401
VAL A 428
TRP A 434
 None
 0.81A 2ccbA-4k6mA:
undetectable		 2ccbA-4k6mA:
6.54
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.
4mtp RNA DEPENDENT RNA
POLYMERASE

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5) 		3 PHE A 401
VAL A 428
TRP A 434
 PHE  A 401 ( 1.3A)
VAL  A 428 ( 0.6A)
TRP  A 434 ( 0.5A)
 0.83A 2ccbA-4mtpA:
undetectable		 2ccbA-4mtpA:
9.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n03 ABC-TYPE
BRANCHED-CHAIN AMINO
ACID TRANSPORT
SYSTEMS PERIPLASMIC
COMPONENT-LIKE
PROTEIN

(Thermomonospora
curvata) 		PF13458
(Peripla_BP_6) 		3 PHE A 294
VAL A 404
TRP A 176
 EDO  A 602 ( 4.5A)
None
None
 0.38A 2ccbA-4n03A:
undetectable		 2ccbA-4n03A:
11.36
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.
4nhw GLUTATHIONE
S-TRANSFERASE

(Sinorhizobium
meliloti) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		3 PHE A 178
VAL A 194
TRP A 197
 None
 0.51A 2ccbA-4nhwA:
undetectable		 2ccbA-4nhwA:
17.43
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 PHE A 316
VAL A 326
TRP A 351
 None
 0.85A 2ccbA-4om9A:
undetectable		 2ccbA-4om9A:
5.35
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		3 PHE A 494
VAL A 261
TRP A  78
 None
 0.78A 2ccbA-4ptfA:
undetectable		 2ccbA-4ptfA:
5.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ptx GLYCOSIDE HYDROLASE
FAMILY 1

(Halothermothrix
orenii) 		PF00232
(Glyco_hydro_1) 		3 PHE A 382
VAL A 442
TRP A 438
 None
 0.63A 2ccbA-4ptxA:
undetectable		 2ccbA-4ptxA:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qaw XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6)
PF17189
(Glyco_hydro_30C) 		3 PHE A 156
VAL A 135
TRP A 148
 None
 0.84A 2ccbA-4qawA:
undetectable		 2ccbA-4qawA:
9.89
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.
4qhb UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF09112
(N-glycanase_N)
PF09113
(N-glycanase_C) 		3 PHE A 155
VAL A  90
TRP A 189
 None
 0.90A 2ccbA-4qhbA:
undetectable		 2ccbA-4qhbA:
11.05
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.
4rph UDP-GALACTOPYRANOSE
MUTASE

(Mycobacterium
tuberculosis) 		no annotation 3 PHE B  67
VAL B  78
TRP B 207
 None
 0.84A 2ccbA-4rphB:
undetectable		 2ccbA-4rphB:
11.56
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.
4tm3 KTZI

(Kutzneria sp.
744) 		PF13434
(K_oxygenase) 		3 PHE A 186
VAL A 341
TRP A 181
 None
 0.90A 2ccbA-4tm3A:
undetectable		 2ccbA-4tm3A:
10.16
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.
4wjb PUTATIVE
AMIDOHYDROLASE/PEPTI
DASE

(Burkholderia
cenocepacia) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 PHE A 148
VAL A 368
TRP A 130
 None
None
EDO  A 506 (-4.2A)
 0.89A 2ccbA-4wjbA:
2.8		 2ccbA-4wjbA:
12.69
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.
4wxp NS3-4 PROTEASE

(Hepacivirus C) 		PF07652
(Flavi_DEAD) 		3 PHE A 444
VAL A 535
TRP A 532
 None
 0.74A 2ccbA-4wxpA:
undetectable		 2ccbA-4wxpA:
9.42
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.
4xbr PROTEIN
FAM212A,SERINE/THREO
NINE-PROTEIN KINASE
PAK 4

(Homo sapiens) 		PF00069
(Pkinase)
PF15342
(FAM212) 		3 PHE A 324
VAL A 349
TRP A 392
 None
 0.85A 2ccbA-4xbrA:
undetectable		 2ccbA-4xbrA:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		3 PHE A1142
VAL A1127
TRP A1130
 None
 0.59A 2ccbA-4zdnA:
undetectable		 2ccbA-4zdnA:
7.35
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.
4ztx COBALAMIN-INDEPENDEN
T METHIONINE
SYNTHASE

(Neurospora
crassa) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		3 PHE A 444
VAL A 747
TRP A 744
 None
 0.86A 2ccbA-4ztxA:
undetectable		 2ccbA-4ztxA:
8.49
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.
5ce6 FACT-SPT16

(Cicer arietinum) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		3 PHE A 190
VAL A 186
TRP A  47
 None
 0.84A 2ccbA-5ce6A:
undetectable		 2ccbA-5ce6A:
12.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvo UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 46

(Homo sapiens) 		PF00443
(UCH) 		3 PHE B  59
VAL B 168
TRP B 167
 None
 0.88A 2ccbA-5cvoB:
undetectable		 2ccbA-5cvoB:
10.42
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.
5ec3 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Homo sapiens) 		PF00903
(Glyoxalase)
PF13669
(Glyoxalase_4) 		3 PHE A 364
VAL A 212
TRP A 210
 PHE  A 364 ( 1.3A)
VAL  A 212 ( 0.6A)
TRP  A 210 ( 0.5A)
 0.85A 2ccbA-5ec3A:
undetectable		 2ccbA-5ec3A:
11.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eqd UDP-GALACTOPYRANOSE
MUTASE

(Mycolicibacterium
smegmatis) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		3 PHE A  76
VAL A  87
TRP A 216
 None
 0.83A 2ccbA-5eqdA:
undetectable		 2ccbA-5eqdA:
10.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gka CAPSID PROTEIN VP0
GENOME POLYPROTEIN

(Aichivirus A) 		PF00073
(Rhv) 		3 PHE C  48
VAL C  42
TRP B  73
 None
 0.73A 2ccbA-5gkaC:
undetectable		 2ccbA-5gkaC:
14.35
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.
5hb3 NUCLEOPORIN NIC96

(Chaetomium
thermophilum) 		PF04097
(Nic96) 		3 PHE A 588
VAL A 558
TRP A 555
 None
 0.88A 2ccbA-5hb3A:
undetectable		 2ccbA-5hb3A:
6.99
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.
5hxz BARBITURASE

(Rhodococcus
erythropolis) 		PF09663
(Amido_AtzD_TrzD) 		3 PHE A  60
VAL A  38
TRP A  82
 None
 0.82A 2ccbA-5hxzA:
2.2		 2ccbA-5hxzA:
10.54
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.
5iq6 RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		3 PHE A 398
VAL A 425
TRP A 431
 None
 0.89A 2ccbA-5iq6A:
undetectable		 2ccbA-5iq6A:
7.81
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.
5ja1 ENTEROBACTIN
BIOSYNTHESIS PROTEIN
YBDZ

(Escherichia
coli) 		PF03621
(MbtH) 		3 PHE B  24
VAL B  40
TRP B  52
 None
 0.72A 2ccbA-5ja1B:
undetectable		 2ccbA-5ja1B:
18.29
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.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 PHE A 398
VAL A 425
TRP A 431
 None
 0.89A 2ccbA-5jjrA:
undetectable		 2ccbA-5jjrA:
5.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5m RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		3 PHE A 483
VAL A 435
TRP A 432
 None
 0.87A 2ccbA-5k5mA:
undetectable		 2ccbA-5k5mA:
12.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ocl ANTI-VGLUT NANOBODY

(Lama glama) 		PF07686
(V-set) 		3 PHE B  39
VAL B 109
TRP B 116
 None
 0.88A 2ccbA-5oclB:
undetectable		 2ccbA-5oclB:
18.80
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.
5oki DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 3 PHE A 494
VAL A 261
TRP A  78
 None
 0.81A 2ccbA-5okiA:
undetectable		 2ccbA-5okiA:
25.00
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 PHE A 484
VAL A 436
TRP A 433
 None
 0.88A 2ccbA-5tmhA:
undetectable		 2ccbA-5tmhA:
6.20
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.
5tu4 PAGF
PRENYLTRANSFERASE

(Planktothrix
agardhii) 		no annotation 3 PHE A 221
VAL A 203
TRP A 204
 None
 0.91A 2ccbA-5tu4A:
undetectable		 2ccbA-5tu4A:
11.33
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.
5u04 ZIKA VIRUS NS5 RDRP

(Zika virus) 		PF00972
(Flavi_NS5) 		3 PHE A 400
VAL A 427
TRP A 433
 None
 0.87A 2ccbA-5u04A:
undetectable		 2ccbA-5u04A:
8.63
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.
5u04 ZIKA VIRUS NS5 RDRP

(Zika virus) 		PF00972
(Flavi_NS5) 		3 PHE A 484
VAL A 436
TRP A 433
 None
 0.74A 2ccbA-5u04A:
undetectable		 2ccbA-5u04A:
8.63
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.
5uuo GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Novosphingobium
aromaticivorans) 		no annotation 3 PHE B 220
VAL B 244
TRP B 247
 None
 0.79A 2ccbA-5uuoB:
undetectable		 2ccbA-5uuoB:
17.33
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.
5vef SERINE/THREONINE-PRO
TEIN KINASE PAK 4

(Homo sapiens) 		no annotation 3 PHE A 324
VAL A 349
TRP A 392
 None
 0.90A 2ccbA-5vefA:
undetectable		 2ccbA-5vefA:
13.67
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.
5vgr ATLASTIN-3

(Homo sapiens) 		PF02263
(GBP)
PF02841
(GBP_C) 		3 PHE A 231
VAL A 212
TRP A 215
 None
 0.69A 2ccbA-5vgrA:
undetectable		 2ccbA-5vgrA:
11.33
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.
5xgz BETA-GLYCOSIDASE

(uncultured
microorganism) 		no annotation 3 PHE A 384
VAL A 443
TRP A 439
 None
 0.62A 2ccbA-5xgzA:
undetectable		 2ccbA-5xgzA:
16.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b9g ATLASTIN-1

(Homo sapiens) 		no annotation 3 PHE B 235
VAL B 216
TRP B 219
 None
 0.80A 2ccbA-6b9gB:
undetectable		 2ccbA-6b9gB:
19.32
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.
6bql CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE KINASE 2

(Homo sapiens) 		no annotation 3 PHE A 293
VAL A 446
TRP A 445
 None
 0.90A 2ccbA-6bqlA:
undetectable		 2ccbA-6bqlA:
18.07
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.
6d6t HUMAN GABA-A
RECEPTOR SUBUNIT
GAMMA-2

(Homo sapiens) 		no annotation 3 PHE E 203
VAL E 190
TRP E 196
 None
 0.88A 2ccbA-6d6tE:
1.5		 2ccbA-6d6tE:
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.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
GAMMA-2,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT GAMMA-2

(Homo sapiens) 		no annotation 3 PHE E 203
VAL E 190
TRP E 196
 None
 0.83A 2ccbA-6d6uE:
1.3		 2ccbA-6d6uE:
22.35