SIMILAR PATTERNS OF AMINO ACIDS FOR 3RFA_B_SAMB406

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.
1nm3 PROTEIN HI0572

(Haemophilus
influenzae) 		PF00462
(Glutaredoxin)
PF08534
(Redoxin) 		5 MET A 111
SER A 124
SER A  76
SER A  40
VAL A  38
 None
 1.48A 3rfaB-1nm3A:
undetectable		 3rfaB-1nm3A:
22.81
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A

(Staphylococcus
aureus) 		PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14) 		5 CYH A  28
GLU A  76
PRO A  77
SER A 126
VAL A 167
 SF4  A1401 (-2.2A)
SAM  A1501 (-4.4A)
None
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
 1.45A 3rfaB-1tv8A:
8.0		 3rfaB-1tv8A:
23.59
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.
1tv8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A

(Staphylococcus
aureus) 		PF04055
(Radical_SAM)
PF06463
(Mob_synth_C)
PF13394
(Fer4_14) 		5 CYH A  31
GLU A  76
PRO A  77
SER A 126
VAL A 167
 SF4  A1401 (-2.3A)
SAM  A1501 (-4.4A)
None
SAM  A1501 ( 2.4A)
SAM  A1501 (-4.5A)
 0.58A 3rfaB-1tv8A:
8.0		 3rfaB-1tv8A:
23.59
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.
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
 1.29A 3rfaB-2r5rA:
0.1		 3rfaB-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.
3nwn KINESIN-LIKE PROTEIN
KIF9

(Homo sapiens) 		PF00225
(Kinesin) 		5 GLU A 326
SER A 249
SER A 329
SER A 330
VAL A  11
 None
 1.33A 3rfaB-3nwnA:
undetectable		 3rfaB-3nwnA:
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.
4i2y RGECO1

(Gallus gallus;
Rattus
norvegicus;
Discosoma sp.) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 PHE A 322
MET A 354
PRO A  59
SER A  57
VAL A 338
 None
 1.20A 3rfaB-4i2yA:
undetectable		 3rfaB-4i2yA:
21.11
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.
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
SER A 122
VAL A 165
 SF4  A 503 ( 2.2A)
SAM  A 504 (-4.1A)
None
SAM  A 504 (-2.5A)
SAM  A 504 (-4.7A)
 0.47A 3rfaB-4k37A:
4.3		 3rfaB-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)
 0.74A 3rfaB-4njiA:
7.5		 3rfaB-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
SER B 211
HIS B 235
VAL B 280
TRP B 311
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
SF4  B 401 ( 4.8A)
None
None
None
None
None
 0.56A 3rfaB-4pl2B:
54.1		 3rfaB-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 211
SER B 213
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
SF4  B 401 ( 4.8A)
None
None
SF4  B 401 (-3.1A)
 0.92A 3rfaB-4pl2B:
54.1		 3rfaB-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 9 PHE B 131
CYH B 132
MET B 176
GLU B 180
PRO B 181
SER B 211
SER B 233
HIS B 235
VAL B 280
 SF4  B 401 ( 4.6A)
SF4  B 401 (-2.1A)
None
SF4  B 401 ( 4.8A)
None
None
SF4  B 401 ( 4.8A)
None
None
 0.76A 3rfaB-4pl2B:
54.1		 3rfaB-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.
4yjy CHALCONE SYNTHASE 1

(Oryza sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 PHE A 374
PRO A 292
SER A 246
VAL A 382
ASN A 281
 None
 1.32A 3rfaB-4yjyA:
undetectable		 3rfaB-4yjyA:
24.02
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)
 1.47A 3rfaB-4z5qA:
undetectable		 3rfaB-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) 		8 PHE A 131
CYH A 132
MET A 176
GLU A 180
PRO A 181
SER A 211
SER A 213
TRP A 311
 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 (-2.5A)
MET  A 501 ( 3.3A)
5AD  A 503 (-4.0A)
 0.58A 3rfaB-5hr6A:
52.8		 3rfaB-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) 		11 PHE A 131
CYH A 132
MET A 176
GLU A 180
PRO A 181
SER A 211
SER A 233
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 (-2.5A)
MET  A 501 ( 2.6A)
5AD  A 503 (-3.7A)
5AD  A 503 (-4.8A)
5AD  A 503 (-4.0A)
SMC  A 355 (-3.7A)
 0.31A 3rfaB-5hr6A:
52.8		 3rfaB-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.
5v1s RADICAL SAM

(Streptococcus
suis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		6 PHE A 123
CYH A 124
GLU A 161
PRO A 162
SER A 210
VAL A 249
 SAM  A 604 (-4.8A)
SF4  A 601 ( 2.2A)
SAM  A 604 (-4.4A)
None
SAM  A 604 (-2.4A)
SAM  A 604 (-4.2A)
 0.53A 3rfaB-5v1sA:
0.0		 3rfaB-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.
5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		5 CYH A  91
GLU A 127
PRO A 128
SER A 180
VAL A 224
 SF4  A 401 ( 2.4A)
SAH  A 402 (-4.3A)
None
SAH  A 402 (-2.4A)
SAH  A 402 (-4.3A)
 0.52A 3rfaB-5vslA:
4.7		 3rfaB-5vslA:
21.67
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.
5vsl RADICAL S-ADENOSYL
METHIONINE
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF04055
(Radical_SAM)
PF13353
(Fer4_12) 		5 PHE A  90
CYH A  91
PRO A 128
SER A 180
VAL A 224
 SAH  A 402 (-4.7A)
SF4  A 401 ( 2.4A)
None
SAH  A 402 (-2.4A)
SAH  A 402 (-4.3A)
 0.88A 3rfaB-5vslA:
4.7		 3rfaB-5vslA:
21.67
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.
6c8v COENZYME PQQ
SYNTHESIS PROTEIN E

(Methylobacterium
extorquens) 		no annotation 5 GLU A  74
PRO A  75
SER A 100
SER A 123
VAL A 164
 None
 1.04A 3rfaB-6c8vA:
10.3		 3rfaB-6c8vA:
undetectable