SIMILAR PATTERNS OF AMINO ACIDS FOR 2H21_A_SAMA801

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.
1gl9 REVERSE GYRASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 GLU B 660
GLY B 805
LEU B 806
HIS B 659
TYR B 809
 None
 1.40A 2h21A-1gl9B:
undetectable		 2h21A-1gl9B:
18.79
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.
2asn NITROPHORIN 2

(Rhodnius
prolixus) 		PF02087
(Nitrophorin) 		5 GLU X 124
GLY X 125
ASN X 102
TYR X  85
TYR X 104
 None
None
None
HEM  X 201 (-3.6A)
HEM  X 201 (-4.3A)
 1.24A 2h21A-2asnX:
undetectable		 2h21A-2asnX:
17.73
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.
2bbz VIRAL CASP8 AND
FADD-LIKE APOPTOSIS
REGULATOR

(Molluscum
contagiosum
virus) 		PF01335
(DED) 		5 GLU A 105
GLY A 104
LEU A 107
SER A 134
ARG A 116
 None
 1.38A 2h21A-2bbzA:
undetectable		 2h21A-2bbzA:
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.
2ghi TRANSPORT PROTEIN

(Plasmodium
yoelii) 		PF00005
(ABC_tran) 		5 GLU A  73
GLY A  74
ARG A  68
TYR A  70
PHE A  25
 None
 1.44A 2h21A-2ghiA:
undetectable		 2h21A-2ghiA:
21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		10 GLU A  80
GLY A  81
LEU A  82
SER A 221
ARG A 222
ASN A 242
HIS A 243
TYR A 287
TYR A 300
PHE A 302
 None
SAM  A 801 (-3.7A)
SAM  A 801 (-3.7A)
SAM  A 801 (-4.3A)
SAM  A 801 (-3.3A)
SAM  A 801 (-2.9A)
SAM  A 801 (-4.9A)
SAM  A 801 (-4.8A)
None
SAM  A 801 (-3.9A)
 0.05A 2h21A-2h21A:
56.4		 2h21A-2h21A:
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.
2uvj ABC TYPE PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Yersinia
enterocolitica) 		PF13416
(SBP_bac_8) 		5 GLY A 344
LEU A 341
SER A 277
ASN A 270
TYR A 146
 None
 1.49A 2h21A-2uvjA:
undetectable		 2h21A-2uvjA:
22.77
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110) 		5 GLY A 780
LEU A 779
ARG A 769
ASN A 684
PHE A 638
 None
 1.14A 2h21A-2xvgA:
undetectable		 2h21A-2xvgA:
18.83
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 GLY A 411
LEU A 432
ARG A 397
TYR A 562
TYR A 407
 None
 1.12A 2h21A-3auoA:
undetectable		 2h21A-3auoA:
22.07
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.
3bnk FLAVOREDOXIN

(Methanosarcina
acetivorans) 		PF01613
(Flavin_Reduct) 		5 GLY A  22
LEU A  21
ASN A  70
TYR A 141
PHE A 100
 None
 1.43A 2h21A-3bnkA:
undetectable		 2h21A-3bnkA:
16.59
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.
3mjg BETA-TYPE
PLATELET-DERIVED
GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF00047
(ig)
PF13927
(Ig_3) 		5 GLY X  92
LEU X  93
ARG X  64
TYR X 117
PHE X 119
 None
 1.46A 2h21A-3mjgX:
undetectable		 2h21A-3mjgX:
20.44
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		6 GLY A  18
ASN A 205
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 SFG  A 491 ( 4.2A)
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 0.60A 2h21A-3n71A:
9.2		 2h21A-3n71A:
23.24
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
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)
 1.16A 2h21A-3n71A:
9.2		 2h21A-3n71A:
23.24
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
LEU A 203
HIS A 206
TYR A 252
PHE A 272
 None
None
None
SFG  A 491 (-4.8A)
SFG  A 491 (-3.7A)
 1.34A 2h21A-3n71A:
9.2		 2h21A-3n71A:
23.24
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.
3q8y NUCLEOSIDE
DIPHOSPHATE KINASE

(Staphylococcus
aureus) 		PF00334
(NDK) 		5 GLU A  76
GLY A  77
LEU A  30
ARG A 143
TYR A 139
 None
 1.44A 2h21A-3q8yA:
undetectable		 2h21A-3q8yA:
16.29
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.
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)
 0.71A 2h21A-3rc0A:
29.4		 2h21A-3rc0A:
25.81
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.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLY A  76
HIS A 252
TYR A 285
TYR A 297
PHE A 299
 None
None
SAM  A 484 (-4.8A)
None
SAM  A 484 (-3.5A)
 1.14A 2h21A-3rc0A:
29.4		 2h21A-3rc0A:
25.81
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.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		7 GLU A 103
GLY A 104
ARG A 253
ASN A 277
HIS A 278
TYR A 312
PHE A 326
 None
SAM  A1000 ( 4.5A)
SAM  A1000 (-2.7A)
SAM  A1000 (-3.2A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 0.69A 2h21A-3smtA:
31.8		 2h21A-3smtA:
27.15
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.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLY A 106
ARG A 253
HIS A 278
TYR A 312
PHE A 326
 None
SAM  A1000 (-2.7A)
None
SAM  A1000 (-4.8A)
SAM  A1000 (-3.6A)
 1.25A 2h21A-3smtA:
31.8		 2h21A-3smtA:
27.15
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.
3uow GMP SYNTHETASE

(Plasmodium
falciparum) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 GLY A 437
LEU A 438
SER A 262
ASN A 289
PHE A 343
 None
 1.45A 2h21A-3uowA:
undetectable		 2h21A-3uowA:
21.57
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.
3wso F-BOX ONLY PROTEIN
44

(Homo sapiens) 		PF04300
(FBA)
PF12937
(F-box-like) 		5 GLU A  89
GLY A  90
SER A  95
ASN A  84
HIS A  83
 None
 1.35A 2h21A-3wsoA:
undetectable		 2h21A-3wsoA:
19.41
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.
4ap5 GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2

(Homo sapiens) 		PF10250
(O-FucT) 		5 GLY A 290
LEU A 289
SER A 260
HIS A 257
PHE A 253
 None
 1.41A 2h21A-4ap5A:
undetectable		 2h21A-4ap5A:
24.12
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.
4gdf LARGE T ANTIGEN

(Macaca mulatta
polyomavirus 1) 		PF02217
(T_Ag_DNA_bind)
PF06431
(Polyoma_lg_T_C) 		5 GLU A 166
LEU A 170
HIS A 192
TYR A 162
PHE A 220
 None
 1.41A 2h21A-4gdfA:
undetectable		 2h21A-4gdfA:
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.
4rck HYPOTHETICAL
MEMBRANE SPANNING
PROTEIN

(Aliivibrio
fischeri) 		PF00092
(VWA) 		5 GLU A 105
GLY A 108
LEU A 107
HIS A  71
TYR A  73
 None
 1.20A 2h21A-4rckA:
undetectable		 2h21A-4rckA:
20.18
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		5 GLY A5408
LEU A5409
ASN A5474
HIS A5475
TYR A5512
 SAH  A5602 (-3.6A)
SAH  A5602 (-4.1A)
SAH  A5602 (-3.1A)
None
None
 0.25A 2h21A-4z4pA:
7.3		 2h21A-4z4pA:
14.97
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.
5cpr HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1

(Homo sapiens) 		PF00856
(SET) 		5 SER B 251
ASN B 272
HIS B 273
TYR B 307
PHE B 312
 SAM  B 402 (-3.9A)
SAM  B 402 (-3.1A)
SAM  B 402 (-4.5A)
539  B 403 ( 3.9A)
SAM  B 402 (-3.7A)
 1.33A 2h21A-5cprB:
6.4		 2h21A-5cprB:
21.35
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.
5d0f UNCHARACTERIZED
PROTEIN

([Candida]
glabrata) 		PF06202
(GDE_C)
PF14699
(hGDE_N)
PF14701
(hDGE_amylase)
PF14702
(hGDE_central) 		5 GLY A 250
LEU A 502
TYR A 488
TYR A 451
PHE A 452
 None
 1.35A 2h21A-5d0fA:
undetectable		 2h21A-5d0fA:
15.55
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C

(Homo sapiens) 		PF00856
(SET) 		5 GLY A4782
LEU A4783
ASN A4848
HIS A4849
TYR A4886
 SAH  A5002 (-3.5A)
SAH  A5002 (-4.3A)
SAH  A5002 (-2.7A)
SAH  A5002 (-4.6A)
None
 0.33A 2h21A-5f59A:
7.2		 2h21A-5f59A:
15.79
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 GLU A 210
GLY A 537
LEU A 535
HIS A 519
PHE A 546
 None
 1.47A 2h21A-5f7cA:
undetectable		 2h21A-5f7cA:
21.40
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.
5j1k TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 GLY A 237
LEU A 174
SER A 146
TYR A 145
PHE A 170
 None
 1.25A 2h21A-5j1kA:
undetectable		 2h21A-5j1kA:
18.20
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.
5j1l TOXR-ACTIVATED GENE
(TAGE)

(Helicobacter
pylori) 		PF01551
(Peptidase_M23) 		5 GLY B 237
LEU B 174
SER B 146
TYR B 145
PHE B 170
 None
 1.22A 2h21A-5j1lB:
undetectable		 2h21A-5j1lB:
17.53
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		6 GLY A  18
ASN A 206
HIS A 207
TYR A 240
TYR A 258
PHE A 260
 SAM  A 501 ( 4.1A)
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 0.63A 2h21A-5kjmA:
10.5		 2h21A-5kjmA:
23.40
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
HIS A 207
TYR A 240
TYR A 258
PHE A 260
 None
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 1.17A 2h21A-5kjmA:
10.5		 2h21A-5kjmA:
23.40
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  20
LEU A  21
TYR A 240
TYR A 258
PHE A 260
 None
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 1.46A 2h21A-5kjmA:
10.5		 2h21A-5kjmA:
23.40
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.
5tuy HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT2

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1049
SER A1084
ASN A1112
HIS A1113
TYR A1154
 SAM  A1505 ( 3.9A)
SAM  A1505 (-3.8A)
SAM  A1505 (-3.4A)
SAM  A1505 (-4.7A)
SAM  A1505 (-4.9A)
 0.52A 2h21A-5tuyA:
6.0		 2h21A-5tuyA:
21.28
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.
5vsd HISTONE-LYSINE
N-METHYLTRANSFERASE
EHMT1

(Homo sapiens) 		PF00856
(SET)
PF05033
(Pre-SET) 		5 GLY A1137
SER A1172
ASN A1200
HIS A1201
TYR A1242
 SAM  A3001 (-3.6A)
SAM  A3001 (-3.7A)
SAM  A3001 (-3.4A)
SAM  A3001 (-4.6A)
SAM  A3001 (-4.8A)
 0.52A 2h21A-5vsdA:
7.2		 2h21A-5vsdA:
19.41
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.
5xxg -

(-) 		no annotation 6 GLY A  15
ASN A 205
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.59A 2h21A-5xxgA:
10.2		 2h21A-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 GLY A  17
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.07A 2h21A-5xxgA:
10.2		 2h21A-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 GLY A  17
LEU A  18
TYR A 239
TYR A 257
PHE A 259
 None
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 1.37A 2h21A-5xxgA:
10.2		 2h21A-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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 5 GLY A 478
ASN A  68
TYR A  33
TYR A 484
PHE A  11
 None
 1.35A 2h21A-5z5dA:
undetectable		 2h21A-5z5dA:
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 5 GLY A 444
LEU A 443
SER A 411
HIS A 417
TYR A 414
 None
 1.40A 2h21A-6bszA:
undetectable		 2h21A-6bszA:
undetectable