SIMILAR PATTERNS OF AMINO ACIDS FOR 4QW3_V_BO2V301_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
 0.71A 4qw3V-1q5qH:
25.7
4qw3W-1q5qH:
24.3		 4qw3V-1q5qH:
26.48
4qw3W-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
 0.28A 4qw3V-1q5qH:
25.7
4qw3W-1q5qH:
24.3		 4qw3V-1q5qH:
26.48
4qw3W-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.
1ska 3-PHYTASE A

(Aspergillus
fumigatus) 		PF00328
(His_Phos_2) 		5 THR A 106
ALA A 247
THR A 249
ALA A 252
THR A 245
 None
 1.31A 4qw3V-1skaA:
0.0
4qw3W-1skaA:
undetectable		 4qw3V-1skaA:
18.65
4qw3W-1skaA:
19.72
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
 1.33A 4qw3V-2b7nA:
undetectable
4qw3W-2b7nA:
0.0		 4qw3V-2b7nA:
23.71
4qw3W-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
 0.78A 4qw3V-2fhgH:
25.1
4qw3W-2fhgH:
23.8		 4qw3V-2fhgH:
26.85
4qw3W-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
 0.42A 4qw3V-2fhgH:
25.1
4qw3W-2fhgH:
23.8		 4qw3V-2fhgH:
26.85
4qw3W-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.
2p2s PUTATIVE
OXIDOREDUCTASE

(Pectobacterium
atrosepticum) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 THR A 203
CYH A 234
ALA A 331
THR A 200
ALA A 220
 None
 1.48A 4qw3V-2p2sA:
0.4
4qw3W-2p2sA:
0.2		 4qw3V-2p2sA:
20.80
4qw3W-2p2sA:
22.12
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.
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
 1.45A 4qw3V-2z0jA:
undetectable
4qw3W-2z0jA:
undetectable		 4qw3V-2z0jA:
23.37
4qw3W-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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 GLN A  74
ALA A 433
THR A 435
ALA A 438
THR A 437
 FAD  A 600 ( 4.7A)
None
FAD  A 600 (-3.4A)
None
None
 1.15A 4qw3V-2z5xA:
0.0
4qw3W-2z5xA:
undetectable		 4qw3V-2z5xA:
18.93
4qw3W-2z5xA:
15.58
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
 1.43A 4qw3V-3gycA:
undetectable
4qw3W-3gycA:
0.0		 4qw3V-3gycA:
19.64
4qw3W-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)
 0.61A 4qw3V-3unfH:
35.6
4qw3W-3unfH:
28.5		 4qw3V-3unfH:
46.78
4qw3W-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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		5 SER A 223
ALA A 265
THR A 286
ALA A 283
THR A 282
 None
 1.25A 4qw3V-4m1rA:
undetectable
4qw3W-4m1rA:
undetectable		 4qw3V-4m1rA:
22.19
4qw3W-4m1rA:
21.97
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.
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
 1.22A 4qw3V-4mifA:
0.0
4qw3W-4mifA:
0.7		 4qw3V-4mifA:
16.99
4qw3W-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
 1.30A 4qw3V-4nlmA:
undetectable
4qw3W-4nlmA:
undetectable		 4qw3V-4nlmA:
19.11
4qw3W-4nlmA:
20.16
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.
4yla AROMATIC
PRENYLTRANSFERASE

(Marinactinospora
thermotolerans) 		PF11991
(Trp_DMAT) 		5 CYH A 366
ALA A 369
ALA A 337
THR A 338
CYH A  42
 None
 1.48A 4qw3V-4ylaA:
undetectable
4qw3W-4ylaA:
0.2		 4qw3V-4ylaA:
18.93
4qw3W-4ylaA:
20.51
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
 0.30A 4qw3V-5fg9H:
37.1
4qw3W-5fg9H:
25.9		 4qw3V-5fg9H:
98.31
4qw3W-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
 0.86A 4qw3V-5fg9H:
37.1
4qw3W-5fg9H:
25.9		 4qw3V-5fg9H:
98.31
4qw3W-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
 0.61A 4qw3V-5fg9H:
37.1
4qw3W-5fg9H:
25.9		 4qw3V-5fg9H:
98.31
4qw3W-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
 0.95A 4qw3V-5fg9H:
37.1
4qw3W-5fg9H:
25.9		 4qw3V-5fg9H:
98.31
4qw3W-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
 1.46A 4qw3V-5h3lA:
undetectable
4qw3W-5h3lA:
undetectable		 4qw3V-5h3lA:
19.23
4qw3W-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)
 1.41A 4qw3V-5nqdB:
undetectable
4qw3W-5nqdB:
undetectable		 4qw3V-5nqdB:
16.59
4qw3W-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 4qw3V-5t0hO:
30.1
4qw3W-5t0hO:
26.1		 4qw3V-5t0hO:
56.17
4qw3W-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
 0.96A 4qw3V-6avoB:
21.8
4qw3W-6avoB:
20.2		 4qw3V-6avoB:
43.40
4qw3W-6avoB:
19.10