SIMILAR PATTERNS OF AMINO ACIDS FOR 5CZ7_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
GLN H  22
LYS H  33
ALA H  46
ALA H  49
 None
 0.81A 5cz7H-1q5qH:
24.1
5cz7I-1q5qH:
24.5		 5cz7H-1q5qH:
26.48
5cz7I-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.
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
 0.25A 5cz7H-1q5qH:
24.1
5cz7I-1q5qH:
24.5		 5cz7H-1q5qH:
26.48
5cz7I-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.
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
 0.85A 5cz7H-2fhgH:
23.5
5cz7I-2fhgH:
23.9		 5cz7H-2fhgH:
26.85
5cz7I-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
 0.40A 5cz7H-2fhgH:
23.5
5cz7I-2fhgH:
23.9		 5cz7H-2fhgH:
26.85
5cz7I-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
 1.48A 5cz7H-2z0jA:
undetectable
5cz7I-2z0jA:
0.0		 5cz7H-2z0jA:
23.37
5cz7I-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
 1.44A 5cz7H-3gycA:
undetectable
5cz7I-3gycA:
0.0		 5cz7H-3gycA:
19.64
5cz7I-3gycA:
21.12
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) 		6 THR H   1
CYH H  31
LYS H  33
ALA H  46
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 ( 3.7A)
04C  H 301 (-3.5A)
04C  H 301 ( 4.3A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.63A 5cz7H-3unfH:
33.9
5cz7I-3unfH:
28.7		 5cz7H-3unfH:
46.78
5cz7I-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
 1.23A 5cz7H-4mifA:
0.0
5cz7I-4mifA:
undetectable		 5cz7H-4mifA:
16.99
5cz7I-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
 1.34A 5cz7H-4nlmA:
0.2
5cz7I-4nlmA:
0.0		 5cz7H-4nlmA:
19.11
5cz7I-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) 		7 THR H   1
CYH H  31
LYS H  33
ALA H  46
THR H  48
ALA H  49
THR H  52
 None
 0.34A 5cz7H-5fg9H:
36.7
5cz7I-5fg9H:
22.1		 5cz7H-5fg9H:
98.31
5cz7I-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) 		7 THR H   1
GLN H  22
CYH H  31
ALA H  46
THR H  48
ALA H  49
THR H  52
 None
 0.92A 5cz7H-5fg9H:
36.7
5cz7I-5fg9H:
22.1		 5cz7H-5fg9H:
98.31
5cz7I-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) 		7 THR H   1
SER H  20
CYH H  31
LYS H  33
ALA H  46
ALA H  49
THR H  52
 None
 0.62A 5cz7H-5fg9H:
36.7
5cz7I-5fg9H:
22.1		 5cz7H-5fg9H:
98.31
5cz7I-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) 		7 THR H   1
SER H  20
GLN H  22
CYH H  31
ALA H  46
ALA H  49
THR H  52
 None
 0.99A 5cz7H-5fg9H:
36.7
5cz7I-5fg9H:
22.1		 5cz7H-5fg9H:
98.31
5cz7I-5fg9H:
23.62
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.
5h3l METHYLGLYOXAL
SYNTHASE

(synthetic
construct) 		PF02142
(MGS) 		5 GLN A  77
ALA A  18
THR A  45
ALA A  44
THR A  48
 None
CME  A  22 ( 3.9A)
None
None
None
 1.50A 5cz7H-5h3lA:
0.0
5cz7I-5h3lA:
undetectable		 5cz7H-5h3lA:
19.23
5cz7I-5h3lA:
23.79
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE
ARSENITE OXIDASE
SMALL SUBUNIT AIOB
RIESKE [2FE-2S]
CLUSTER

(Rhizobium sp.
NT-26) 		no annotation 5 GLN B 140
CYH A 291
THR A 242
ALA A 239
THR A 237
 None
None
MGD  A2002 (-3.0A)
None
MGD  A2002 (-4.4A)
 1.39A 5cz7H-5nqdB:
undetectable
5cz7I-5nqdB:
undetectable		 5cz7H-5nqdB:
16.59
5cz7I-5nqdB:
17.93
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) 		7 THR O   1
CYH O  31
LYS O  33
ALA O  46
THR O  48
ALA O  49
THR O  52
 None
 1.02A 5cz7H-5t0hO:
28.8
5cz7I-5t0hO:
26.2		 5cz7H-5t0hO:
56.17
5cz7I-5t0hO:
20.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6avo PROTEASOME SUBUNIT
BETA TYPE-10

(Homo sapiens) 		no annotation 5 THR B   1
CYH B  31
LYS B  33
ALA B  46
ALA B  49
 None
 1.00A 5cz7H-6avoB:
22.1
5cz7I-6avoB:
19.3		 5cz7H-6avoB:
43.40
5cz7I-6avoB:
19.10