SIMILAR PATTERNS OF AMINO ACIDS FOR 4QVW_H_BO2H301_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.
1q5q PROTEASOME BETA-TYPE
SUBUNIT 1

(Rhodococcus
erythropolis) 		PF00227
(Proteasome) 		5 THR H   1
LYS H  33
ALA H  46
THR H  48
ALA H  49
 None
 0.30A 4qvwH-1q5qH:
24.0
4qvwI-1q5qH:
24.5		 4qvwH-1q5qH:
26.48
4qvwI-1q5qH:
26.64
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.
2b7n PROBABLE
NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Helicobacter
pylori) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 SER A 100
ALA A 263
THR A 105
ALA A 104
THR A 107
 None
 1.32A 4qvwH-2b7nA:
undetectable
4qvwI-2b7nA:
undetectable		 4qvwH-2b7nA:
23.71
4qvwI-2b7nA:
22.73
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 6 THR H 301
SER H 320
GLN H 322
LYS H 333
ALA H 346
ALA H 349
 None
 0.86A 4qvwH-2fhgH:
23.4
4qvwI-2fhgH:
23.9		 4qvwH-2fhgH:
26.85
4qvwI-2fhgH:
23.05
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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 6 THR H 301
SER H 320
LYS H 333
ALA H 346
THR H 348
ALA H 349
 None
 0.45A 4qvwH-2fhgH:
23.4
4qvwI-2fhgH:
23.9		 4qvwH-2fhgH:
26.85
4qvwI-2fhgH:
23.05
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		5 SER A 218
GLN A 214
ALA A 116
THR A  29
ALA A  32
 None
 1.47A 4qvwH-2z0jA:
undetectable
4qvwI-2z0jA:
undetectable		 4qvwH-2z0jA:
23.37
4qvwI-2z0jA:
23.39
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.
3gyc PUTATIVE GLYCOSIDE
HYDROLASE

(Parabacteroides
distasonis) 		PF12876
(Cellulase-like) 		5 THR A 393
ALA A  44
THR A  46
ALA A 370
CYH A 332
 None
 1.45A 4qvwH-3gycA:
undetectable
4qvwI-3gycA:
0.0		 4qvwH-3gycA:
19.64
4qvwI-3gycA:
21.12
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.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		5 SER A 158
LYS A 119
ALA A 115
THR A 113
ALA A 163
 None
 1.33A 4qvwH-3rhaA:
undetectable
4qvwI-3rhaA:
0.0		 4qvwH-3rhaA:
20.76
4qvwI-3rhaA:
19.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3unf PROTEASOME SUBUNIT
BETA TYPE-10

(Mus musculus) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		5 THR H   1
LYS H  33
ALA H  46
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 (-3.5A)
04C  H 301 ( 4.3A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.42A 4qvwH-3unfH:
33.9
4qvwI-3unfH:
28.7		 4qvwH-3unfH:
46.78
4qvwI-3unfH:
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.
4mif PYRANOSE 2-OXIDASE

(Phanerochaete
chrysosporium) 		PF05199
(GMC_oxred_C) 		5 THR A 557
GLN A 505
ALA A 334
ALA A 336
ASP A 499
 None
None
None
FDA  A 801 (-3.4A)
None
 1.19A 4qvwH-4mifA:
0.0
4qvwI-4mifA:
undetectable		 4qvwH-4mifA:
16.99
4qvwI-4mifA:
15.87
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.
4nlm LMO1340 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 THR A 137
SER A  92
THR A 115
ALA A 114
THR A 132
 None
 1.31A 4qvwH-4nlmA:
0.2
4qvwI-4nlmA:
0.0		 4qvwH-4nlmA:
19.11
4qvwI-4nlmA:
20.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
GLN H  22
ALA H  46
THR H  48
ALA H  49
THR H  52
 None
 0.82A 4qvwH-5fg9H:
36.8
4qvwI-5fg9H:
22.1		 4qvwH-5fg9H:
98.31
4qvwI-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
LYS H  33
ALA H  46
THR H  48
ALA H  49
THR H  52
 None
 0.23A 4qvwH-5fg9H:
36.8
4qvwI-5fg9H:
22.1		 4qvwH-5fg9H:
98.31
4qvwI-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
SER H  20
GLN H  22
ALA H  46
ALA H  49
THR H  52
 None
 0.96A 4qvwH-5fg9H:
36.8
4qvwI-5fg9H:
22.1		 4qvwH-5fg9H:
98.31
4qvwI-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fg9 PROTEASOME SUBUNIT
BETA TYPE-2

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR H   1
SER H  20
LYS H  33
ALA H  46
ALA H  49
THR H  52
 None
 0.64A 4qvwH-5fg9H:
36.8
4qvwI-5fg9H:
22.1		 4qvwH-5fg9H:
98.31
4qvwI-5fg9H:
23.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fmg BETA3 PROTEASOME
SUBUNIT, PUTATIVE
PROTEASOME SUBUNIT
BETA TYPE

(Plasmodium
falciparum) 		PF00227
(Proteasome) 		5 THR I   1
LYS I  33
ALA I  46
ALA I  49
ASP J 138
 7F1  I 300 (-2.7A)
7F1  I 300 (-4.7A)
None
7F1  I 300 (-3.5A)
7F1  I 300 (-2.6A)
 1.20A 4qvwH-5fmgI:
28.7
4qvwI-5fmgI:
26.6		 4qvwH-5fmgI:
48.94
4qvwI-5fmgI:
21.96
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.
5jfm ALDEHYDE
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00171
(Aldedh) 		5 THR A 201
SER A 230
THR A 197
ALA A 226
THR A 144
 None
None
1VU  A 601 ( 4.8A)
None
None
 1.28A 4qvwH-5jfmA:
0.0
4qvwI-5jfmA:
0.3		 4qvwH-5jfmA:
20.84
4qvwI-5jfmA:
17.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t0h PROTEASOME SUBUNIT
BETA TYPE-7

(Homo sapiens) 		PF00227
(Proteasome)
PF12465
(Pr_beta_C) 		6 THR O   1
LYS O  33
ALA O  46
THR O  48
ALA O  49
THR O  52
 None
 1.03A 4qvwH-5t0hO:
28.8
4qvwI-5t0hO:
26.2		 4qvwH-5t0hO:
56.17
4qvwI-5t0hO:
20.94
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.
6dfp VCA0883

(Vibrio cholerae) 		no annotation 5 THR A 214
SER A 225
ALA A 216
ALA A 218
THR A 220
 None
 1.18A 4qvwH-6dfpA:
undetectable
4qvwI-6dfpA:
undetectable		 4qvwH-6dfpA:
17.27
4qvwI-6dfpA:
21.94