SIMILAR PATTERNS OF AMINO ACIDS FOR 3RET_B_SALB201

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.
1akp APOKEDARCIDIN

(actinomycete
ATCC 53650) 		PF00960
(Neocarzinostat) 		5 VAL A  68
ALA A  34
VAL A  21
ILE A  97
GLN A  36
 None
 1.27A 3retB-1akpA:
undetectable		 3retB-1akpA:
23.20
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.
1yb4 TARTRONIC
SEMIALDEHYDE
REDUCTASE

(Salmonella
enterica) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 VAL A  69
ALA A 104
ARG A 106
VAL A 107
ILE A  89
 None
 1.43A 3retB-1yb4A:
undetectable		 3retB-1yb4A:
15.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2h9c SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB

(Pseudomonas
aeruginosa) 		PF01817
(CM_2) 		5 ARG A  31
VAL A  54
MET A  57
ILE A  87
GLN A  90
 NO3  A 100 (-2.8A)
None
NO3  A 100 (-3.5A)
None
None
 0.67A 3retB-2h9cA:
13.2		 3retB-2h9cA:
98.99
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.
2nm0 PROBABLE
3-OXACYL-(ACYL-CARRI
ER-PROTEIN)
REDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 VAL A  29
ALA A 212
ARG A 209
VAL A 208
ILE A  73
 None
 1.42A 3retB-2nm0A:
0.5		 3retB-2nm0A:
17.77
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.
3s5p RIBOSE 5-PHOSPHATE
ISOMERASE

(Giardia
intestinalis) 		PF02502
(LacAB_rpiB) 		5 ARG A  96
ALA A  22
VAL A   3
MET A   1
ILE A  62
 None
 1.37A 3retB-3s5pA:
undetectable		 3retB-3s5pA:
21.08
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.
4y7m HI113 PROTEIN

(Lama glama) 		PF07686
(V-set) 		5 ALA A  33
VAL A  99
MET A 116
TYR A 109
ILE A 104
 None
 1.36A 3retB-4y7mA:
undetectable		 3retB-4y7mA:
21.23
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.
5foi MYCINAMICIN VIII C21
METHYL HYDROXYLASE

(Micromonospora
griseorubida) 		PF00067
(p450) 		5 VAL A  41
ALA A 280
ARG A 279
VAL A  56
ILE A 292
 None
None
HEM  A 413 (-2.9A)
None
None
 1.36A 3retB-5foiA:
0.5		 3retB-5foiA:
13.11
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.
5go2 PROTEIN AROA(G)

(Bacillus
subtilis) 		PF01817
(CM_2) 		5 ARG A  27
VAL A  31
ARG A  50
MET A  54
GLN A  86
 None
 0.93A 3retB-5go2A:
9.1		 3retB-5go2A:
25.74
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD

(Pseudomonas
aeruginosa) 		PF04453
(OstA_C) 		5 ARG A 389
VAL A 434
VAL A 361
ILE A 396
GLN A 366
 None
 1.40A 3retB-5ivaA:
undetectable		 3retB-5ivaA:
9.92
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.
5j6f 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE
SYNTHASE, CHORISMATE
MUTASE-ISOZYME 3

(Geobacillus sp.
GHH01) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		5 ARG A  27
VAL A  31
ARG A  50
MET A  54
GLN A  86
 PRE  A 404 (-3.4A)
PRE  A 404 ( 4.9A)
PRE  A 404 (-4.6A)
PRE  A 404 (-3.6A)
PRE  A 404 (-3.3A)
 0.69A 3retB-5j6fA:
10.2		 3retB-5j6fA:
17.46