SIMILAR PATTERNS OF AMINO ACIDS FOR 6HUP_E_DZPE502_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.
1jmo HEPARIN COFACTOR II

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 468
LEU A 186
MET A 143
THR A 141
LEU A 162
 None
 1.38A 6hupD-1jmoA:
0.0
6hupE-1jmoA:
undetectable		 6hupD-1jmoA:
10.87
6hupE-1jmoA:
11.11
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.
1k3v CAPSID PROTEIN VP2

(Ungulate
protoparvovirus
1) 		PF00740
(Parvo_coat) 		5 PRO A 369
THR A 339
ASN A 338
LEU A 444
MET A 441
 None
 1.13A 6hupD-1k3vA:
undetectable
6hupE-1k3vA:
0.0		 6hupD-1k3vA:
9.79
6hupE-1k3vA:
8.73
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.
1sy7 CATALASE 1

(Neurospora
crassa) 		PF00199
(Catalase)
PF01965
(DJ-1_PfpI)
PF06628
(Catalase-rel) 		5 LEU A 490
MET A 502
LEU A 513
MET A 216
THR A 218
 None
 1.41A 6hupD-1sy7A:
0.0
6hupE-1sy7A:
0.0		 6hupD-1sy7A:
8.96
6hupE-1sy7A:
8.01
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.
1tyg THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Bacillus
subtilis) 		PF05690
(ThiG) 		5 LEU A 230
PRO A 231
MET A 252
LEU A 243
THR A 215
 None
 1.29A 6hupD-1tygA:
undetectable
6hupE-1tygA:
undetectable		 6hupD-1tygA:
15.81
6hupE-1tygA:
13.90
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.
1w98 G1/S-SPECIFIC CYCLIN
E1

(Homo sapiens) 		PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		5 PRO B  89
LEU B  90
MET B 239
LEU B 289
MET B 298
 None
 1.44A 6hupD-1w98B:
undetectable
6hupE-1w98B:
0.8		 6hupD-1w98B:
14.08
6hupE-1w98B:
15.77
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.
2ec5 DERMONECROTIC TOXIN

(Pasteurella
multocida) 		PF11647
(MLD) 		5 MET A1056
LEU A1045
ASN A1021
LEU A 864
MET A 865
 None
 1.42A 6hupD-2ec5A:
0.0
6hupE-2ec5A:
3.8		 6hupD-2ec5A:
7.33
6hupE-2ec5A:
7.42
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.
2ejw HOMOSERINE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00742
(Homoserine_dh)
PF03447
(NAD_binding_3) 		5 LEU A  83
PRO A  80
LEU A 101
THR A  96
LEU A   8
 None
 1.48A 6hupD-2ejwA:
0.0
6hupE-2ejwA:
0.0		 6hupD-2ejwA:
14.05
6hupE-2ejwA:
12.05
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.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		5 LEU A 251
LEU A 106
MET A 281
THR A 282
LEU A 264
 None
 1.27A 6hupD-2x5fA:
0.0
6hupE-2x5fA:
0.0		 6hupD-2x5fA:
11.66
6hupE-2x5fA:
11.16
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.
3q80 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01128
(IspD) 		5 LEU A 175
LEU A 196
THR A  84
ASN A  88
LEU A  89
 None
 1.40A 6hupD-3q80A:
undetectable
6hupE-3q80A:
undetectable		 6hupD-3q80A:
14.35
6hupE-3q80A:
13.85
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.
3r18 SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 LEU A 124
PRO A 119
LEU A 107
THR A 137
LEU A 183
 None
None
None
MTE  A 501 (-4.2A)
None
 1.41A 6hupD-3r18A:
0.0
6hupE-3r18A:
1.8		 6hupD-3r18A:
10.76
6hupE-3r18A:
10.92
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.
3w04 DWARF 88 ESTERASE

(Oryza sativa) 		PF12697
(Abhydrolase_6) 		5 LEU A 249
PRO A 174
MET A 151
LEU A 177
PHE A 176
 None
None
None
None
MPD  A 401 ( 3.7A)
 1.45A 6hupD-3w04A:
undetectable
6hupE-3w04A:
undetectable		 6hupD-3w04A:
15.27
6hupE-3w04A:
14.56
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		5 LEU A2016
LEU A1963
THR A2022
ASN A2021
MET A2063
 None
 1.42A 6hupD-4c0dA:
3.1
6hupE-4c0dA:
2.6		 6hupD-4c0dA:
7.98
6hupE-4c0dA:
7.50
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		5 LEU A2016
LEU A1963
THR A2022
ASN A2021
PHE A2023
 None
 1.15A 6hupD-4c0dA:
3.1
6hupE-4c0dA:
2.6		 6hupD-4c0dA:
7.98
6hupE-4c0dA:
7.50
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.
4ffl PYLC

(Methanosarcina
barkeri) 		PF02655
(ATP-grasp_3) 		5 LEU A  11
MET A 334
THR A 333
LEU A 289
MET A 290
 LYS  A 901 (-3.6A)
None
None
None
None
 1.28A 6hupD-4fflA:
undetectable
6hupE-4fflA:
undetectable		 6hupD-4fflA:
13.20
6hupE-4fflA:
16.55
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.
4uvj COHESIN SUBUNIT SCC3

(Saccharomyces
cerevisiae) 		no annotation 5 PRO A 841
MET A 843
LEU A 910
LEU A 833
PHE A 836
 None
 1.07A 6hupD-4uvjA:
0.0
6hupE-4uvjA:
0.0		 6hupD-4uvjA:
12.95
6hupE-4uvjA:
10.45
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.
4wpz CYTOCHROME P450

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 LEU A 285
PRO A 284
LEU A  22
ASN A 322
LEU A 344
 HEM  A 503 (-4.3A)
None
None
None
None
 1.42A 6hupD-4wpzA:
1.4
6hupE-4wpzA:
1.3		 6hupD-4wpzA:
12.67
6hupE-4wpzA:
10.66
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.
5fu7 CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		5 LEU A2016
LEU A1963
THR A2022
ASN A2021
PHE A2023
 None
 1.18A 6hupD-5fu7A:
1.9
6hupE-5fu7A:
4.1		 6hupD-5fu7A:
11.88
6hupE-5fu7A:
9.19
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.
5hzg STRIGOLACTONE
ESTERASE D14

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 LEU A 199
PRO A 124
MET A 101
LEU A 127
PHE A 126
 None
 1.50A 6hupD-5hzgA:
undetectable
6hupE-5hzgA:
undetectable		 6hupD-5hzgA:
15.36
6hupE-5hzgA:
14.55
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.
5hzg STRIGOLACTONE
ESTERASE D14

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		5 LEU A 199
PRO A 124
MET A 101
LEU A 229
PHE A 126
 None
 1.48A 6hupD-5hzgA:
undetectable
6hupE-5hzgA:
undetectable		 6hupD-5hzgA:
15.36
6hupE-5hzgA:
14.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 LEU B 232
PRO B 233
LEU B 269
THR A 266
LEU A 285
MET A 286
 None
 1.23A 6hupD-6d6uB:
35.0
6hupE-6d6uB:
33.2		 6hupD-6d6uB:
100.00
6hupE-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 LEU B 232
PRO B 233
MET A 261
ASN A 265
LEU A 285
MET A 286
 None
 1.35A 6hupD-6d6uB:
35.0
6hupE-6d6uB:
33.2		 6hupD-6d6uB:
100.00
6hupE-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		7 LEU B 232
PRO B 233
MET A 261
THR A 262
ASN A 265
LEU A 285
PHE A 289
 None
 1.00A 6hupD-6d6uB:
35.0
6hupE-6d6uB:
33.2		 6hupD-6d6uB:
100.00
6hupE-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 LEU B 232
PRO B 233
MET B 236
ASN A 265
MET A 286
 None
 1.26A 6hupD-6d6uB:
35.0
6hupE-6d6uB:
33.2		 6hupD-6d6uB:
100.00
6hupE-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		5 LEU B 232
PRO B 233
MET B 236
LEU B 269
MET A 286
 None
 1.31A 6hupD-6d6uB:
35.0
6hupE-6d6uB:
33.2		 6hupD-6d6uB:
100.00
6hupE-6d6uB:
28.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6d6u GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-2,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT BETA-2
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		6 LEU B 232
PRO B 233
MET B 236
THR A 262
ASN A 265
PHE A 289
 None
 1.13A 6hupD-6d6uB:
35.0
6hupE-6d6uB:
33.2		 6hupD-6d6uB:
100.00
6hupE-6d6uB:
28.75