SIMILAR PATTERNS OF AMINO ACIDS FOR 4AFG_B_QMRB1214

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.
1mjf SPERMIDINE SYNTHASE

(Pyrococcus
furiosus) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ILE A 187
ILE A 155
PHE A 174
VAL A 189
TYR A 175
 None
 1.13A 4afgA-1mjfA:
0.0
4afgE-1mjfA:
0.0		 4afgA-1mjfA:
20.33
4afgE-1mjfA:
20.33
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.
1yv9 HYDROLASE, HALOACID
DEHALOGENASE FAMILY

(Enterococcus
faecalis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ILE A 222
PHE A  29
PHE A 256
VAL A 203
TYR A   5
 None
 1.24A 4afgA-1yv9A:
0.0
4afgE-1yv9A:
0.0		 4afgA-1yv9A:
22.26
4afgE-1yv9A:
22.26
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.
2btv PROTEIN (VP7 CORE
PROTEIN)

(Bluetongue
virus) 		no annotation 5 ILE P 222
ILE P 184
PHE P 175
PHE P 129
VAL P 248
 None
 1.37A 4afgA-2btvP:
0.0
4afgE-2btvP:
0.0		 4afgA-2btvP:
18.44
4afgE-2btvP:
18.44
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		5 ILE A 189
ILE A 115
PHE A 323
PHE A 128
TYR A 117
 None
 1.44A 4afgA-2np0A:
0.0
4afgE-2np0A:
0.0		 4afgA-2np0A:
11.22
4afgE-2np0A:
11.22
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.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		5 ILE A  57
ILE A  54
PHE A  52
VAL A 101
TYR A 128
 None
 1.36A 4afgA-2w61A:
0.0
4afgE-2w61A:
0.0		 4afgA-2w61A:
16.79
4afgE-2w61A:
16.79
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.
2x4g NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 ILE A 234
PHE A 108
PHE A  82
VAL A 176
TYR A 109
 None
 1.46A 4afgA-2x4gA:
0.0
4afgE-2x4gA:
0.0		 4afgA-2x4gA:
20.58
4afgE-2x4gA:
20.58
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.
2xh6 HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		5 ILE A  96
ILE A 108
VAL A  81
TYR A 136
TYR A 156
 None
 1.34A 4afgA-2xh6A:
0.0
4afgE-2xh6A:
0.0		 4afgA-2xh6A:
21.43
4afgE-2xh6A:
21.43
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.
2zsu SPERMIDINE SYNTHASE

(Pyrococcus
horikoshii) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ILE A 190
ILE A 158
PHE A 177
VAL A 192
TYR A 178
 None
 1.07A 4afgA-2zsuA:
0.0
4afgE-2zsuA:
0.0		 4afgA-2zsuA:
19.93
4afgE-2zsuA:
19.93
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.
3gyu NUCLEAR HORMONE
RECEPTOR OF THE
STEROID/THYROID
HORMONE RECEPTORS
SUPERFAMILY

(Strongyloides
stercoralis) 		PF00104
(Hormone_recep) 		5 ILE A 598
PHE A 626
PHE A 623
TRP A 611
VAL A 601
 None
None
None
DL7  A 200 ( 4.2A)
None
 1.49A 4afgA-3gyuA:
0.0
4afgE-3gyuA:
0.0		 4afgA-3gyuA:
23.81
4afgE-3gyuA:
23.81
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.
3hnq VIRULENCE PROTEIN
STM3117

(Salmonella
enterica) 		PF00903
(Glyoxalase) 		5 ILE A 109
ILE A 140
PHE A  61
VAL A  44
TYR A  41
 None
 1.50A 4afgA-3hnqA:
undetectable
4afgE-3hnqA:
undetectable		 4afgA-3hnqA:
19.75
4afgE-3hnqA:
19.75
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.
3hpg INTEGRASE

(Visna-maedi
virus) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		5 ILE A  86
PHE A 123
PHE A  99
TRP A  78
TYR A  67
 None
 1.49A 4afgA-3hpgA:
undetectable
4afgE-3hpgA:
undetectable		 4afgA-3hpgA:
18.18
4afgE-3hpgA:
18.18
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.
3n7k BOTULINUM NEUROTOXIN
TYPE C1

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		5 ILE A 946
PHE A1008
PHE A 993
TRP A 949
VAL A 950
 None
 1.31A 4afgA-3n7kA:
undetectable
4afgE-3n7kA:
undetectable		 4afgA-3n7kA:
19.49
4afgE-3n7kA:
19.49
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.
3o4f SPERMIDINE SYNTHASE

(Escherichia
coli) 		PF01564
(Spermine_synth)
PF17284
(Spermine_synt_N) 		5 ILE A 187
ILE A 155
PHE A 174
VAL A 189
TYR A 175
 None
 1.13A 4afgA-3o4fA:
undetectable
4afgE-3o4fA:
undetectable		 4afgA-3o4fA:
18.39
4afgE-3o4fA:
18.39
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.
3om9 LACTATE
DEHYDROGENASE

(Toxoplasma
gondii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A 303
ILE A 298
PHE A 134
VAL A 292
CYH A 271
 None
 1.01A 4afgA-3om9A:
undetectable
4afgE-3om9A:
undetectable		 4afgA-3om9A:
19.76
4afgE-3om9A:
19.76
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.
3sop NEURONAL-SPECIFIC
SEPTIN-3

(Homo sapiens) 		PF00735
(Septin) 		5 ILE A 124
ILE A 142
PHE A 192
TYR A 176
CYH A 174
 None
 1.47A 4afgA-3sopA:
undetectable
4afgE-3sopA:
undetectable		 4afgA-3sopA:
22.42
4afgE-3sopA:
22.42
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.
3tgh GLIDEOSOME-ASSOCIATE
D PROTEIN 50

(Plasmodium
falciparum) 		PF00149
(Metallophos) 		5 ILE A 145
ILE A  61
PHE A  49
TYR A  88
TYR A  84
 None
None
None
None
DMS  A 366 ( 4.4A)
 1.19A 4afgA-3tghA:
undetectable
4afgE-3tghA:
undetectable		 4afgA-3tghA:
20.81
4afgE-3tghA:
20.81
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.
3zuq BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07952
(Toxin_trans) 		5 ILE A 190
ILE A 116
PHE A 324
PHE A 129
TYR A 118
 None
 1.40A 4afgA-3zuqA:
undetectable
4afgE-3zuqA:
undetectable		 4afgA-3zuqA:
14.76
4afgE-3zuqA:
14.76
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.
4amt RENIN

(Homo sapiens) 		PF00026
(Asp)
PF07966
(A1_Propeptide) 		5 ILE A 180
PHE A 162
PHE A 167
TRP A  88
TYR A  58
 None
 1.48A 4afgA-4amtA:
undetectable
4afgE-4amtA:
undetectable		 4afgA-4amtA:
19.13
4afgE-4amtA:
19.13
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.
4inj LMO1638 PROTEIN

(Listeria
monocytogenes) 		PF02016
(Peptidase_S66) 		5 ILE A 224
ILE A 227
PHE A 238
PHE A 262
VAL A 258
 None
 1.05A 4afgA-4injA:
undetectable
4afgE-4injA:
undetectable		 4afgA-4injA:
21.75
4afgE-4injA:
21.75
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.
4p5h HEAT-LABILE
ENTEROTOXIN B CHAIN

(Clostridium
perfringens) 		PF03505
(Clenterotox) 		5 ILE A  96
ILE A 108
VAL A  81
TYR A 136
TYR A 156
 None
 1.34A 4afgA-4p5hA:
undetectable
4afgE-4p5hA:
undetectable		 4afgA-4p5hA:
22.62
4afgE-4p5hA:
22.62
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.
4qzv SPIKE PROTEIN S1

(Tylonycteris
bat coronavirus
HKU4) 		PF09408
(Spike_rec_bind) 		5 ILE B  62
ILE B 207
PHE B  19
PHE B  38
VAL B 209
 None
 1.39A 4afgA-4qzvB:
undetectable
4afgE-4qzvB:
undetectable		 4afgA-4qzvB:
21.72
4afgE-4qzvB:
21.72
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.
5ar1 CELL DIVISION
CONTROL PROTEIN 11

(Saccharomyces
cerevisiae) 		PF00735
(Septin) 		5 ILE A  88
ILE A 106
PHE A 156
TYR A 140
CYH A 138
 None
 1.40A 4afgA-5ar1A:
undetectable
4afgE-5ar1A:
undetectable		 4afgA-5ar1A:
22.52
4afgE-5ar1A:
22.52
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.
5cyp SEPTIN-9

(Homo sapiens) 		PF00735
(Septin) 		5 ILE A  86
ILE A 104
PHE A 154
TYR A 138
CYH A 136
 None
 1.50A 4afgA-5cypA:
undetectable
4afgE-5cypA:
undetectable		 4afgA-5cypA:
24.11
4afgE-5cypA:
24.11
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.
5j1d PHOSPHATE BINDING
PROTEIN

(Stenotrophomonas
maltophilia) 		PF12849
(PBP_like_2) 		5 ILE A 229
ILE A 101
PHE A 121
PHE A 188
VAL A 224
 None
 1.35A 4afgA-5j1dA:
undetectable
4afgE-5j1dA:
undetectable		 4afgA-5j1dA:
21.47
4afgE-5j1dA:
21.47
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.
5m6j NITROPHORIN-7

(Rhodnius
prolixus) 		no annotation 5 ILE A 151
ILE A 121
PHE A  45
PHE A  43
VAL A 138
 None
None
HEM  A 201 ( 4.6A)
HEM  A 201 (-3.6A)
None
 1.32A 4afgA-5m6jA:
undetectable
4afgE-5m6jA:
undetectable		 4afgA-5m6jA:
17.67
4afgE-5m6jA:
17.67
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.
5oi9 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Trichoplax
adhaerens) 		no annotation 5 ILE A 286
ILE A 251
VAL A 254
TYR A 229
TYR A 276
 None
 1.47A 4afgA-5oi9A:
0.3
4afgE-5oi9A:
undetectable		 4afgA-5oi9A:
16.06
4afgE-5oi9A:
16.06
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.
5ukh UNCHARACTERIZED
PROTEIN

(Streptococcus
intermedius) 		no annotation 5 ILE A 407
ILE A 276
PHE A 298
PHE A 257
TYR A 297
 None
 1.49A 4afgA-5ukhA:
undetectable
4afgE-5ukhA:
undetectable		 4afgA-5ukhA:
21.37
4afgE-5ukhA:
21.37
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.
6bfu SPIKE PROTEIN

(Coronavirus
HKU15) 		no annotation 5 ILE A 653
ILE A 665
PHE A 782
PHE A 919
TYR A 660
 None
 1.41A 4afgA-6bfuA:
undetectable
4afgE-6bfuA:
undetectable		 4afgA-6bfuA:
11.72
4afgE-6bfuA:
11.72