SIMILAR PATTERNS OF AMINO ACIDS FOR 2OCF_A_ESTA596_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.
1g5i MITOCHONDRIAL DNA
POLYMERASE ACCESSORY
SUBUNIT


(Mus musculus)
PF03129
(HGTP_anticodon)
5 MET A  92
LEU A 213
ALA A 211
GLU A 210
HIS A 232
None
1.38A 2ocfA-1g5iA:
0.0
2ocfA-1g5iA:
21.84
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.
1iq0 ARGINYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1)
5 LEU A  88
ALA A  91
GLU A  90
LEU A 510
LEU A 505
None
1.44A 2ocfA-1iq0A:
0.4
2ocfA-1iq0A:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jbk CLPB PROTEIN

(Escherichia
coli)
PF00004
(AAA)
5 MET A 242
LEU A 245
ALA A 249
GLU A 254
MET A 283
None
1.18A 2ocfA-1jbkA:
undetectable
2ocfA-1jbkA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jdp ATRIAL NATRIURETIC
PEPTIDE CLEARANCE
RECEPTOR


(Homo sapiens)
PF01094
(ANF_receptor)
5 LEU A 274
ALA A 270
LEU A 227
ARG A 259
MET A 215
None
1.33A 2ocfA-1jdpA:
0.0
2ocfA-1jdpA:
22.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pcg 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
ARG A 394
MET A 421
HIS A 524
LEU A 525
EST  A   1 ( 4.0A)
EST  A   1 (-4.4A)
EST  A   1 ( 3.7A)
EST  A   1 (-2.8A)
EST  A   1 (-4.0A)
None
EST  A   1 (-3.7A)
EST  A   1 ( 4.3A)
EST  A   1 (-3.8A)
EST  A   1 (-3.6A)
0.50A 2ocfA-1pcgA:
36.6
2ocfA-1pcgA:
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.
1s0u TRANSLATION
INITIATION FACTOR 2
GAMMA SUBUNIT


(Methanocaldococcus
jannaschii)
PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C)
5 ALA A 264
LEU A 133
MET A 134
ARG A 230
LEU A  77
None
1.35A 2ocfA-1s0uA:
undetectable
2ocfA-1s0uA:
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.
1svd RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN
RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT


(Halothiobacillus
neapolitanus)
PF00016
(RuBisCO_large)
PF00101
(RuBisCO_small)
PF02788
(RuBisCO_large_N)
5 MET A 380
ALA A 419
GLU A 422
LEU M  19
LEU A 448
None
1.46A 2ocfA-1svdA:
undetectable
2ocfA-1svdA:
21.15
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.
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
0.66A 2ocfA-1xb7A:
29.0
2ocfA-1xb7A:
28.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yrw PROTEIN ARNA

(Escherichia
coli)
PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C)
5 LEU A 165
ALA A 168
LEU A 148
HIS A 104
LEU A 103
None
1.35A 2ocfA-1yrwA:
undetectable
2ocfA-1yrwA:
20.41
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.
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
1.34A 2ocfA-1z7eA:
undetectable
2ocfA-1z7eA:
19.00
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)
0.76A 2ocfA-2gpvA:
27.4
2ocfA-2gpvA:
31.37
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.
2mc3 MUS81 ENDONUCLEASE
HOMOLOG (YEAST),
ISOFORM CRA_B


(Homo sapiens)
no annotation 5 ALA A  90
GLU A  93
LEU A  97
HIS A  22
LEU A  23
None
1.23A 2ocfA-2mc3A:
undetectable
2ocfA-2mc3A:
17.18
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.
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
1.48A 2ocfA-2ofxA:
undetectable
2ocfA-2ofxA:
19.60
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE


(Bacteroides
fragilis)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
5 MET A 370
ALA A 345
GLU A 342
LEU A 346
ARG A 328
None
1.45A 2ocfA-3cmgA:
undetectable
2ocfA-3cmgA:
16.24
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.
3e74 ALLANTOINASE

(Escherichia
coli)
PF01979
(Amidohydro_1)
5 ALA A 349
GLU A 348
ARG A 416
MET A  55
LEU A 363
None
1.44A 2ocfA-3e74A:
undetectable
2ocfA-3e74A:
21.79
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.
3h9p PUTATIVE
TRIPHOSPHORIBOSYL-DE
PHOSPHO-COA SYNTHASE


(Archaeoglobus
fulgidus)
PF01874
(CitG)
5 ALA A 270
GLU A 273
LEU A 192
HIS A 207
LEU A 204
None
1.45A 2ocfA-3h9pA:
undetectable
2ocfA-3h9pA:
24.52
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.
3ib3 COCE/NOND FAMILY
HYDROLASE


(Staphylococcus
aureus)
PF02129
(Peptidase_S15)
PF08530
(PepX_C)
5 ALA A 143
GLU A 144
LEU A 181
ARG A  49
MET A  71
None
1.38A 2ocfA-3ib3A:
undetectable
2ocfA-3ib3A:
19.52
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.
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
1.34A 2ocfA-3kn1A:
undetectable
2ocfA-3kn1A:
22.64
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.
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
1.15A 2ocfA-3kn1A:
undetectable
2ocfA-3kn1A:
22.64
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.
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
1.42A 2ocfA-3l77A:
undetectable
2ocfA-3l77A:
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.
3ltl BREFELDIN
A-INHIBITED GUANINE
NUCLEOTIDE-EXCHANGE
PROTEIN 1


(Homo sapiens)
PF01369
(Sec7)
5 LEU A 781
LEU A 834
MET A 833
MET A 801
LEU A 827
None
1.21A 2ocfA-3ltlA:
undetectable
2ocfA-3ltlA:
21.93
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.
3o3m BETA SUBUNIT
2-HYDROXYACYL-COA
DEHYDRATASE


(Clostridioides
difficile)
PF06050
(HGD-D)
5 GLU B  41
LEU B 281
ARG B 171
MET B  98
LEU B 121
None
1.45A 2ocfA-3o3mB:
undetectable
2ocfA-3o3mB:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE


(Citrus x
microcarpa)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
5 LEU A 222
ALA A 113
GLU A 116
ARG A 234
LEU A 187
LEU  A 222 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 116 ( 0.5A)
ARG  A 234 ( 0.6A)
LEU  A 187 ( 0.5A)
1.25A 2ocfA-3wd7A:
undetectable
2ocfA-3wd7A:
23.29
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.
4i83 3-HYDROXYACYL-[ACYL-
CARRIER-PROTEIN]
DEHYDRATASE FABZ


(Neisseria
meningitidis)
PF07977
(FabA)
5 MET A  60
LEU A  64
ALA A  68
LEU A  25
LEU A 110
None
1.37A 2ocfA-4i83A:
undetectable
2ocfA-4i83A:
20.13
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.
4i8o TOXIN RNLA

(Escherichia
coli)
PF15935
(RnlA_toxin)
5 LEU A 117
GLU A 110
LEU A 155
ARG A 133
LEU A 179
None
1.45A 2ocfA-4i8oA:
undetectable
2ocfA-4i8oA:
23.02
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.
4k1p NHEA

(Bacillus cereus)
PF05791
(Bacillus_HBL)
5 LEU A 300
GLU A 298
LEU A 138
MET A  85
LEU A  78
None
1.50A 2ocfA-4k1pA:
2.9
2ocfA-4k1pA:
22.28
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.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE


(Burkholderia
cenocepacia)
PF00171
(Aldedh)
5 ALA A 210
GLU A 209
LEU A  93
MET A  94
ARG A 202
None
1.49A 2ocfA-4lihA:
undetectable
2ocfA-4lihA:
20.04
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
0.63A 2ocfA-4n1yA:
31.9
2ocfA-4n1yA:
36.56
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
LEU A 324
ARG A 331
MET A 358
None
0.84A 2ocfA-4n1yA:
31.9
2ocfA-4n1yA:
36.56
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.
4ojz PUTATIVE ALGINATE
LYASE


(Saccharophagus
degradans)
PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III)
5 LEU A 148
ALA A 151
GLU A 150
LEU A 188
HIS A 200
MAV  A 803 ( 4.8A)
None
None
None
LGU  A 802 ( 4.2A)
1.41A 2ocfA-4ojzA:
undetectable
2ocfA-4ojzA:
18.14
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.
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 2ocfA-4oydA:
1.8
2ocfA-4oydA:
23.42
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.
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
1.40A 2ocfA-4q5nA:
undetectable
2ocfA-4q5nA:
24.48
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.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE


(Actinoplanes
teichomyceticus)
PF00668
(Condensation)
5 MET B 259
LEU B 262
ALA B 266
HIS B 245
LEU B 240
None
1.40A 2ocfA-4tx2B:
undetectable
2ocfA-4tx2B:
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.
4zrq TRANSCOBALAMIN-2

(Homo sapiens)
PF01122
(Cobalamin_bind)
PF14478
(DUF4430)
5 LEU A 250
ALA A 248
LEU A 245
MET A   2
LEU A 232
None
1.45A 2ocfA-4zrqA:
undetectable
2ocfA-4zrqA:
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA


(Sinorhizobium
meliloti)
PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg)
5 ALA A 749
GLU A 748
LEU A 645
MET A 646
ARG A 744
None
1.49A 2ocfA-5kf7A:
undetectable
2ocfA-5kf7A:
14.02
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.
5mlv -

(-)
no annotation 5 MET G 202
LEU G 219
ALA G 223
LEU G 177
MET G 176
None
0.99A 2ocfA-5mlvG:
undetectable
2ocfA-5mlvG:
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)
9 MET A 295
LEU A 298
ALA A 302
GLU A 305
LEU A 339
MET A 340
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 (-4.1A)
EST  A 601 (-4.4A)
EST  A 601 (-3.5A)
0.56A 2ocfA-5toaA:
31.7
2ocfA-5toaA:
53.10
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.
5vl1 LYSINE--TRNA LIGASE

(Mycobacterium
ulcerans)
PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
5 ALA A 297
GLU A 296
ARG A 192
MET A 470
LEU A 476
None
1.17A 2ocfA-5vl1A:
undetectable
2ocfA-5vl1A:
20.08
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.
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
1.33A 2ocfA-5vrdD:
1.7
2ocfA-5vrdD:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.39A 2ocfA-5wq0B:
undetectable
2ocfA-5wq0B:
17.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5y UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
PF03739
(YjgP_YjgQ)
5 MET F 312
LEU F 309
ALA F 307
LEU F 304
LEU F  66
None
1.45A 2ocfA-5x5yF:
undetectable
2ocfA-5x5yF:
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.
5x87 BESTROPHIN

(Klebsiella
pneumoniae)
no annotation 5 ALA A  82
GLU A  81
LEU A  85
ARG A 201
LEU A 272
None
1.43A 2ocfA-5x87A:
undetectable
2ocfA-5x87A:
22.67
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT


(Homo sapiens)
PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194)
5 MET C1403
LEU C1406
MET C1369
HIS C1418
LEU C1419
None
1.22A 2ocfA-5y3rC:
undetectable
2ocfA-5y3rC:
5.86
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.
5ykd D-HYDANTOINASE/DIHYD
ROPYRIMIDINASE


(Pseudomonas
aeruginosa)
no annotation 5 LEU A 237
ALA A 245
GLU A 248
ARG A 226
LEU A 310
None
1.47A 2ocfA-5ykdA:
undetectable
2ocfA-5ykdA:
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.
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
1.50A 2ocfA-6dllA:
undetectable
2ocfA-6dllA:
16.61