SIMILAR PATTERNS OF AMINO ACIDS FOR 1PCG_B_ESTB2

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.
1cj2 PROTEIN
(P-HYDROXYBENZOATE
HYDROXYLASE)

(Pseudomonas
fluorescens) 		PF01494
(FAD_binding_3) 		5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
LEU A 109
 None
 1.45A 1pcgB-1cj2A:
undetectable		 1pcgB-1cj2A:
20.98
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.
1cw0 PROTEIN (DNA
MISMATCH
ENDONUCLEASE)

(Escherichia
coli) 		PF03852
(Vsr) 		5 LEU A 134
ALA A 129
LEU A 125
LEU A 119
ARG A  27
 None
 1.42A 1pcgB-1cw0A:
undetectable		 1pcgB-1cw0A:
22.45
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.
1dcq PYK2-ASSOCIATED
PROTEIN BETA

(Mus musculus) 		PF01412
(ArfGap)
PF12796
(Ank_2) 		5 LEU A 314
GLU A 254
LEU A 521
ARG A 257
HIS A 514
 None
 1.45A 1pcgB-1dcqA:
undetectable		 1pcgB-1dcqA:
22.54
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.
1eg3 DYSTROPHIN

(Homo sapiens) 		PF00397
(WW)
PF09068
(EF-hand_2)
PF09069
(EF-hand_3) 		5 LEU A 148
LEU A 179
LEU A  53
ARG A  63
HIS A 136
 None
 1.20A 1pcgB-1eg3A:
undetectable		 1pcgB-1eg3A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.15A 1pcgB-1loxA:
undetectable		 1pcgB-1loxA:
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.
1o8c YHDH

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A  98
ALA A   3
LEU A   5
MET A  59
LEU A   6
 None
 1.42A 1pcgB-1o8cA:
undetectable		 1pcgB-1o8cA:
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.
1odg DNA MISMATCH
ENDONUCLEASE

(Escherichia
coli) 		PF03852
(Vsr) 		5 LEU A 134
ALA A 129
LEU A 125
LEU A 119
ARG A  27
 None
 1.31A 1pcgB-1odgA:
undetectable		 1pcgB-1odgA:
22.91
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.
1pgj 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Trypanosoma
brucei) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 MET A 209
LEU A 211
LEU A 220
ARG A 242
LEU A 329
 None
 1.34A 1pcgB-1pgjA:
undetectable		 1pcgB-1pgjA:
19.91
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.
1sgv TRNA PSEUDOURIDINE
SYNTHASE B

(Mycobacterium
tuberculosis) 		PF01509
(TruB_N)
PF09142
(TruB_C)
PF16198
(TruB_C_2) 		5 ALA A 231
GLU A 230
LEU A 226
LEU A 224
LEU A  63
 None
 1.13A 1pcgB-1sgvA:
undetectable		 1pcgB-1sgvA:
22.46
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.
1ugo BCL2-ASSOCIATED
ATHANOGENE 5

(Mus musculus) 		PF02179
(BAG) 		5 ALA A  79
GLU A  83
LEU A  57
LEU A  53
LEU A  20
 None
 1.13A 1pcgB-1ugoA:
undetectable		 1pcgB-1ugoA:
16.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 324
GLU A 331
LEU A 365
ARG A 372
HIS A 494
 None
 0.52A 1pcgB-1xb7A:
28.2		 1pcgB-1xb7A:
33.86
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 LEU A 165
ALA A 168
LEU A 148
HIS A 104
LEU A 103
 None
 1.26A 1pcgB-1z7eA:
undetectable		 1pcgB-1z7eA:
17.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g7l TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		5 ALA A  28
LEU A  66
ARG A  21
HIS A 107
LEU A  37
 None
 1.47A 1pcgB-2g7lA:
undetectable		 1pcgB-2g7lA:
26.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gpv ESTROGEN-RELATED
RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 LEU A 268
ALA A 272
GLU A 275
LEU A 309
ARG A 316
HIS A 434
 OHT  A 500 (-4.1A)
OHT  A 500 (-3.5A)
OHT  A 500 (-2.6A)
OHT  A 500 ( 4.0A)
OHT  A 500 (-3.8A)
OHT  A 500 ( 4.7A)
 0.63A 1pcgB-2gpvA:
26.9		 1pcgB-2gpvA:
37.30
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.
2hx0 PUTATIVE DNA-BINDING
PROTEIN

(Salmonella
enterica) 		PF03479
(DUF296) 		5 ALA A  40
GLU A 117
LEU A  37
ARG A 141
LEU A  28
 None
 1.22A 1pcgB-2hx0A:
undetectable		 1pcgB-2hx0A:
23.01
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.
2ja2 GLUTAMYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00749
(tRNA-synt_1c) 		5 LEU A  23
ALA A  27
LEU A  65
LEU A  61
LEU A 284
 None
 1.32A 1pcgB-2ja2A:
undetectable		 1pcgB-2ja2A:
20.72
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.
2klo DNA REPLICATION
FACTOR CDT1

(Mus musculus) 		PF16679
(CDT1_C) 		5 LEU A 125
ALA A  51
LEU A  95
LEU A  98
LEU A 116
 None
 1.46A 1pcgB-2kloA:
undetectable		 1pcgB-2kloA:
23.20
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.
2lfd DIIRON PROTEIN

(Escherichia
coli) 		no annotation 5 LEU A  96
ALA A  94
LEU A  22
LEU A  18
LEU A  33
 None
 1.25A 1pcgB-2lfdA:
undetectable		 1pcgB-2lfdA:
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.
2nyp BETA-LACTAMASE II

(Bacillus cereus) 		PF00753
(Lactamase_B) 		5 LEU A 169
GLU A 194
LEU A 223
LEU A 219
LEU A 178
 None
 1.44A 1pcgB-2nypA:
undetectable		 1pcgB-2nypA:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ocf ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 343
LEU A 346
ALA A 350
GLU A 353
LEU A 387
MET A 388
LEU A 391
ARG A 394
HIS A 524
LEU A 525
 EST  A 596 (-4.8A)
EST  A 596 (-4.4A)
EST  A 596 ( 3.9A)
EST  A 596 (-2.7A)
EST  A 596 ( 4.2A)
None
EST  A 596 ( 4.6A)
EST  A 596 (-4.0A)
EST  A 596 (-4.2A)
EST  A 596 (-3.6A)
 0.51A 1pcgB-2ocfA:
36.7		 1pcgB-2ocfA:
98.36
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.
2ofx BIFUNCTIONAL
3'-PHOSPHOADENOSINE
5'-PHOSPHOSULFATE
SYNTHETASE 1

(Homo sapiens) 		PF01583
(APS_kinase) 		5 LEU A 119
ALA A 123
LEU A 125
HIS A 146
LEU A 151
 None
 1.49A 1pcgB-2ofxA:
undetectable		 1pcgB-2ofxA:
20.87
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.
2xts SULFITE
DEHYDROGENASE

(Paracoccus
pantotrophus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 LEU A 197
ALA A 200
LEU A 139
MET A 130
LEU A 129
 None
 1.31A 1pcgB-2xtsA:
undetectable		 1pcgB-2xtsA:
20.96
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.
3eag UDP-N-ACETYLMURAMATE
:L-ALANYL-GAMMA-D-GL
UTAMYL-MESO-DIAMINOP
IMELATE LIGASE

(Neisseria
meningitidis) 		PF01225
(Mur_ligase)
PF08245
(Mur_ligase_M) 		5 MET A 292
LEU A 295
GLU A 250
LEU A 273
ARG A 302
 None
 1.46A 1pcgB-3eagA:
undetectable		 1pcgB-3eagA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE

(Bacillus
subtilis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 ALA A 217
GLU A 216
LEU A 280
LEU A 283
LEU A 180
 None
 1.27A 1pcgB-3egoA:
undetectable		 1pcgB-3egoA:
21.88
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.
3gyu NUCLEAR HORMONE
RECEPTOR OF THE
STEROID/THYROID
HORMONE RECEPTORS
SUPERFAMILY

(Strongyloides
stercoralis) 		PF00104
(Hormone_recep) 		5 MET A 569
ALA A 575
GLU A 578
LEU A 687
LEU A 667
 None
 1.49A 1pcgB-3gyuA:
20.5		 1pcgB-3gyuA:
23.79
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.
3h3z CYCLIC
NUCLEOTIDE-BINDING
PROTEIN

(Ruegeria
pomeroyi) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		5 LEU A  15
ALA A  10
LEU A  28
LEU A  27
HIS A  53
 None
 1.45A 1pcgB-3h3zA:
undetectable		 1pcgB-3h3zA:
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		5 LEU A 133
ALA A 136
GLU A 135
ARG A 176
LEU A  94
 None
 1.30A 1pcgB-3kn1A:
undetectable		 1pcgB-3kn1A:
24.00
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.
3kn1 GOLGI PHOSPHOPROTEIN
3

(Homo sapiens) 		PF05719
(GPP34) 		5 LEU A 133
ALA A 136
GLU A 135
LEU A 170
LEU A  94
 None
 1.19A 1pcgB-3kn1A:
undetectable		 1pcgB-3kn1A:
24.00
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.
3kye ROADBLOCK/LC7
DOMAIN, ROBL_LC7

(Streptomyces
avermitilis) 		PF03259
(Robl_LC7) 		5 LEU A  16
MET A  17
LEU A  20
ARG A  23
LEU A 128
 None
 1.24A 1pcgB-3kyeA:
undetectable		 1pcgB-3kyeA:
23.43
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.
3kz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 11

(Homo sapiens) 		PF00621
(RhoGEF) 		5 MET A 796
LEU A 812
GLU A 902
LEU A 906
LEU A 742
 None
 1.41A 1pcgB-3kz1A:
undetectable		 1pcgB-3kz1A:
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.
3l09 PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Jannaschia sp.
CCS1) 		PF07848
(PaaX) 		5 LEU A  11
ALA A  14
GLU A  18
LEU A  21
ARG A 215
 None
None
None
SO4  A 266 (-4.6A)
SO4  A 266 (-4.1A)
 1.39A 1pcgB-3l09A:
undetectable		 1pcgB-3l09A:
24.47
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.
3l77 SHORT-CHAIN ALCOHOL
DEHYDROGENASE

(Thermococcus
sibiricus) 		PF00106
(adh_short) 		5 LEU A 212
ALA A 207
GLU A 206
ARG A  23
LEU A 176
 GOL  A 248 (-4.6A)
None
None
None
None
 1.39A 1pcgB-3l77A:
undetectable		 1pcgB-3l77A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o7j OHCU DECARBOXYLASE

(Klebsiella
pneumoniae) 		PF09349
(OHCU_decarbox) 		5 GLU A 161
LEU A 158
ARG A  49
HIS A  80
LEU A  83
 None
 1.35A 1pcgB-3o7jA:
undetectable		 1pcgB-3o7jA:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		5 LEU B 375
ALA B 378
LEU B 408
HIS B 575
LEU B 539
 None
 1.13A 1pcgB-3p8cB:
undetectable		 1pcgB-3p8cB:
12.18
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.
3q0g ENOYL-COA HYDRATASE
ECHA8

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 ALA A 170
GLU A 169
LEU A 158
ARG A 163
LEU A 119
 None
 1.34A 1pcgB-3q0gA:
undetectable		 1pcgB-3q0gA:
19.05
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.
3qde CELLOBIOSE
PHOSPHORYLASE

(Ruminiclostridium
thermocellum) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 MET A 453
ALA A 425
LEU A 422
LEU A 418
LEU A 381
 None
 1.46A 1pcgB-3qdeA:
undetectable		 1pcgB-3qdeA:
14.72
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		5 LEU A 358
ALA A 433
LEU A 281
LEU A 282
HIS A 356
 None
 1.07A 1pcgB-3rdeA:
undetectable		 1pcgB-3rdeA:
19.28
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.
3rrv ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 MET A   4
ALA A  39
GLU A  91
MET A  96
ARG A  98
 None
 1.45A 1pcgB-3rrvA:
undetectable		 1pcgB-3rrvA:
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.
3t3o METAL DEPENDENT
HYDROLASE

(Thermus
thermophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 LEU A  73
ALA A 103
LEU A 126
ARG A 111
LEU A 145
 None
 1.48A 1pcgB-3t3oA:
undetectable		 1pcgB-3t3oA:
18.75
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.
3tx8 SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Corynebacterium
glutamicum) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 ALA A  42
LEU A  43
LEU A  48
HIS A 113
LEU A  18
 None
 1.49A 1pcgB-3tx8A:
undetectable		 1pcgB-3tx8A:
22.37
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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 LEU A 190
ALA A 193
LEU A 197
LEU A 600
LEU A 163
 None
 1.35A 1pcgB-3ummA:
undetectable		 1pcgB-3ummA:
11.98
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.
4e3c INHIBITOR OF NUCLEAR
FACTOR KAPPA-B
KINASE SUBUNIT BETA

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 123
ALA A 121
GLU A 119
LEU A 117
LEU A 265
 None
 1.40A 1pcgB-4e3cA:
undetectable		 1pcgB-4e3cA:
17.37
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.
4gx8 DNA POLYMERASE III
SUBUNIT EPSILON,DNA
POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF02811
(PHP) 		5 LEU A  79
ALA A  77
LEU A  33
HIS A  53
LEU A  84
 None
 1.24A 1pcgB-4gx8A:
undetectable		 1pcgB-4gx8A:
21.47
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.
4hzu ENERGY-COUPLING
FACTOR TRANSPORTER
TRANSMEMBRANE
PROTEIN ECFT
PREDICTED MEMBRANE
PROTEIN

(Lactobacillus
brevis) 		PF02361
(CbiQ)
PF07155
(ECF-ribofla_trS) 		5 ALA T 175
GLU T 174
LEU T 208
ARG T 215
LEU S  39
 None
 1.29A 1pcgB-4hzuT:
undetectable		 1pcgB-4hzuT:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k2b NTD BIOSYNTHESIS
OPERON PROTEIN NTDA

(Bacillus
subtilis) 		PF01041
(DegT_DnrJ_EryC1) 		5 MET A 307
LEU A 304
ALA A 300
LEU A 103
LEU A 110
 None
 1.36A 1pcgB-4k2bA:
undetectable		 1pcgB-4k2bA:
20.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4n1y ESTROGEN RECEPTOR

(Crassostrea
gigas) 		PF00104
(Hormone_recep) 		5 LEU A 283
ALA A 287
GLU A 290
LEU A 324
ARG A 331
 None
 0.37A 1pcgB-4n1yA:
31.0		 1pcgB-4n1yA:
39.36
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.
4nee AP-2 COMPLEX SUBUNIT
ALPHA-2

(Rattus
norvegicus) 		no annotation 5 MET G 353
ALA G 389
LEU G 377
HIS G 369
LEU G 338
 None
 1.08A 1pcgB-4neeG:
undetectable		 1pcgB-4neeG:
23.00
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.
4oyd APOPTOSIS REGULATOR
BHRF1

(Human
gammaherpesvirus
4) 		PF00452
(Bcl-2) 		5 LEU A  31
ALA A  33
LEU A  10
HIS A  26
LEU A  25
 None
 1.27A 1pcgB-4oydA:
2.2		 1pcgB-4oydA:
26.36
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.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		5 MET A 133
LEU A 136
LEU A  83
LEU A  80
LEU A 144
 None
 1.35A 1pcgB-4p47A:
undetectable		 1pcgB-4p47A:
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.
4q4g PEPTIDOGLYCAN
ENDOPEPTIDASE RIPA

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 LEU X1188
ALA X1183
GLU X1182
LEU X1009
ARG X1196
 None
 1.48A 1pcgB-4q4gX:
undetectable		 1pcgB-4q4gX:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q5n GLUTHATIONE
S-TRANSFERASE BLO T
8 ISOFORM

(Blomia
tropicalis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 MET A  90
GLU A 105
LEU A 171
HIS A  24
LEU A  21
 None
 1.34A 1pcgB-4q5nA:
undetectable		 1pcgB-4q5nA:
20.93
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.
4quk DIHYDROFLAVONOL-4-RE
DUCTASE

(Medicago
truncatula) 		PF01370
(Epimerase) 		5 ALA A 235
LEU A  26
LEU A  27
HIS A  49
LEU A 200
 None
 1.30A 1pcgB-4qukA:
undetectable		 1pcgB-4qukA:
20.49
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.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		5 MET B 259
LEU B 262
ALA B 265
LEU B 319
LEU B 441
 None
 1.12A 1pcgB-4tx2B:
undetectable		 1pcgB-4tx2B:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4udb MINERALOCORTICOID
RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU A 769
ALA A 773
LEU A 810
LEU A 814
ARG A 817
 CV7  A1987 (-4.1A)
CV7  A1987 (-3.5A)
CV7  A1987 (-4.0A)
CV7  A1987 ( 4.0A)
CV7  A1987 (-3.7A)
 0.39A 1pcgB-4udbA:
27.2		 1pcgB-4udbA:
27.88
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.
4uhi STEROL 14-ALPHA
DEMETHYLASE

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 305
LEU A 296
LEU A 286
ARG A 272
LEU A 159
 None
None
None
None
VFV  A 580 (-4.5A)
 1.16A 1pcgB-4uhiA:
2.9		 1pcgB-4uhiA:
21.02
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.
4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2

(Mycolicibacterium
smegmatis) 		PF03971
(IDH) 		5 MET A 387
ALA A 527
LEU A 491
ARG A 502
LEU A 553
 None
 1.48A 1pcgB-4zdaA:
undetectable		 1pcgB-4zdaA:
15.93
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.
5a21 PORTAL PROTEIN

(Bacillus phage
SPP1) 		PF05133
(Phage_prot_Gp6) 		5 LEU A 199
ALA A 197
MET A 165
LEU A  37
HIS A 146
 None
 1.20A 1pcgB-5a21A:
undetectable		 1pcgB-5a21A:
17.78
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.
5bt1 HAT1-INTERACTING
FACTOR 1

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A 282
GLU A 283
LEU A 263
LEU A 260
ARG A 304
 None
 1.40A 1pcgB-5bt1A:
undetectable		 1pcgB-5bt1A:
21.53
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.
5c1i TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI

(Thermus
thermophilus) 		PF08704
(GCD14) 		5 LEU A 191
ALA A 248
LEU A  88
MET A  85
LEU A  89
 None
 1.43A 1pcgB-5c1iA:
undetectable		 1pcgB-5c1iA:
22.85
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.
5gha SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3) 		5 ALA A 236
GLU A 235
LEU A 232
LEU A 231
LEU A 171
 None
 1.48A 1pcgB-5ghaA:
undetectable		 1pcgB-5ghaA:
24.40
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.
5h4s L-RHAMNOSE-BINDING
LECTIN

(Toxopneustes
pileolus) 		PF02140
(Gal_Lectin) 		5 LEU A 244
GLU A 160
LEU A 280
LEU A 216
LEU A 277
 None
 1.49A 1pcgB-5h4sA:
undetectable		 1pcgB-5h4sA:
20.34
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.
5mji BRAMP DOMAIN PROTEIN

(Streptomyces
davaonensis) 		PF03358
(FMN_red) 		5 LEU A   8
ALA A 100
LEU A 104
LEU A 107
LEU A 129
 None
 1.28A 1pcgB-5mjiA:
undetectable		 1pcgB-5mjiA:
21.01
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.
5mlv -

(-) 		no annotation 5 MET G 202
LEU G 219
ALA G 223
LEU G 177
MET G 176
 None
 0.90A 1pcgB-5mlvG:
undetectable		 1pcgB-5mlvG:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5olt -

(-) 		no annotation 5 LEU A 245
ALA A 414
LEU A 255
MET A 256
LEU A 447
 None
 1.18A 1pcgB-5oltA:
undetectable		 1pcgB-5oltA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 MET A 295
LEU A 298
ALA A 302
GLU A 305
LEU A 339
MET A 340
LEU A 343
ARG A 346
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 ( 3.9A)
EST  A 601 (-2.4A)
EST  A 601 (-3.9A)
EST  A 601 ( 4.8A)
EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 0.36A 1pcgB-5toaA:
31.2		 1pcgB-5toaA:
59.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5toa ESTROGEN RECEPTOR
BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 MET A 295
LEU A 298
LEU A 354
HIS A 475
LEU A 476
 EST  A 601 ( 4.4A)
EST  A 601 (-4.1A)
None
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
 1.45A 1pcgB-5toaA:
31.2		 1pcgB-5toaA:
59.67
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.
5ux2 ALDEHYDE
DECARBONYLASE

(Synechococcus
sp. RS9917) 		no annotation 5 LEU A 199
ALA A 203
GLU A 146
LEU A 106
LEU A 218
 None
 1.30A 1pcgB-5ux2A:
2.2		 1pcgB-5ux2A:
16.53
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.
5vrd BIFUNCTIONAL
COENZYME PQQ
SYNTHESIS PROTEIN
C/D

(Methylobacterium
extorquens) 		no annotation 5 ALA D 153
LEU D 156
ARG D  91
HIS D  19
LEU D  22
 None
 1.25A 1pcgB-5vrdD:
2.1		 1pcgB-5vrdD:
14.60
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.
5vws CYTOCHROME P450

(Thermobispora
bispora) 		PF00067
(p450) 		5 ALA A 178
GLU A 181
LEU A 150
HIS A 232
LEU A 229
 None
 1.19A 1pcgB-5vwsA:
2.8		 1pcgB-5vwsA:
20.45
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.
5wq0 STAGE 0 SPORULATION
PROTEIN

(Paenisporosarcina
sp. TG-14) 		no annotation 5 MET B  71
LEU B  68
ALA B  66
MET B  59
LEU B  42
 None
 1.38A 1pcgB-5wq0B:
undetectable		 1pcgB-5wq0B:
23.43
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.
6dll P-HYDROXYBENZOATE
HYDROXYLASE

(Pseudomonas
putida) 		no annotation 5 ALA A  59
GLU A  58
LEU A  20
ARG A 311
LEU A 109
 None
 1.42A 1pcgB-6dllA:
undetectable		 1pcgB-6dllA:
17.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 293
LEU A 316
LEU A 317
ARG A 322
LEU A 283
 None
 1.44A 1pcgB-6fbtA:
undetectable		 1pcgB-6fbtA:
16.95