SIMILAR PATTERNS OF AMINO ACIDS FOR 5LOG_A_LDPA1004_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.
1ru4 PECTATE LYASE

(Dickeya
chrysanthemi) 		PF13229
(Beta_helix) 		4 MET A 207
ASP A 209
LYS A 214
ASP A 234
 None
CA  A   1 (-2.2A)
CA  A   1 ( 4.3A)
CA  A   1 (-3.4A)
 1.17A 5logA-1ru4A:
undetectable		 5logA-1ru4A:
19.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		6 MET A  61
ASP A 163
LYS A 166
ASP A 189
ASN A 190
TRP A 193
 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)
None
 0.60A 5logA-1susA:
30.7		 5logA-1susA:
36.90
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.
1tlg POLYANDROCARPA
LECTIN

(Polyandrocarpa
misakiensis) 		PF00059
(Lectin_C) 		4 ASP A 107
ASP A 108
ASN A  89
TRP A  93
 GAL  A 126 (-2.5A)
CA  A 201 (-3.0A)
CA  A 201 (-3.2A)
None
 1.26A 5logA-1tlgA:
undetectable		 5logA-1tlgA:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnk SAM-DEPENDENT
O-METHYLTRANSFERASE

(Leptospira
interrogans) 		PF01596
(Methyltransf_3) 		6 MET A  42
ASP A 154
LYS A 157
ASP A 180
ASN A 181
TRP A 184
 SAH  A2001 (-3.9A)
SAH  A2001 (-3.3A)
None
None
None
PEG  A3004 (-3.6A)
 0.30A 5logA-2hnkA:
32.3		 5logA-2hnkA:
45.71
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.
2w5f ENDO-1,4-BETA-XYLANA
SE Y

(Ruminiclostridium
thermocellum) 		PF00331
(Glyco_hydro_10)
PF02018
(CBM_4_9) 		4 ASP A  39
LYS A  87
ASP A  46
ASN A 264
 None
 1.39A 5logA-2w5fA:
2.2		 5logA-2w5fA:
17.07
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.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 MET A  40
ASP A 141
LYS A 144
ASP A 169
ASN A 170
 SAM  A 301 (-3.7A)
MG  A 300 (-2.4A)
DNC  A 302 (-2.7A)
MG  A 300 ( 3.3A)
DNC  A 302 ( 2.5A)
 0.43A 5logA-3bwmA:
22.5		 5logA-3bwmA:
24.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3c3y O-METHYLTRANSFERASE

(Mesembryanthemum
crystallinum) 		PF01596
(Methyltransf_3) 		6 MET A  52
ASP A 154
LYS A 157
ASP A 180
ASN A 181
TRP A 184
 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)
None
 0.39A 5logA-3c3yA:
32.3		 5logA-3c3yA:
40.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		6 MET A  42
ASP A 143
LYS A 146
ASP A 169
ASN A 170
TRP A 173
 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)
None
 0.34A 5logA-3cbgA:
31.8		 5logA-3cbgA:
46.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		6 MET A  42
ASP A 143
LYS A 146
ASP A 169
ASN A 170
TRP A 173
 None
 0.66A 5logA-3r3hA:
30.5		 5logA-3r3hA:
46.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tfw PUTATIVE
O-METHYLTRANSFERASE

(Klebsiella
pneumoniae) 		PF01596
(Methyltransf_3) 		4 ASP A 141
LYS A 144
ASP A 167
ASN A 168
 None
 1.16A 5logA-3tfwA:
28.9		 5logA-3tfwA:
37.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
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)
 0.37A 5logA-3tr6A:
33.1		 5logA-3tr6A:
45.33
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		4 ASP A 352
ASP A 348
ASN A  33
TRP A  43
 None
 1.48A 5logA-3wn6A:
undetectable		 5logA-3wn6A:
20.29
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.
4bev COPPER EFFLUX ATPASE

(Legionella
pneumophila) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 ASP A 426
LYS A 605
ASP A 628
ASN A 627
 MGF  A 950 ( 2.0A)
MGF  A 950 (-3.5A)
MGF  A 950 ( 4.2A)
MGF  A 950 (-3.2A)
 1.42A 5logA-4bevA:
2.9		 5logA-4bevA:
16.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		4 ASP A 136
LYS A 139
ASP A 162
ASN A 163
 MN  A 303 ( 2.7A)
MN  A 303 ( 3.9A)
MN  A 303 (-3.2A)
MN  A 303 (-2.5A)
 0.45A 5logA-4pclA:
28.4		 5logA-4pclA:
31.76
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 MET A 478
ASP A 474
ASN A 471
TRP A 530
 None
 1.45A 5logA-4q1vA:
undetectable		 5logA-4q1vA:
15.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		6 MET A  75
ASP A 177
LYS A 180
ASP A 203
ASN A 204
TRP A 207
 SAM  A 301 (-3.8A)
CA  A 302 ( 2.2A)
None
CA  A 302 (-3.3A)
CA  A 302 (-2.9A)
None
 0.66A 5logA-5kvaA:
31.5		 5logA-5kvaA:
36.33