SIMILAR PATTERNS OF AMINO ACIDS FOR 3AMU_A_AG2A422

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.
1yir NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE 2

(Pseudomonas
aeruginosa) 		PF04095
(NAPRTase) 		4 GLU A  49
ASN A 138
VAL A 355
ARG A 141
 None
 1.46A 3amuA-1yirA:
0.0		 3amuA-1yirA:
20.04
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.
2lbc UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 13

(Homo sapiens) 		PF00627
(UBA) 		4 GLU A  18
VAL A  24
CYH A  20
ARG A  21
 None
 1.25A 3amuA-2lbcA:
0.0		 3amuA-2lbcA:
16.26
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 4 GLU A 537
ASN A 506
VAL A 543
ARG A 540
 None
 1.28A 3amuA-2po4A:
0.0		 3amuA-2po4A:
17.32
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.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 GLU A  58
ASN A 421
VAL A 381
ARG A  62
 None
 1.38A 3amuA-2vbiA:
0.0		 3amuA-2vbiA:
21.91
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.
2vpw NRFC PROTEIN

(Thermus
thermophilus) 		PF13247
(Fer4_11) 		4 GLU B  26
VAL B 132
CYH B 131
ARG B 122
 None
None
SF4  B1195 (-2.2A)
None
 0.87A 3amuA-2vpwB:
0.0		 3amuA-2vpwB:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3au7 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF01336
(tRNA_anti-codon)
PF08489
(DUF1743) 		5 GLU A 159
ASN A 194
VAL A 203
CYH A 204
ARG A 217
 AG2  A7011 ( 4.1A)
AG2  A7011 (-4.5A)
AG2  A7011 (-4.5A)
None
AG2  A7011 (-3.5A)
 0.33A 3amuA-3au7A:
51.7		 3amuA-3au7A:
90.91
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.
3bhh CALCIUM/CALMODULIN-D
EPENDENT PROTEIN
KINASE TYPE II BETA
CHAIN

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLU A  18
VAL A  32
CYH A  31
ARG A  30
 None
 1.37A 3amuA-3bhhA:
0.0		 3amuA-3bhhA:
23.11
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.
3h77 PQS BIOSYNTHETIC
ENZYME

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		4 GLU A 140
ASN A  79
VAL A  78
CYH A 138
 None
 1.48A 3amuA-3h77A:
0.0		 3amuA-3h77A:
21.57
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.
3hqx UPF0345 PROTEIN
ACIAD0356

(Acinetobacter
sp. ADP1) 		PF06865
(DUF1255) 		4 GLU A 107
VAL A 103
CYH A 104
ARG A  57
 None
 1.22A 3amuA-3hqxA:
0.0		 3amuA-3hqxA:
13.63
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.
3sqg METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT
METHYL-COENZYME M
REDUCTASE, GAMMA
SUBUNIT

(uncultured
archaeon) 		PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 GLU C  61
VAL C  66
CYH C  64
ARG B 318
 None
 1.10A 3amuA-3sqgC:
1.0		 3amuA-3sqgC:
20.68
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 GLU A 940
ASN A 511
VAL A 548
CYH A 506
 None
 1.37A 3amuA-4f4cA:
undetectable		 3amuA-4f4cA:
15.90
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.
4g6z GLUTAMATE-TRNA
LIGASE

(Burkholderia
thailandensis) 		PF00749
(tRNA-synt_1c) 		4 GLU A  44
VAL A 193
CYH A 190
ARG A  42
 GLU  A 501 (-3.7A)
None
None
None
 1.10A 3amuA-4g6zA:
undetectable		 3amuA-4g6zA:
22.68
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.
4trg SIDC

(Legionella
pneumophila) 		no annotation 4 GLU A  13
ASN A 506
VAL A 508
ARG A 108
 None
 1.27A 3amuA-4trgA:
undetectable		 3amuA-4trgA:
20.43
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.
5whg PROTEIN VMS1

(Saccharomyces
cerevisiae) 		no annotation 4 ASN A  99
VAL A  76
CYH A  77
ARG A 102
 None
None
ZN  A 501 (-2.3A)
None
 1.42A 3amuA-5whgA:
undetectable		 3amuA-5whgA:
21.05
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 4 GLU A 162
ASN A 186
VAL A 366
ARG A 185
 None
 1.44A 3amuA-5wmmA:
undetectable		 3amuA-5wmmA:
20.65
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.
6bm7 INACTIVE
S-ADENOSYLMETHIONINE
DECARBOXYLASE
PROZYME

(Trypanosoma
brucei) 		no annotation 4 GLU E  38
ASN E 199
VAL E 200
ARG E  99
 None
 1.27A 3amuA-6bm7E:
2.5		 3amuA-6bm7E:
11.21
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.
6cp0 -

(-) 		no annotation 4 GLU A  12
ASN A 502
VAL A 504
ARG A 106
 None
 1.36A 3amuA-6cp0A:
undetectable		 3amuA-6cp0A:
undetectable