SIMILAR PATTERNS OF AMINO ACIDS FOR 5V1S_B_SAMB604_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.
1jl0 S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROENZYME

(Homo sapiens) 		PF01536
(SAM_decarbox) 		5 LEU A 180
THR A 241
SER A  69
TYR A 112
SER A 113
 None
None
None
None
PUT  A 401 ( 4.3A)
 1.35A 5v1sB-1jl0A:
undetectable		 5v1sB-1jl0A:
20.62
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A

(Staphylococcus
aureus) 		PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14) 		5 CYH A  24
GLU A  76
THR A 102
SER A 126
ASN A 165
 SF4  A1401 (-2.3A)
SAM  A1501 (-4.4A)
SAM  A1501 (-4.3A)
SAM  A1501 ( 2.4A)
None
 0.98A 5v1sB-1tv8A:
21.3		 5v1sB-1tv8A:
20.77
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A

(Staphylococcus
aureus) 		PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14) 		5 CYH A  24
GLU A  76
THR A 102
SER A 126
VAL A 167
 SF4  A1401 (-2.3A)
SAM  A1501 (-4.4A)
SAM  A1501 (-4.3A)
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
 0.55A 5v1sB-1tv8A:
21.3		 5v1sB-1tv8A:
20.77
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.
1ws6 METHYLTRANSFERASE

(Thermus
thermophilus) 		PF03602
(Cons_hypoth95) 		5 LEU A  19
THR A 100
ASN A  96
VAL A  30
SER A  37
 None
 1.25A 5v1sB-1ws6A:
1.3		 5v1sB-1ws6A:
18.47
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 CYH A 748
LEU A 504
GLU A 637
VAL A 225
SER A 409
 None
 1.26A 5v1sB-2y8nA:
2.6		 5v1sB-2y8nA:
20.55
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.
3oes GTPASE RHEBL1

(Homo sapiens) 		PF00071
(Ras) 		5 LEU A 123
GLU A 128
SER A  92
VAL A  84
SER A  21
 GNP  A 201 (-4.2A)
None
None
None
GNP  A 201 (-2.6A)
 1.49A 5v1sB-3oesA:
3.1		 5v1sB-3oesA:
21.81
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.
3w9u PUTATIVE LIPASE

(Proteus
mirabilis) 		PF00561
(Abhydrolase_1) 		5 LEU A 234
SER A 159
ASN A  50
VAL A 165
SER A 239
 None
 1.49A 5v1sB-3w9uA:
1.7		 5v1sB-3w9uA:
20.44
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.
4apw ALP12

(Clostridium
tetani) 		no annotation 5 CYH A 315
GLU A 316
THR A 307
TYR A 189
SER A 187
 None
 1.47A 5v1sB-4apwA:
1.2		 5v1sB-4apwA:
23.74
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.
4j3b M1 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 THR A 539
SER A 530
ASN A 527
VAL A 523
TYR A 580
 None
None
None
None
ARG  A1101 (-4.5A)
 1.46A 5v1sB-4j3bA:
0.0		 5v1sB-4j3bA:
19.11
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.
5efr BAMA-BAMD FUSION
PROTEIN

(Rhodothermus
marinus) 		PF07244
(POTRA)
PF13525
(YfiO) 		5 LEU A 325
THR A 368
VAL A 383
TYR A 355
SER A 352
 None
 1.47A 5v1sB-5efrA:
0.0		 5v1sB-5efrA:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5v1s RADICAL SAM

(Streptococcus
suis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		9 CYH A 117
LEU A 126
GLU A 161
THR A 185
SER A 210
ASN A 247
VAL A 249
TYR A 278
SER A 279
 SF4  A 601 (-2.2A)
None
SAM  A 604 (-4.4A)
SAM  A 604 (-3.8A)
SAM  A 604 (-2.4A)
SAM  A 604 (-3.8A)
SAM  A 604 (-4.2A)
SAM  A 604 ( 4.9A)
SAM  A 604 (-4.9A)
 0.49A 5v1sB-5v1sA:
57.8		 5v1sB-5v1sA:
100.00
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.
6c8v COENZYME PQQ
SYNTHESIS PROTEIN E

(Methylobacterium
extorquens) 		no annotation 5 CYH A  28
GLU A  74
SER A 123
ASN A 162
VAL A 164
 None
 0.95A 5v1sB-6c8vA:
24.6		 5v1sB-6c8vA:
undetectable