SIMILAR PATTERNS OF AMINO ACIDS FOR 5FHQ_A_SAMA301_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.
1e1h BOTULINUM NEUROTOXIN
TYPE A LIGHT CHAIN
BOTULINUM NEUROTOXIN
TYPE A LIGHT CHAIN

(Clostridium
botulinum;
Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF01742
(Peptidase_M27) 		5 VAL A 218
TYR B 348
ALA A 235
HIS A 226
ARG A 230
 None
None
None
ZN  A 501 ( 3.4A)
None
 1.32A 5fhqA-1e1hA:
0.0		 5fhqA-1e1hA:
22.15
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.
1qgj PEROXIDASE N

(Arabidopsis
thaliana) 		PF00141
(peroxidase) 		5 VAL A 297
GLU A 290
ASN A  47
ARG A 120
ASP A  96
 None
 1.41A 5fhqA-1qgjA:
undetectable		 5fhqA-1qgjA:
20.53
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.
1sw6 REGULATORY PROTEIN
SWI6

(Saccharomyces
cerevisiae) 		PF00023
(Ank)
PF13857
(Ank_5) 		5 VAL A 338
TYR A 376
ASN A 363
HIS A 323
ASP A 348
 None
 1.34A 5fhqA-1sw6A:
0.0		 5fhqA-1sw6A:
18.07
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.
2bac PUTATIVE
AMINOOXIDASE

(Cutibacterium
acnes) 		PF01593
(Amino_oxidase) 		5 VAL A 176
TYR A 180
ASN A 152
ALA A 113
ASP A 159
 None
 1.20A 5fhqA-2bacA:
0.0		 5fhqA-2bacA:
20.60
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 VAL A 244
TYR A 252
ALA A 334
HIS A 275
ASP A 414
 None
None
None
None
CA  A1778 (-2.2A)
 1.25A 5fhqA-2cn3A:
undetectable		 5fhqA-2cn3A:
14.50
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.
2r7d RIBONUCLEASE II
FAMILY PROTEIN

(Deinococcus
radiodurans) 		PF00773
(RNB) 		5 VAL A 368
ASN A 379
ALA A 142
ARG A 344
ASP A 347
 None
 1.39A 5fhqA-2r7dA:
undetectable		 5fhqA-2r7dA:
19.65
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.
2z2n VIRGINIAMYCIN B
LYASE

(Staphylococcus
aureus) 		no annotation 5 VAL A  22
MET A  37
TYR A  50
ALA A  35
ASP A 286
 None
 1.40A 5fhqA-2z2nA:
undetectable		 5fhqA-2z2nA:
19.19
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.
2z8z LIPASE

(Pseudomonas sp.
MIS38) 		PF00353
(HemolysinCabind) 		5 VAL A  54
ASN A 344
ALA A 293
HIS A 291
ARG A 360
 None
 1.26A 5fhqA-2z8zA:
0.0		 5fhqA-2z8zA:
17.34
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) 		9 VAL A  42
GLU A  64
TYR A  71
ASN A  92
ALA A 118
HIS A 142
LYS A 144
ARG A 146
ASP A 150
 SAM  A 301 ( 3.7A)
SAM  A 301 ( 4.1A)
None
None
SAM  A 301 (-4.2A)
SAM  A 301 ( 4.9A)
DNC  A 302 (-2.7A)
None
None
 0.20A 5fhqA-3bwmA:
34.9		 5fhqA-3bwmA:
81.22
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.
3ju5 ARGININE KINASE

(Apostichopus
japonicus) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 VAL A  83
TYR A  28
TYR A  34
ALA A  41
ASP A  69
 None
 1.35A 5fhqA-3ju5A:
undetectable		 5fhqA-3ju5A:
19.47
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.
3tov GLYCOSYL TRANSFERASE
FAMILY 9

(Veillonella
parvula) 		PF01075
(Glyco_transf_9) 		5 VAL A  90
MET A 139
ASN A 142
ALA A 136
ASP A  18
 None
None
SO4  A 348 ( 4.1A)
None
None
 1.12A 5fhqA-3tovA:
5.4		 5fhqA-3tovA:
22.51
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.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		5 VAL A  26
TYR A 151
ALA A 147
ARG A 218
ASP A 346
 None
 1.26A 5fhqA-3va8A:
undetectable		 5fhqA-3va8A:
18.51
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.
3vdg PROBABLE GLUCARATE
DEHYDRATASE

(Mycolicibacterium
smegmatis) 		PF13378
(MR_MLE_C) 		5 VAL A  27
TYR A 153
ALA A 149
ARG A 220
ASP A 348
 None
 1.27A 5fhqA-3vdgA:
undetectable		 5fhqA-3vdgA:
20.45
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) 		9 GLU A 107
TYR A 114
MET A 132
ASN A 135
TYR A 138
ALA A 161
HIS A 185
ARG A 189
ASP A 193
 None
None
None
None
None
2F6  A 301 (-4.1A)
None
None
None
 0.46A 5fhqA-4p58A:
29.4		 5fhqA-4p58A:
97.64
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.
4wzz PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF13407
(Peripla_BP_4) 		5 VAL A 324
TYR A 304
ASN A 152
ALA A 339
ASP A 319
 None
 1.34A 5fhqA-4wzzA:
4.4		 5fhqA-4wzzA:
21.61
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.
4zmh UNCHARACTERIZED
PROTEIN

(Saccharophagus
degradans) 		PF15979
(Glyco_hydro_115) 		5 VAL A 269
TYR A 322
ASN A 249
ARG A 245
ASP A  77
 None
 1.43A 5fhqA-4zmhA:
undetectable		 5fhqA-4zmhA:
12.82
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
 1.40A 5fhqA-5iy9A:
undetectable		 5fhqA-5iy9A:
9.36
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.
5n0c TETANUS TOXIN

(Clostridium
tetani) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 VAL A 426
TYR A  72
ASN A 472
HIS A 380
ASP A 207
 None
 1.21A 5fhqA-5n0cA:
undetectable		 5fhqA-5n0cA:
10.03
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.
5uxn PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Pseudomonas
aeruginosa) 		no annotation 5 VAL A 106
ASN A 166
ALA A  78
ARG A  82
ASP A  83
 None
 1.19A 5fhqA-5uxnA:
undetectable		 5fhqA-5uxnA:
undetectable
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.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		5 GLU A 562
TYR A 555
MET A 566
ASN A 574
ASP A 527
 None
 1.34A 5fhqA-5wx1A:
3.5		 5fhqA-5wx1A:
14.77