SIMILAR PATTERNS OF AMINO ACIDS FOR 4K37_A_SAMA504_0

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.
1csj HEPATITIS C VIRUS
RNA POLYMERASE
(NS5B)

(Hepacivirus C) 		PF00998
(RdRP_3) 		5 CYH A 279
GLN A  49
LEU A 159
VAL A 161
ILE A 138
 None
 1.32A 4k37A-1csjA:
undetectable		 4k37A-1csjA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1krh BENZOATE
1,2-DIOXYGENASE
REDUCTASE

(Acinetobacter
sp.) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 TYR A 271
GLU A 233
GLN A 258
LEU A 226
ILE A 222
 None
 1.47A 4k37A-1krhA:
undetectable		 4k37A-1krhA:
18.91
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A

(Staphylococcus
aureus) 		PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14) 		5 TYR A  30
CYH A  31
GLU A  76
SER A 126
VAL A 167
 SAM  A1501 ( 4.5A)
SF4  A1401 (-2.3A)
SAM  A1501 (-4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
 0.68A 4k37A-1tv8A:
18.5		 4k37A-1tv8A:
22.89
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A

(Staphylococcus
aureus) 		PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14) 		5 TYR A  30
GLU A  76
SER A 126
VAL A 167
ILE A 194
 SAM  A1501 ( 4.5A)
SAM  A1501 (-4.4A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
DTU  A1502 ( 4.7A)
 0.90A 4k37A-1tv8A:
18.5		 4k37A-1tv8A:
22.89
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.
1woy METHIONYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00133
(tRNA-synt_1)
PF09334
(tRNA-synt_1g) 		5 ARG A 474
LEU A 475
VAL A 473
ILE A 450
LEU A 469
 None
 1.42A 4k37A-1woyA:
undetectable		 4k37A-1woyA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hh9 THIAMIN
PYROPHOSPHOKINASE

(Candida
albicans) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		5 TYR A 247
GLN A  14
SER A 305
LEU A  18
ILE A  20
 None
 1.48A 4k37A-2hh9A:
undetectable		 4k37A-2hh9A:
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 368
SER A 361
VAL A 359
ILE A 353
LEU A 187
 None
 1.43A 4k37A-2qaeA:
undetectable		 4k37A-2qaeA:
21.52
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.
2rq4 CUG-BP- AND
ETR-3-LIKE FACTOR 1

(Homo sapiens) 		PF00076
(RRM_1) 		5 TYR A 449
GLU A 396
LEU A 476
VAL A 474
ILE A 459
 None
 1.06A 4k37A-2rq4A:
undetectable		 4k37A-2rq4A:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 SER A 249
LEU A 221
VAL A 224
ILE A 220
LEU A 205
 None
 1.10A 4k37A-2z81A:
undetectable		 4k37A-2z81A:
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.
3a8p T-LYMPHOMA INVASION
AND
METASTASIS-INDUCING
PROTEIN 2

(Mus musculus) 		PF00169
(PH) 		5 CYH A 694
TYR A 695
LEU A 588
VAL A 610
ILE A 613
 None
 1.38A 4k37A-3a8pA:
undetectable		 4k37A-3a8pA:
18.87
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.
3gn6 CT0912, ORFAN
PROTEIN WITH A
FERREDOXIN-LIKE
DOMAIN REPEAT

(Chlorobaculum
tepidum) 		no annotation 5 GLU A 191
LEU A 258
VAL A 168
ILE A 257
LEU A 221
 None
 1.45A 4k37A-3gn6A:
undetectable		 4k37A-3gn6A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gt7 SENSOR PROTEIN

(Syntrophus
aciditrophicus) 		PF00072
(Response_reg) 		5 TYR A  71
CYH A 106
LEU A  91
VAL A  63
LEU A  73
 None
 1.11A 4k37A-3gt7A:
undetectable		 4k37A-3gt7A:
19.68
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.
3ja6 CHEMOTAXIS PROTEIN
CHEW

(Escherichia
coli) 		PF01584
(CheW) 		5 GLU A  17
SER A  15
LEU A 102
ILE A 104
LEU A 109
 None
 1.50A 4k37A-3ja6A:
undetectable		 4k37A-3ja6A:
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.
3l9x GLUTATHIONE-REGULATE
D POTASSIUM-EFFLUX
SYSTEM PROTEIN KEFC,
LINKER, ANCILLARY
PROTEIN KEFF

(Escherichia
coli) 		PF02254
(TrkA_N)
PF02525
(Flavodoxin_2) 		5 TYR A1163
GLU A1169
LEU A1058
VAL A1030
LEU A1021
 None
 1.39A 4k37A-3l9xA:
undetectable		 4k37A-3l9xA:
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.
4hfn ALLYL ALCOHOL
DEHYDROGENASE

(Nicotiana
tabacum) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A 294
TYR A 130
GLU A 311
VAL A 298
ILE A 299
 None
 1.23A 4k37A-4hfnA:
undetectable		 4k37A-4hfnA:
22.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 CYH A  22
TYR A  24
GLU A  67
GLN A  64
LEU A 195
 SF4  A 503 ( 2.2A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
None
SAM  A 504 (-4.1A)
 0.89A 4k37A-4k37A:
63.7		 4k37A-4k37A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		11 TYR A  21
CYH A  22
TYR A  24
GLU A  67
GLN A  98
SER A 122
ARG A 134
LEU A 163
VAL A 165
ILE A 192
LEU A 195
 SAM  A 504 (-4.6A)
SF4  A 503 ( 2.2A)
SAM  A 504 ( 3.4A)
SAM  A 504 (-4.1A)
SAM  A 504 (-4.4A)
SAM  A 504 (-2.5A)
SAM  A 504 ( 3.5A)
SAM  A 504 (-3.8A)
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
SAM  A 504 (-4.1A)
 0.00A 4k37A-4k37A:
63.7		 4k37A-4k37A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 5 CYH B 132
GLU B 180
SER B 233
VAL B 280
ILE B 309
 SF4  B 401 (-2.1A)
SF4  B 401 ( 4.8A)
SF4  B 401 ( 4.8A)
None
None
 0.65A 4k37A-4pl2B:
4.5		 4k37A-4pl2B:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rh0 SPORE PHOTOPRODUCT
LYASE

(Geobacillus
thermodenitrificans) 		no annotation 5 TYR A  96
CYH A  97
TYR A  98
SER A 195
ILE A 270
 EEM  A 401 ( 4.6A)
SF4  A 409 (-2.1A)
EEM  A 401 (-4.1A)
EEM  A 401 (-2.4A)
EEM  A 401 ( 4.3A)
 1.21A 4k37A-4rh0A:
11.0		 4k37A-4rh0A:
24.09
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.
4v19 MITORIBOSOMAL
PROTEIN BL31M,
MRPL55

(Sus scrofa) 		PF09776
(Mitoc_L55) 		5 ARG 4  73
LEU 4  57
VAL 4  55
ILE 4  67
LEU 4  52
 None
 1.30A 4k37A-4v194:
undetectable		 4k37A-4v194:
14.86
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.
5a01 O-GLYCOSYLTRANSFERAS
E

(Drosophila
melanogaster) 		PF13374
(TPR_10)
PF13414
(TPR_11)
PF13844
(Glyco_transf_41) 		5 TYR A 588
TYR A1032
LEU A1039
ILE A 706
LEU A 691
 None
 1.36A 4k37A-5a01A:
2.6		 4k37A-5a01A:
18.52
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.
5dds CRMG

(Actinoalloteichus
sp. WH1-2216-6) 		PF00202
(Aminotran_3) 		5 GLU A 250
ARG A 303
LEU A 308
ILE A 279
LEU A 203
 None
 1.43A 4k37A-5ddsA:
undetectable		 4k37A-5ddsA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hr6 RLMN METHYLASE

(Escherichia
coli) 		PF04055
(Radical_SAM) 		5 CYH A 132
GLU A 180
SER A 233
VAL A 280
ILE A 309
 SF4  A 502 ( 2.2A)
MET  A 501 (-4.0A)
MET  A 501 ( 2.6A)
5AD  A 503 (-4.8A)
5AD  A 503 (-4.1A)
 0.52A 4k37A-5hr6A:
4.2		 4k37A-5hr6A:
19.73
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.
5liv CYTOCHROME P450
CYP260A1,CYTOCHROME
P450 CYP260A1

(Sorangium
cellulosum) 		PF00067
(p450) 		5 GLU A 151
SER A 159
LEU A 182
VAL A 163
LEU A 414
 None
 1.50A 4k37A-5livA:
undetectable		 4k37A-5livA:
19.96
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.
5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC

(Arabidopsis
thaliana) 		no annotation 5 CYH A 292
SER A 154
LEU A 128
ILE A 255
LEU A 260
 None
 1.20A 4k37A-5nueA:
undetectable		 4k37A-5nueA:
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.
5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		6 CYH A  91
GLU A 127
SER A 180
ARG A 194
VAL A 224
LEU A 252
 SF4  A 401 ( 2.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-2.4A)
SAH  A 402 ( 3.4A)
SAH  A 402 (-4.3A)
SAH  A 402 (-4.5A)
 0.78A 4k37A-5vslA:
19.4		 4k37A-5vslA:
23.48
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.
5wgg RADICAL SAM DOMAIN
PROTEIN

(Ruminiclostridium
thermocellum) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 TYR A 110
CYH A 111
GLU A 155
SER A 210
ARG A 222
 SAM  A 504 (-4.8A)
SF4  A 502 ( 2.4A)
SAM  A 504 (-3.7A)
SAM  A 504 (-2.5A)
SF4  A 502 ( 3.6A)
 0.19A 4k37A-5wggA:
31.1		 4k37A-5wggA:
23.12
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.
5z0u NEOPULLULANASE 1

(Thermoactinomyces
vulgaris) 		no annotation 5 GLU A  25
SER A 463
LEU A 130
ILE A 394
LEU A 355
 None
 1.47A 4k37A-5z0uA:
3.3		 4k37A-5z0uA:
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.
6b7p SDED

(Legionella
pneumophila) 		no annotation 5 GLU A 242
LEU A 193
VAL A 202
ILE A 213
LEU A 217
 None
 1.42A 4k37A-6b7pA:
undetectable		 4k37A-6b7pA:
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.
6f85 CYTOCHROME P450
CYP260A1

(Sorangium
cellulosum) 		no annotation 5 GLU A 101
SER A 109
LEU A 132
VAL A 113
LEU A 364
 None
 1.41A 4k37A-6f85A:
undetectable		 4k37A-6f85A:
undetectable