SIMILAR PATTERNS OF AMINO ACIDS FOR 5ARF_A_SAMA1002_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.
1qox BETA-GLUCOSIDASE

(Bacillus
circulans) 		PF00232
(Glyco_hydro_1) 		5 GLY A 446
ARG A 445
ALA A 380
TYR A 399
PHE A  10
 None
 1.25A 5arfA-1qoxA:
0.0		 5arfA-1qoxA:
21.13
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.
1u02 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE
RELATED PROTEIN

(Thermoplasma
acidophilum) 		PF02358
(Trehalose_PPase) 		5 LYS A 197
GLY A 178
ASN A 190
ALA A 189
HIS A 204
 None
 1.46A 5arfA-1u02A:
0.0		 5arfA-1u02A:
18.31
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.
1xr4 PUTATIVE CITRATE
LYASE ALPHA
CHAIN/CITRATE-ACP
TRANSFERASE

(Salmonella
enterica) 		PF04223
(CitF) 		5 GLU A 358
CYH A 357
ALA A 397
HIS A 142
TYR A 347
 None
 1.23A 5arfA-1xr4A:
undetectable		 5arfA-1xr4A:
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.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLY A  81
HIS A 243
TYR A 287
TYR A 300
PHE A 302
 SAM  A 801 (-3.7A)
SAM  A 801 (-4.9A)
SAM  A 801 (-4.8A)
None
SAM  A 801 (-3.9A)
 0.76A 5arfA-2h21A:
9.7		 5arfA-2h21A:
23.60
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.
2vzz RV0802C

(Mycobacterium
tuberculosis) 		PF13302
(Acetyltransf_3) 		5 GLY A 110
ARG A 127
ALA A 153
HIS A  39
PHE A  46
 SCA  A 601 (-3.3A)
SCA  A 601 (-3.5A)
SCA  A 601 (-3.6A)
None
SCA  A 601 (-4.4A)
 1.42A 5arfA-2vzzA:
undetectable		 5arfA-2vzzA:
18.85
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.
2wj9 INTERGENIC-REGION
PROTEIN

(Escherichia
coli) 		PF03230
(Antirestrict) 		5 GLU A  50
ALA A 115
HIS A 135
TYR A 120
PHE A  40
 None
 1.48A 5arfA-2wj9A:
undetectable		 5arfA-2wj9A:
17.43
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.
3e03 SHORT CHAIN
DEHYDROGENASE

(Xanthomonas
campestris) 		PF13561
(adh_short_C2) 		5 ASN A 122
ALA A 101
HIS A 162
TYR A 165
PHE A 271
 None
None
CA  A   1 (-3.7A)
None
None
 1.50A 5arfA-3e03A:
undetectable		 5arfA-3e03A:
19.27
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'
DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus;
Sulfolobus
solfataricus) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 GLY B1068
HIS A  71
CYH A  61
ASN B1073
HIS B1082
 None
ZN  A1001 (-3.2A)
ZN  A1001 ( 3.9A)
None
None
 1.32A 5arfA-3hkzB:
0.0		 5arfA-3hkzB:
16.77
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 LYS A  17
GLY A  16
HIS A 206
TYR A 270
PHE A 272
 SFG  A 491 (-4.7A)
None
None
None
SFG  A 491 (-3.7A)
 1.47A 5arfA-3n71A:
39.0		 5arfA-3n71A:
30.63
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) 		9 LYS A  17
GLY A  18
ARG A  19
HIS A 135
ASN A 180
HIS A 206
TYR A 252
TYR A 270
PHE A 272
 SFG  A 491 (-4.7A)
SFG  A 491 ( 4.2A)
SFG  A 491 (-3.9A)
SFG  A 491 (-3.8A)
SFG  A 491 (-4.3A)
None
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 0.66A 5arfA-3n71A:
39.0		 5arfA-3n71A:
30.63
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.
3qv9 PYRUVATE KINASE 2

(Trypanosoma
cruzi) 		PF00224
(PK)
PF02887
(PK_C) 		5 GLY A 488
GLU A 378
CYH A 382
ALA A 407
HIS A 481
 None
 1.27A 5arfA-3qv9A:
undetectable		 5arfA-3qv9A:
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.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLY A  74
HIS A 252
TYR A 285
TYR A 297
PHE A 299
 SAM  A 484 (-3.4A)
None
SAM  A 484 (-4.8A)
None
SAM  A 484 (-3.5A)
 0.63A 5arfA-3rc0A:
0.4		 5arfA-3rc0A:
22.11
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.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 HIS A 155
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 5arfA-3rc0A:
0.4		 5arfA-3rc0A:
22.11
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.
4iql ENOYL-(ACYL-CARRIER-
PROTEIN) REDUCTASE
II

(Porphyromonas
gingivalis) 		PF03060
(NMO) 		5 LYS A 263
GLY A 260
GLU A 275
ASN A 234
HIS A 204
 NDP  A 403 (-2.7A)
NDP  A 403 (-3.8A)
None
None
GOL  A 404 (-4.9A)
 1.30A 5arfA-4iqlA:
undetectable		 5arfA-4iqlA:
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.
4lzi MULTICYSTATIN

(Solanum
tuberosum) 		PF00031
(Cystatin) 		5 LYS A 161
GLY A 160
GLU A 133
ASN A 125
ALA A 130
 None
 1.18A 5arfA-4lziA:
undetectable		 5arfA-4lziA:
22.53
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.
4lzi MULTICYSTATIN

(Solanum
tuberosum) 		PF00031
(Cystatin) 		5 LYS A 161
GLY A 160
GLU A 133
ASN A 125
TYR A 165
 None
 1.39A 5arfA-4lziA:
undetectable		 5arfA-4lziA:
22.53
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.
4nek ENOYL-COA
HYDRATASE/CARNITHINE
RACEMASE

(Magnetospirillum
magneticum) 		PF00378
(ECH_1) 		5 GLY A  11
ARG A 191
GLU A  10
HIS A   8
ALA A 186
 None
 1.44A 5arfA-4nekA:
undetectable		 5arfA-4nekA:
19.46
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.
4rkk LAFORIN

(Homo sapiens) 		PF00686
(CBM_20)
PF00782
(DSPc) 		5 GLY A 271
ARG A 272
ASN A 201
HIS A 156
PHE A 145
 GLC  A 406 ( 3.3A)
PO4  A 401 ( 3.7A)
None
None
None
 1.03A 5arfA-4rkkA:
undetectable		 5arfA-4rkkA:
21.29
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.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE

(Eimeria tenella) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		5 GLY A 348
ARG A 133
HIS A  85
ASN A 167
TYR A 401
 None
 1.30A 5arfA-4ysjA:
1.8		 5arfA-4ysjA:
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.
5jpz SQUAMOUS CELL
CARCINOMA ANTIGEN
RECOGNIZED BY
T-CELLS 3

(Homo sapiens) 		no annotation 5 ARG A 132
ALA A 160
TYR A 192
TYR A 170
PHE A 173
 None
 1.43A 5arfA-5jpzA:
4.6		 5arfA-5jpzA:
21.76
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) 		12 LYS A  17
GLY A  18
ARG A  19
GLU A 135
HIS A 137
CYH A 181
ASN A 182
ALA A 203
HIS A 207
TYR A 240
TYR A 258
PHE A 260
 None
SAM  A 501 ( 4.1A)
SAM  A 501 (-3.7A)
SAM  A 501 (-3.3A)
SAM  A 501 (-3.9A)
SAM  A 501 ( 3.4A)
SAM  A 501 ( 3.8A)
SAM  A 501 (-4.2A)
None
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 0.50A 5arfA-5kjmA:
58.6		 5arfA-5kjmA:
98.85
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.
5mrj BETA-XYLANASE

(Acremonium
chrysogenum) 		no annotation 5 LYS A 273
GLU A 280
ASN A 283
ALA A 323
PHE A 223
 None
 1.47A 5arfA-5mrjA:
undetectable		 5arfA-5mrjA:
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.
5teg N-LYSINE
METHYLTRANSFERASE
KMT5A

(Homo sapiens) 		PF00856
(SET) 		5 LYS A 226
GLY A 227
ARG A 228
HIS A 299
TYR A 336
 SAM  A 401 (-4.6A)
SAM  A 401 ( 4.0A)
SAM  A 401 (-3.7A)
None
SAM  A 401 (-4.8A)
 0.78A 5arfA-5tegA:
7.1		 5arfA-5tegA:
17.75
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.
5xxg -

(-) 		no annotation 8 GLY A  15
GLU A 130
CYH A 180
ASN A 181
HIS A 206
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-4.9A)
SAM  A 502 (-4.1A)
SAM  A 502 ( 4.1A)
None
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.48A 5arfA-5xxgA:
43.9		 5arfA-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
ASN A 181
HIS A 206
TYR A 239
TYR A 257
 None
SAM  A 502 ( 4.1A)
None
8HR  A 501 ( 4.0A)
None
 1.11A 5arfA-5xxgA:
43.9		 5arfA-5xxgA:
undetectable