SIMILAR PATTERNS OF AMINO ACIDS FOR 3A7E_A_SAMA216_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.
1sus CAFFEOYL-COA
O-METHYLTRANSFERASE

(Medicago sativa) 		PF01596
(Methyltransf_3) 		5 MET A  61
GLU A  85
TYR A  89
TYR A  92
ASN A 113
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-4.7A)
None
None
 0.90A 3a7eA-1susA:
21.5		 3a7eA-1susA:
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.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE

(Thermotoga
maritima) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 VAL A  62
GLU A  15
TYR A  32
HIS A  16
ARG A  40
 None
 1.27A 3a7eA-1vkzA:
3.5		 3a7eA-1vkzA:
21.59
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.
2f2l PEPTIDOGLYCAN
RECOGNITION
PROTEIN-LC ISOFORM
LCX

(Drosophila
melanogaster) 		PF01510
(Amidase_2) 		5 VAL X 381
TYR X 410
CYH X 451
SER X 429
HIS X 421
 None
 1.42A 3a7eA-2f2lX:
0.9		 3a7eA-2f2lX:
23.42
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.
2gp4 6-PHOSPHOGLUCONATE
DEHYDRATASE

(Shewanella
oneidensis) 		PF00920
(ILVD_EDD) 		5 GLU A 384
TYR A 215
ASN A 248
SER A 245
GLN A 231
 None
 1.39A 3a7eA-2gp4A:
1.4		 3a7eA-2gp4A:
15.74
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) 		12 MET A  40
VAL A  42
GLU A  64
TYR A  68
TYR A  71
ASN A  92
CYH A  95
SER A 119
GLN A 120
HIS A 142
TRP A 143
ARG A 146
 SAM  A 301 (-3.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 ( 4.2A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.6A)
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
None
 0.41A 3a7eA-3bwmA:
38.9		 3a7eA-3bwmA:
98.61
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.
3ntv MW1564 PROTEIN

(Staphylococcus
aureus) 		PF01596
(Methyltransf_3) 		5 VAL A  55
GLU A  77
TYR A  84
ASN A 104
GLN A 154
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
SO4  A 233 (-4.9A)
None
None
 0.94A 3a7eA-3ntvA:
21.5		 3a7eA-3ntvA:
23.38
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.
4bsx TIR
DOMAIN-CONTAINING
ADAPTER MOLECULE 1

(Homo sapiens) 		no annotation 5 VAL A  96
GLU A 120
TYR A 118
TYR A 100
SER A 127
 None
 1.48A 3a7eA-4bsxA:
0.1		 3a7eA-4bsxA:
20.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		7 GLU A 107
TYR A 114
ASN A 135
SER A 162
GLN A 163
HIS A 185
ARG A 189
 None
None
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
None
 0.62A 3a7eA-4p58A:
32.6		 3a7eA-4p58A:
81.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE

(Mus musculus) 		PF01596
(Methyltransf_3) 		6 GLU A 107
TYR A 138
SER A 162
GLN A 163
HIS A 185
ARG A 189
 None
None
2F6  A 301 (-3.2A)
2F6  A 301 (-3.8A)
None
None
 1.06A 3a7eA-4p58A:
32.6		 3a7eA-4p58A:
81.52
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Homo sapiens) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 VAL A 526
GLU A 902
TYR A 657
ASN A 601
ARG A 604
 None
 1.36A 3a7eA-5iy9A:
0.0		 3a7eA-5iy9A:
7.11