SIMILAR PATTERNS OF AMINO ACIDS FOR 4QVM_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.
2fhg PROTEASOME, BETA
SUBUNIT

(Mycobacterium
tuberculosis) 		no annotation 5 THR H 301
SER H 320
GLN H 322
LYS H 333
ALA H 349
 None
 0.83A 4qvmV-2fhgH:
25.0
4qvmW-2fhgH:
23.8		 4qvmV-2fhgH:
26.85
4qvmW-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 5 THR H 301
SER H 320
LYS H 333
THR H 348
ALA H 349
 None
 0.43A 4qvmV-2fhgH:
25.0
4qvmW-2fhgH:
23.8		 4qvmV-2fhgH:
26.85
4qvmW-2fhgH:
23.05
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
CYH H  31
LYS H  33
ALA H  49
THR H  52
 04C  H 301 (-2.5A)
04C  H 301 ( 3.7A)
04C  H 301 (-3.5A)
04C  H 301 (-3.6A)
04C  H 301 (-3.8A)
 0.67A 4qvmV-3unfH:
35.7
4qvmW-3unfH:
28.6		 4qvmV-3unfH:
46.78
4qvmW-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.
4nlm LMO1340 PROTEIN

(Listeria
monocytogenes) 		no annotation 5 THR A 137
SER A  92
THR A 115
ALA A 114
THR A 132
 None
 1.33A 4qvmV-4nlmA:
0.2
4qvmW-4nlmA:
0.0		 4qvmV-4nlmA:
19.11
4qvmW-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
CYH H  31
LYS H  33
THR H  48
ALA H  49
THR H  52
 None
 0.34A 4qvmV-5fg9H:
37.2
4qvmW-5fg9H:
26.0		 4qvmV-5fg9H:
98.31
4qvmW-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
GLN H  22
CYH H  31
THR H  48
ALA H  49
THR H  52
 None
 0.96A 4qvmV-5fg9H:
37.2
4qvmW-5fg9H:
26.0		 4qvmV-5fg9H:
98.31
4qvmW-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
CYH H  31
LYS H  33
ALA H  49
THR H  52
 None
 0.66A 4qvmV-5fg9H:
37.2
4qvmW-5fg9H:
26.0		 4qvmV-5fg9H:
98.31
4qvmW-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
CYH H  31
ALA H  49
THR H  52
 None
 1.03A 4qvmV-5fg9H:
37.2
4qvmW-5fg9H:
26.0		 4qvmV-5fg9H:
98.31
4qvmW-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.
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 4qvmV-5nqdB:
0.0
4qvmW-5nqdB:
0.0		 4qvmV-5nqdB:
16.59
4qvmW-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) 		6 THR O   1
CYH O  31
LYS O  33
THR O  48
ALA O  49
THR O  52
 None
 1.05A 4qvmV-5t0hO:
30.1
4qvmW-5t0hO:
26.2		 4qvmV-5t0hO:
56.17
4qvmW-5t0hO:
20.94