SIMILAR PATTERNS OF AMINO ACIDS FOR 4PYL_A_TCWA303

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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 MET A  61
ASP A 163
LYS A 166
ASP A 189
ASN A 190
 SPF  A 401 (-4.1A)
CA  A 305 (-2.5A)
SPF  A 401 (-3.8A)
CA  A 305 (-3.2A)
CA  A 305 (-2.9A)
 0.71A 4pylA-1susA:
21.2		 4pylA-1susA:
25.48
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.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		5 MET A  42
ASP A 154
LYS A 157
ASP A 180
ASN A 181
 SAH  A2001 (-3.9A)
SAH  A2001 (-3.3A)
None
None
None
 0.32A 4pylA-2hnkA:
23.4		 4pylA-2hnkA:
23.87
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.
2rin PUTATIVE GLYCINE
BETAINE-BINDING ABC
TRANSPORTER PROTEIN

(Sinorhizobium
meliloti) 		PF04069
(OpuAC) 		5 MET A 263
TRP A 296
ASP A 288
ASN A 289
GLU A 266
 None
 1.37A 4pylA-2rinA:
1.6		 4pylA-2rinA:
23.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		10 TRP A  38
MET A  40
ASP A 141
TRP A 143
LYS A 144
ASP A 169
ASN A 170
PRO A 174
LEU A 198
GLU A 199
 DNC  A 302 (-4.9A)
SAM  A 301 (-3.7A)
MG  A 300 (-2.4A)
SAM  A 301 ( 3.4A)
DNC  A 302 (-2.7A)
MG  A 300 ( 3.3A)
DNC  A 302 ( 2.5A)
DNC  A 302 ( 4.6A)
DNC  A 302 (-4.5A)
DNC  A 302 (-2.6A)
 0.26A 4pylA-3bwmA:
40.0		 4pylA-3bwmA:
81.31
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.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		5 MET A  52
ASP A 154
LYS A 157
ASP A 180
ASN A 181
 SAH  A 464 (-3.9A)
CA  A 238 ( 2.2A)
CA  A 238 ( 4.0A)
CA  A 238 (-3.3A)
CA  A 238 (-2.9A)
 0.30A 4pylA-3c3yA:
22.3		 4pylA-3c3yA:
22.87
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.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		5 MET A  42
ASP A 143
LYS A 146
ASP A 169
ASN A 170
 FER  A 501 (-3.7A)
MG  A 401 ( 2.7A)
4FE  A 502 ( 2.6A)
MG  A 401 (-3.4A)
MG  A 401 (-2.5A)
 0.31A 4pylA-3cbgA:
22.2		 4pylA-3cbgA:
25.51
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.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		5 MET A  42
ASP A 143
LYS A 146
ASP A 169
ASN A 170
 None
 0.65A 4pylA-3r3hA:
19.4		 4pylA-3r3hA:
25.00
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.
3tr6 O-METHYLTRANSFERASE

(Coxiella
burnetii) 		PF01596
(Methyltransf_3) 		5 MET A  43
ASP A 144
LYS A 147
ASP A 170
ASN A 171
 SAH  A 224 (-3.7A)
NI  A 223 ( 2.5A)
NI  A 223 ( 4.1A)
NI  A 223 (-3.3A)
NI  A 223 (-2.8A)
 0.41A 4pylA-3tr6A:
22.8		 4pylA-3tr6A:
23.04
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.
5log PUTATIVE
O-METHYLTRANSFERASE

(Myxococcus
xanthus) 		PF01596
(Methyltransf_3) 		5 MET A  41
ASP A 142
LYS A 145
ASP A 168
ASN A 169
 SAH  A1001 ( 3.8A)
MG  A1002 (-2.5A)
LDP  A1004 (-2.9A)
MG  A1002 (-3.0A)
MG  A1002 ( 2.6A)
 0.38A 4pylA-5logA:
22.5		 4pylA-5logA:
22.86