SIMILAR PATTERNS OF AMINO ACIDS FOR 3RFA_A_SAMA406

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.
1yxm PEROXISOMAL TRANS
2-ENOYL COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLU A  40
SER A   9
GLU A 237
VAL A 239
ASN A 107
 None
 1.24A 3rfaA-1yxmA:
0.8		 3rfaA-1yxmA:
21.90
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.
2dpg GLUCOSE 6-PHOSPHATE
DEHYDROGENASE

(Leuconostoc
mesenteroides) 		PF00479
(G6PD_N)
PF02781
(G6PD_C) 		5 PHE A  10
PRO A 414
SER A  25
VAL A   8
ILE A 113
 None
 1.36A 3rfaA-2dpgA:
3.0		 3rfaA-2dpgA:
21.78
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.
2r5r UPF0343 PROTEIN
NE1163

(Nitrosomonas
europaea) 		PF02649
(GCHY-1) 		5 PHE A  61
MET A  92
GLU A  71
SER A  67
VAL A  26
 None
 1.28A 3rfaA-2r5rA:
0.4		 3rfaA-2r5rA:
20.94
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.
2uuu ALKYLDIHYDROXYACETON
EPHOSPHATE SYNTHASE

(Dictyostelium
discoideum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 PHE A 105
GLU A 151
SER A 149
VAL A 145
ILE A 192
 None
 1.28A 3rfaA-2uuuA:
undetectable		 3rfaA-2uuuA:
22.53
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.
3o2e BOLA-LIKE PROTEIN

(Babesia bovis) 		PF01722
(BolA) 		5 PHE A  33
SER A   0
GLU A  61
VAL A   7
ILE A  58
 None
 1.30A 3rfaA-3o2eA:
undetectable		 3rfaA-3o2eA:
12.38
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.
4bl0 CELL CYCLE ARREST
PROTEIN BUB3

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 PHE A  92
PRO A  10
SER A  52
VAL A  84
ILE A  72
 None
 1.25A 3rfaA-4bl0A:
undetectable		 3rfaA-4bl0A:
22.84
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.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 CYH A  19
GLU A  67
PRO A  68
VAL A 165
ILE A 192
 SF4  A 503 (-2.3A)
SAM  A 504 (-4.1A)
None
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
 1.44A 3rfaA-4k37A:
7.9		 3rfaA-4k37A:
19.73
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.
4k37 ANAEROBIC
SULFATASE-MATURATING
ENZYME

(Clostridium
perfringens) 		PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12) 		5 CYH A  22
GLU A  67
PRO A  68
VAL A 165
ILE A 192
 SF4  A 503 ( 2.2A)
SAM  A 504 (-4.1A)
None
SAM  A 504 (-4.7A)
SAM  A 504 (-4.0A)
 0.47A 3rfaA-4k37A:
7.9		 3rfaA-4k37A:
19.73
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.
4nji 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE

(Burkholderia
multivorans) 		PF13394
(Fer4_14) 		5 PHE A  48
CYH A  49
GLU A  93
PRO A  94
VAL A 151
 SAM  A 302 (-4.8A)
SF4  A 301 ( 2.2A)
SAM  A 302 (-4.2A)
None
SAM  A 302 (-4.5A)
 0.65A 3rfaA-4njiA:
2.8		 3rfaA-4njiA:
21.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 8 PHE B 131
CYH B 132
GLU B 180
PRO B 181
HIS B 235
VAL B 280
ILE B 309
TRP B 311
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
SF4  B 401 ( 4.8A)
None
None
None
None
None
 0.59A 3rfaA-4pl2B:
52.4		 3rfaA-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 7 PHE B 131
CYH B 132
HIS B 235
GLU B 278
VAL B 280
ILE B 309
TRP B 311
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
None
None
None
None
 0.89A 3rfaA-4pl2B:
52.4		 3rfaA-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 8 PHE B 131
CYH B 132
MET B 176
GLU B 180
PRO B 181
HIS B 235
VAL B 280
ILE B 309
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
SF4  B 401 ( 4.8A)
None
None
None
None
 0.75A 3rfaA-4pl2B:
52.4		 3rfaA-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 7 PHE B 131
CYH B 132
MET B 176
GLU B 180
PRO B 181
SER B 213
ILE B 309
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
SF4  B 401 ( 4.8A)
None
SF4  B 401 (-3.1A)
None
 0.91A 3rfaA-4pl2B:
52.4		 3rfaA-4pl2B:
99.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 7 PHE B 131
CYH B 132
MET B 176
HIS B 235
GLU B 278
VAL B 280
ILE B 309
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
None
None
None
None
 1.04A 3rfaA-4pl2B:
52.4		 3rfaA-4pl2B:
99.72
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Drosophila
melanogaster) 		PF13191
(AAA_16)
PF14629
(ORC4_C) 		5 PHE D 375
CYH D 349
GLU D 449
SER D 382
ILE D 392
 None
 1.45A 3rfaA-4xgcD:
2.0		 3rfaA-4xgcD:
24.18
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.
4z5q CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 PHE A 345
CYH A 352
GLU A 361
PRO A 149
VAL A 344
 HEM  A 401 (-4.6A)
HEM  A 401 (-2.2A)
HEM  A 401 ( 4.8A)
None
HEM  A 401 (-4.6A)
 1.44A 3rfaA-4z5qA:
undetectable		 3rfaA-4z5qA:
22.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hr6 RLMN METHYLASE

(Escherichia
coli) 		PF04055
(Radical_SAM) 		10 PHE A 131
CYH A 132
MET A 176
GLU A 180
PRO A 181
HIS A 235
VAL A 280
ILE A 309
TRP A 311
ASN A 312
 5AD  A 503 (-4.6A)
SF4  A 502 ( 2.2A)
A  C  37 ( 3.7A)
MET  A 501 (-4.0A)
MET  A 501 ( 4.9A)
5AD  A 503 (-3.7A)
5AD  A 503 (-4.8A)
5AD  A 503 (-4.1A)
5AD  A 503 (-4.0A)
SMC  A 355 (-3.7A)
 0.64A 3rfaA-5hr6A:
50.5		 3rfaA-5hr6A:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hr6 RLMN METHYLASE

(Escherichia
coli) 		PF04055
(Radical_SAM) 		10 PHE A 131
CYH A 132
MET A 176
GLU A 180
PRO A 181
SER A 213
HIS A 235
VAL A 280
TRP A 311
ASN A 312
 5AD  A 503 (-4.6A)
SF4  A 502 ( 2.2A)
A  C  37 ( 3.7A)
MET  A 501 (-4.0A)
MET  A 501 ( 4.9A)
MET  A 501 ( 3.3A)
5AD  A 503 (-3.7A)
5AD  A 503 (-4.8A)
5AD  A 503 (-4.0A)
SMC  A 355 (-3.7A)
 0.76A 3rfaA-5hr6A:
50.5		 3rfaA-5hr6A:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5hr6 RLMN METHYLASE

(Escherichia
coli) 		PF04055
(Radical_SAM) 		9 PHE A 131
CYH A 132
MET A 176
HIS A 235
GLU A 278
VAL A 280
ILE A 309
TRP A 311
ASN A 312
 5AD  A 503 (-4.6A)
SF4  A 502 ( 2.2A)
A  C  37 ( 3.7A)
5AD  A 503 (-3.7A)
5AD  A 503 (-3.1A)
5AD  A 503 (-4.8A)
5AD  A 503 (-4.1A)
5AD  A 503 (-4.0A)
SMC  A 355 (-3.7A)
 0.92A 3rfaA-5hr6A:
50.5		 3rfaA-5hr6A:
99.75
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.
5ubp LEUCINE PERMEASE
TRANSCRIPTIONAL
REGULATOR

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		5 PHE A 282
GLU A 208
PRO A 205
ILE A 268
ASN A 271
 None
 1.46A 3rfaA-5ubpA:
undetectable		 3rfaA-5ubpA:
22.31
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.
5v1s RADICAL SAM

(Streptococcus
suis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		5 PHE A 123
CYH A 124
GLU A 161
PRO A 162
VAL A 249
 SAM  A 604 (-4.8A)
SF4  A 601 ( 2.2A)
SAM  A 604 (-4.4A)
None
SAM  A 604 (-4.2A)
 0.41A 3rfaA-5v1sA:
7.9		 3rfaA-5v1sA:
21.94
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 864
GLU A 563
SER A 901
VAL A 862
ILE A 874
 None
 1.45A 3rfaA-6eojA:
undetectable		 3rfaA-6eojA:
15.11