SIMILAR PATTERNS OF AMINO ACIDS FOR 3QWP_A_SAMA510

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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 GLY A 301
ASN A 296
TYR A 255
TYR A 295
PHE A 345
 None
 1.21A 3qwpA-1bf2A:
undetectable		 3qwpA-1bf2A:
19.25
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.
1h6d PRECURSOR FORM OF
GLUCOSE-FRUCTOSE
OXIDOREDUCTASE

(Zymomonas
mobilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 GLY A 347
ASN A 238
ASN A 216
HIS A 211
TYR A 276
 None
 1.35A 3qwpA-1h6dA:
undetectable		 3qwpA-1h6dA:
19.38
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.
1kqf FORMATE
DEHYDROGENASE,
NITRATE-INDUCIBLE,
MAJOR SUBUNIT

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 GLY A 980
ASN A 106
GLU A 979
ASN A 558
HIS A 975
 None
None
None
None
MGD  A1019 (-4.8A)
 1.47A 3qwpA-1kqfA:
undetectable		 3qwpA-1kqfA:
18.16
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.
1mt6 SET9

(Homo sapiens) 		PF00856
(SET)
PF02493
(MORN) 		5 GLY A 227
ASN A 265
ASN A 296
HIS A 297
TYR A 335
 SAH  A   1 ( 4.0A)
SAH  A   1 (-3.6A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.4A)
 0.36A 3qwpA-1mt6A:
5.7		 3qwpA-1mt6A:
20.63
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.
2atf CYSTEINE DIOXYGENASE
TYPE I

(Mus musculus) 		PF05995
(CDO_I) 		5 GLY A 100
ASN A 101
GLU A 149
ASN A 144
HIS A  81
 None
 1.14A 3qwpA-2atfA:
undetectable		 3qwpA-2atfA:
17.28
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.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		6 GLY A  81
ASN A 242
HIS A 243
TYR A 287
TYR A 300
PHE A 302
 SAM  A 801 (-3.7A)
SAM  A 801 (-2.9A)
SAM  A 801 (-4.9A)
SAM  A 801 (-4.8A)
None
SAM  A 801 (-3.9A)
 0.53A 3qwpA-2h21A:
2.5		 3qwpA-2h21A:
23.68
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.
2iwb METHICILLIN
RESISTANCE MECR1
PROTEIN

(Staphylococcus
aureus) 		PF00905
(Transpeptidase) 		5 GLY A 472
ASN A 473
ASN A 467
TYR A 393
TYR A 465
 None
 1.37A 3qwpA-2iwbA:
undetectable		 3qwpA-2iwbA:
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.
2ya1 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48)
PF03714
(PUD) 		5 ARG A 948
GLY A 947
ASN A1014
ASN A 928
TYR A 591
 None
 1.08A 3qwpA-2ya1A:
undetectable		 3qwpA-2ya1A:
17.91
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.
2ya2 PUTATIVE ALKALINE
AMYLOPULLULANASE

(Streptococcus
pneumoniae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 ARG A 493
GLY A 492
ASN A 559
ASN A 473
TYR A 136
 None
 1.00A 3qwpA-2ya2A:
undetectable		 3qwpA-2ya2A:
19.94
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.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7

(Homo sapiens) 		PF00856
(SET) 		5 GLY A 227
ASN A 265
ASN A 296
HIS A 297
TYR A 335
 SAH  A   1 ( 4.0A)
SAH  A   1 (-4.0A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.9A)
 0.33A 3qwpA-3cboA:
6.4		 3qwpA-3cboA:
19.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  16
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 None
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 1.15A 3qwpA-3n71A:
38.3		 3qwpA-3n71A:
30.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		7 GLY A  18
ASN A 180
ASN A 205
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 SFG  A 491 ( 4.2A)
SFG  A 491 (-4.3A)
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 0.46A 3qwpA-3n71A:
38.3		 3qwpA-3n71A:
30.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
ASN A 180
HIS A 206
TYR A 252
TYR A 270
 None
SFG  A 491 (-4.3A)
None
SFG  A 491 (-4.8A)
None
 1.08A 3qwpA-3n71A:
38.3		 3qwpA-3n71A:
30.80
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.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		6 GLY A  74
ASN A 251
HIS A 252
TYR A 285
TYR A 297
PHE A 299
 SAM  A 484 (-3.4A)
SAM  A 484 (-3.1A)
None
SAM  A 484 (-4.8A)
None
SAM  A 484 (-3.5A)
 0.45A 3qwpA-3rc0A:
12.1		 3qwpA-3rc0A:
22.59
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.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLY A 104
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 SAM  A1000 ( 4.5A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.46A 3qwpA-3smtA:
0.0		 3qwpA-3smtA:
24.64
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.
3ufk UNDA

(Shewanella sp.
HRCR_06) 		PF13435
(Cytochrome_C554) 		5 ARG A 536
GLY A 535
ASN A 539
CYH A 702
HIS A 709
 HEC  A 907 (-3.8A)
None
None
HEC  A 908 (-2.0A)
HEC  A 907 ( 3.1A)
 1.32A 3qwpA-3ufkA:
undetectable		 3qwpA-3ufkA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wai MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Escherichia
coli;
Archaeoglobus
fulgidus) 		PF13416
(SBP_bac_8) 		5 ARG A 563
GLY A 546
ASN A 568
HIS A 562
TYR A 523
 None
 1.22A 3qwpA-3waiA:
undetectable		 3qwpA-3waiA:
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.
3wmy EXTRACELLULAR
EXO-ALPHA-L-ARABINOF
URANOSIDASE

(Streptomyces
coelicolor) 		PF03664
(Glyco_hydro_62) 		5 ARG A 386
GLY A 382
ASN A 384
ASN A 416
PHE A 388
 None
 1.44A 3qwpA-3wmyA:
undetectable		 3qwpA-3wmyA:
20.88
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		5 GLY B 260
GLU B 503
ASN B 506
HIS B 467
PHE B 509
 None
None
None
CLA  B1231 (-3.9A)
CLA  B1223 (-4.4A)
 1.38A 3qwpA-4rkuB:
undetectable		 3qwpA-4rkuB:
18.77
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.
4yfv VIOF

(Providencia
alcalifaciens) 		PF00551
(Formyl_trans_N) 		5 ASN A 222
CYH A 195
ASN A 192
TYR A 224
PHE A 234
 None
 1.27A 3qwpA-4yfvA:
undetectable		 3qwpA-4yfvA:
18.89
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ARG B 339
GLY B 212
ASN B 211
ASN B 842
TYR B 838
 None
 1.45A 3qwpA-5fq6B:
undetectable		 3qwpA-5fq6B:
17.38
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.
5iai SUGAR ABC
TRANSPORTER

(Agrobacterium
tumefaciens) 		PF01547
(SBP_bac_1) 		5 ARG A 262
GLY A 261
ASN A  46
ASN A 199
TYR A  75
 None
 1.42A 3qwpA-5iaiA:
undetectable		 3qwpA-5iaiA:
19.75
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.
5kc8 GLUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF01094
(ANF_receptor) 		5 ARG A 300
GLY A 301
ASN A 302
ASN A 336
TYR A 328
 None
 1.14A 3qwpA-5kc8A:
undetectable		 3qwpA-5kc8A:
23.80
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.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		5 ARG A 786
GLY A 787
ASN A 788
ASN A 822
TYR A 814
 None
 1.19A 3qwpA-5kcaA:
undetectable		 3qwpA-5kcaA:
18.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		9 GLY A  18
GLU A 135
CYH A 181
ASN A 182
ASN A 206
HIS A 207
TYR A 240
TYR A 258
PHE A 260
 SAM  A 501 ( 4.1A)
SAM  A 501 (-3.3A)
SAM  A 501 ( 3.4A)
SAM  A 501 ( 3.8A)
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 0.65A 3qwpA-5kjmA:
43.2		 3qwpA-5kjmA:
32.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		6 GLY A  20
CYH A 181
ASN A 182
HIS A 207
TYR A 240
TYR A 258
 None
SAM  A 501 ( 3.4A)
SAM  A 501 ( 3.8A)
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
 1.17A 3qwpA-5kjmA:
43.2		 3qwpA-5kjmA:
32.81
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.
5l2e GLUTAMATE RECEPTOR
IONOTROPIC,
DELTA-2,GLUTAMATE
RECEPTOR IONOTROPIC,
DELTA-2

(Rattus
norvegicus) 		PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 ARG A 300
GLY A 301
ASN A 302
ASN A 336
TYR A 328
 None
 1.11A 3qwpA-5l2eA:
2.7		 3qwpA-5l2eA:
20.60
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.
5ls6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2

(Homo sapiens) 		PF00856
(SET)
PF11616
(EZH2_WD-Binding) 		5 GLY A 623
CYH A 663
ASN A 688
HIS A 689
TYR A 726
 74D  A 809 ( 3.9A)
74D  A 809 (-3.6A)
74D  A 809 (-3.0A)
None
None
 1.29A 3qwpA-5ls6A:
5.8		 3qwpA-5ls6A:
19.86
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.
5no7 LYTIC POLYSACCHARIDE
MONOOXYGENASE

(Trametes
cinnabarina) 		no annotation 5 GLY A  70
ASN A  68
ASN A  76
ASN A  13
HIS A   6
 None
None
NAG  A 304 (-1.8A)
NAG  A 301 (-1.9A)
None
 1.39A 3qwpA-5no7A:
undetectable		 3qwpA-5no7A:
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.
5wg6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,POLYCOMB
PROTEIN SUZ12
(E.C.2.1.1.43)
CHIMERA

(Homo sapiens) 		no annotation 5 GLY A 625
CYH A 695
ASN A 694
ASN A 688
HIS A 689
 A9G  A9009 ( 4.9A)
None
None
A9G  A9009 (-3.1A)
None
 1.20A 3qwpA-5wg6A:
4.7		 3qwpA-5wg6A:
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.
5xxg -

(-) 		no annotation 12 ARG A  14
GLY A  15
ASN A  16
GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 (-4.8A)
SAM  A 502 ( 3.9A)
SAM  A 502 (-4.4A)
SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.20A 3qwpA-5xxgA:
64.6		 3qwpA-5xxgA:
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.
5xxg -

(-) 		no annotation 5 GLU A 130
ASN A 132
CYH A 180
ASN A 181
ASN A  16
 SAM  A 502 (-4.9A)
SAM  A 502 (-3.2A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-4.4A)
 1.47A 3qwpA-5xxgA:
64.6		 3qwpA-5xxgA:
undetectable