SIMILAR PATTERNS OF AMINO ACIDS FOR 5FHR_B_SAMB303_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.
1fok PROTEIN (FOKI
RESTRICTION
ENDONUCLEASE)

(Planomicrobium
okeanokoites) 		PF02980
(FokI_C)
PF02981
(FokI_N)
PF09254
(Endonuc-FokI_C)
PF16902
(Type2_restr_D3) 		5 MET A 433
GLY A 451
TYR A 436
TYR A 454
HIS A 442
 None
 1.37A 5fhrB-1fokA:
1.4		 5fhrB-1fokA:
17.17
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) 		6 MET A  61
GLU A  85
GLY A  87
TYR A  89
TYR A  92
ASN A 113
 SPF  A 401 (-4.1A)
SAH  A 301 (-4.1A)
SAH  A 301 (-3.4A)
SAH  A 301 (-4.7A)
None
None
 0.76A 5fhrB-1susA:
17.6		 5fhrB-1susA:
25.58
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		5 ASN A 422
GLU A 419
GLY A 425
TYR A 423
TYR A 421
 None
 1.42A 5fhrB-3akfA:
undetectable		 5fhrB-3akfA:
19.27
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 MET A  40
ASN A  41
VAL A  42
GLU A  64
GLY A  66
TYR A  68
TYR A  71
ASN A  92
HIS A 142
TRP A 143
 SAM  A 301 (-3.7A)
SAM  A 301 (-4.7A)
SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
SAM  A 301 (-3.2A)
SAM  A 301 (-4.7A)
None
None
SAM  A 301 ( 4.9A)
SAM  A 301 ( 3.4A)
 0.22A 5fhrB-3bwmA:
34.3		 5fhrB-3bwmA:
80.75
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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 VAL A 219
GLY A 243
TYR A 221
ASN A 240
HIS A 133
 None
 1.36A 5fhrB-3fsgA:
2.8		 5fhrB-3fsgA:
23.08
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.
3hv1 POLAR AMINO ACID ABC
UPTAKE TRANSPORTER
SUBSTRATE BINDING
PROTEIN

(Streptococcus
thermophilus) 		PF00497
(SBP_bac_3) 		5 VAL A 207
GLU A 232
GLY A 231
TYR A 208
TYR A 229
 None
 1.38A 5fhrB-3hv1A:
undetectable		 5fhrB-3hv1A:
21.09
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.
3njx RHAMNOGALACTURONASE
B

(Aspergillus
aculeatus) 		PF09284
(RhgB_N)
PF14683
(CBM-like)
PF14686
(fn3_3) 		5 ASN A 207
GLU A 214
GLY A 185
TYR A 216
TYR A 179
 None
 1.50A 5fhrB-3njxA:
undetectable		 5fhrB-3njxA:
17.70
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
GLY A  79
TYR A  84
ASN A 104
 SO4  A 233 (-4.2A)
SO4  A 233 (-4.0A)
None
SO4  A 233 (-4.9A)
None
 0.48A 5fhrB-3ntvA:
18.8		 5fhrB-3ntvA:
22.54
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.
4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12

(Arabidopsis
thaliana) 		PF03321
(GH3) 		5 VAL A 345
GLY A 404
TYR A 347
ASN A 407
TYR A 406
 None
None
APC  A 603 (-4.4A)
None
None
 1.44A 5fhrB-4l39A:
2.3		 5fhrB-4l39A:
17.00
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
GLY A 109
TYR A 114
ASN A 135
TYR A 138
HIS A 185
 None
2F6  A 301 (-3.6A)
None
None
None
None
 0.37A 5fhrB-4p58A:
29.5		 5fhrB-4p58A:
97.17
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 ASN A 159
GLY A 113
TYR A 115
ASN A 362
TYR A 134
 None
 1.50A 5fhrB-5dmyA:
2.0		 5fhrB-5dmyA:
13.44
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 GLU A  99
GLY A 101
TYR A 103
TYR A 106
ASN A 127
 SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
None
 0.52A 5fhrB-5kvaA:
17.7		 5fhrB-5kvaA:
26.34
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.
5kva CAFFEOYL-COA
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF01596
(Methyltransf_3) 		5 MET A  75
GLU A  99
GLY A 101
TYR A 103
ASN A 127
 SAM  A 301 (-3.8A)
SAM  A 301 ( 4.0A)
SAM  A 301 (-3.4A)
SAM  A 301 (-4.8A)
None
 0.51A 5fhrB-5kvaA:
17.7		 5fhrB-5kvaA:
26.34
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.
6b6l GLYCOSYL HYDROLASE
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 5 ASN A 163
GLY A 117
TYR A 119
ASN A 359
TYR A 138
 None
 1.48A 5fhrB-6b6lA:
undetectable		 5fhrB-6b6lA:
13.85