SIMILAR PATTERNS OF AMINO ACIDS FOR 6IFT_A_SAMA301_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.
1bxk PROTEIN
(DTDP-GLUCOSE
4,6-DEHYDRATASE)

(Escherichia
coli) 		PF16363
(GDP_Man_Dehyd) 		4 GLN A 342
GLU A 198
ASN A  40
TYR A 331
 None
 1.33A 6iftA-1bxkA:
4.9		 6iftA-1bxkA:
22.34
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.
1pk6 COMPLEMENT C1Q
SUBCOMPONENT, A
CHAIN PRECURSOR
COMPLEMENT C1Q
SUBCOMPONENT, B
CHAIN PRECURSOR

(Homo sapiens;
Homo sapiens) 		PF00386
(C1q)
PF00386
(C1q) 		4 GLN A 146
GLU A 209
ASP A 211
ASN B 152
 None
 1.38A 6iftA-1pk6A:
undetectable		 6iftA-1pk6A:
17.47
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		4 GLN A  27
GLU A  79
ASP A 105
ASN A 119
 SAH  A1001 (-3.8A)
SAH  A1001 (-2.8A)
SAH  A1001 (-3.2A)
SAH  A1001 (-4.6A)
 0.45A 6iftA-1wy7A:
15.7		 6iftA-1wy7A:
22.34
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.
2ae0 MEMBRANE-BOUND LYTIC
MUREIN
TRANSGLYCOSYLASE A

(Escherichia
coli) 		PF03562
(MltA)
PF06725
(3D) 		4 GLN X  42
GLU X  41
ASN X  35
TYR X 310
 None
 1.30A 6iftA-2ae0X:
undetectable		 6iftA-2ae0X:
21.30
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 GLN A 444
GLU A 464
ASP A 493
TYR A 442
 MGD  A 801 (-3.5A)
None
None
MGD  A 801 (-3.7A)
 0.90A 6iftA-2e7zA:
0.0		 6iftA-2e7zA:
18.23
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		4 GLN A 261
GLU A 216
ASP A  72
TYR A 259
 None
 1.41A 6iftA-2eyqA:
2.0		 6iftA-2eyqA:
13.94
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.
2gl5 PUTATIVE DEHYDRATASE
PROTEIN

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLN A 134
GLU A 349
ASP A 297
TYR A  46
 MG  A 699 ( 4.9A)
None
None
None
 1.07A 6iftA-2gl5A:
0.0		 6iftA-2gl5A:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLN A 134
GLU A 346
ASP A 294
TYR A  46
 None
 1.09A 6iftA-2o56A:
1.1		 6iftA-2o56A:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ox4 PUTATIVE MANDELATE
RACEMASE

(Zymomonas
mobilis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLN A 130
GLU A 340
ASP A 288
TYR A  42
 None
 1.14A 6iftA-2ox4A:
1.8		 6iftA-2ox4A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn1 ALPHA-GALACTOSIDASE

(Lactobacillus
acidophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 GLU A 717
ASP A 714
ASN A 594
TYR A 726
 None
None
None
GOL  A1737 ( 4.3A)
 0.96A 6iftA-2xn1A:
undetectable		 6iftA-2xn1A:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 GLN A 358
GLU A 354
ASN A 375
TYR A 293
 None
BES  A1950 (-3.3A)
None
None
 1.36A 6iftA-2yd0A:
undetectable		 6iftA-2yd0A:
16.63
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.
2zym SOLUTE-BINDING
PROTEIN

(Thermoactinomyces
vulgaris) 		PF13416
(SBP_bac_8) 		4 GLN A 152
GLU A 221
ASN A 158
TYR A 147
 None
 1.42A 6iftA-2zymA:
undetectable		 6iftA-2zymA:
23.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b1e BETAC-S LYASE

(Streptococcus
anginosus) 		PF00155
(Aminotran_1_2) 		4 GLU A 278
ASP A  65
ASN A 243
TYR A  62
 None
 1.47A 6iftA-3b1eA:
2.8		 6iftA-3b1eA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		4 GLN A 239
GLU A 229
ASP A 231
ASN A 241
 None
 1.39A 6iftA-3o98A:
undetectable		 6iftA-3o98A:
19.30
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.
3q2k OXIDOREDUCTASE

(Bordetella
pertussis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLN A 139
GLU A 319
ASP A 306
ASN A 132
 None
None
None
HP7  A 550 ( 3.9A)
 1.36A 6iftA-3q2kA:
2.6		 6iftA-3q2kA:
20.64
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.
3q5e ATLASTIN-1

(Homo sapiens) 		PF02263
(GBP) 		4 GLN A 431
ASP A 426
ASN A 436
TYR A 367
 None
 1.50A 6iftA-3q5eA:
undetectable		 6iftA-3q5eA:
20.89
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.
3uz0 STAGE III
SPORULATION PROTEIN
AH
STAGE II SPORULATION
PROTEIN Q

(Bacillus
subtilis;
Bacillus
subtilis) 		PF12685
(SpoIIIAH)
PF01551
(Peptidase_M23) 		4 GLN B 168
GLU B 206
ASP A 209
TYR B 195
 None
 1.49A 6iftA-3uz0B:
undetectable		 6iftA-3uz0B:
22.79
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.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		4 GLN A 963
GLU A 109
ASP A 889
ASN A 103
 ASP  A1967 ( 4.2A)
None
None
None
 1.33A 6iftA-3zgbA:
2.1		 6iftA-3zgbA:
14.61
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.
4cyf PANTETHEINASE

(Homo sapiens) 		PF00795
(CN_hydrolase) 		4 GLN A 179
GLU A 195
ASP A 163
ASN A 189
 None
 1.42A 6iftA-4cyfA:
undetectable		 6iftA-4cyfA:
20.74
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.
4d1i BETA-GALACTOSIDASE,
PUTATIVE, BGL35A

(Cellvibrio
japonicus) 		PF02449
(Glyco_hydro_42) 		4 GLN A 354
ASP A 327
ASN A 352
TYR A 359
 None
 1.45A 6iftA-4d1iA:
2.4		 6iftA-4d1iA:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zuz SIDC

(Legionella
pneumophila) 		no annotation 4 GLN A 656
GLU A 702
ASN A 650
TYR A 635
 None
 1.34A 6iftA-4zuzA:
undetectable		 6iftA-4zuzA:
16.32
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.
5c2u NUP54
NANOBODY

(Xenopus laevis;
Camelus
dromedarius) 		no annotation
PF07686
(V-set) 		4 GLN B  98
GLU A 294
ASP B  51
TYR B 105
 None
 1.44A 6iftA-5c2uB:
undetectable		 6iftA-5c2uB:
18.69
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.
5giv CARBOXYPEPTIDASE 1

(Deinococcus
radiodurans) 		PF02074
(Peptidase_M32) 		4 GLN A 420
GLU A 368
ASP A 407
TYR A 422
 None
 1.38A 6iftA-5givA:
undetectable		 6iftA-5givA:
21.56
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.
5gkq ALYGC MUTANT - R241A

(Paraglaciecola
chathamensis) 		PF14592
(Chondroitinas_B) 		4 GLN A 414
GLU A 416
ASN A 250
TYR A 400
 None
 1.46A 6iftA-5gkqA:
undetectable		 6iftA-5gkqA:
18.06
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.
5k04 UNCHARACTERIZED
PROTEIN

(Candida
albicans) 		PF09797
(NatB_MDM20) 		4 GLN A 312
GLU A 280
ASP A 282
ASN A 273
 None
 1.42A 6iftA-5k04A:
undetectable		 6iftA-5k04A:
16.67
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.
5mzn HELICASE
SEN1,HELICASE SEN1

(Saccharomyces
cerevisiae) 		PF13086
(AAA_11)
PF13087
(AAA_12) 		4 GLN A1654
ASP A1616
ASN A1336
TYR A1670
 None
None
ADP  A2001 (-4.0A)
None
 1.35A 6iftA-5mznA:
2.0		 6iftA-5mznA:
17.71
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.
5ysx -

(-) 		no annotation 4 GLN A 117
ASP A 160
ASN A 165
TYR A  80
 None
 1.49A 6iftA-5ysxA:
undetectable		 6iftA-5ysxA:
undetectable