SIMILAR PATTERNS OF AMINO ACIDS FOR 1WRL_A_TFPA202_1

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ggz CALMODULIN-RELATED
PROTEIN NB-1

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 MET A  36
LEU A  39
GLN A  41
GLU A  47
MET A  51
 None
 0.45A 1wrlA-1ggzA:
11.4
1wrlB-1ggzA:
11.3		 1wrlA-1ggzA:
57.30
1wrlB-1ggzA:
57.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wrk TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES

(Homo sapiens) 		PF13833
(EF-hand_8) 		7 MET A  45
LEU A  48
GLN A  50
GLU A  56
MET A  60
MET A  80
SER A  84
 TFP  A 202 (-3.6A)
TFP  A 202 (-4.1A)
TFP  A 202 (-3.4A)
TFP  A 202 ( 4.6A)
TFP  A 202 ( 4.0A)
TFP  A 202 (-3.5A)
TFP  A 204 (-2.9A)
 0.56A 1wrlA-1wrkA:
17.9
1wrlB-1wrkA:
17.7		 1wrlA-1wrkA:
100.00
1wrlB-1wrkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2w49 TROPONIN C, SKELETAL
MUSCLE

(Gallus gallus) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 MET 0  45
LEU 0  48
GLN 0  50
GLU 0  56
MET 0  80
 None
 0.98A 1wrlA-2w490:
13.3
1wrlB-2w490:
13.5		 1wrlA-2w490:
64.77
1wrlB-2w490:
64.77
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.
3dkn PREPROTEIN
TRANSLOCASE SUBUNIT
SECY

(Canis lupus) 		PF00344
(SecY) 		5 LEU A 114
GLN A 111
MET A  96
SER A  91
ALA A  81
 None
 1.32A 1wrlA-3dknA:
0.0
1wrlB-3dknA:
0.0		 1wrlA-3dknA:
13.84
1wrlB-3dknA:
13.84
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 MET A 330
LEU A 333
GLU A 341
MET A 345
ALA A 382
 None
 0.86A 1wrlA-3u0kA:
10.4
1wrlB-3u0kA:
10.4		 1wrlA-3u0kA:
16.53
1wrlB-3u0kA:
16.53
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 MET A 330
LEU A 333
GLU A 341
MET A 365
ALA A 382
 None
 1.18A 1wrlA-3u0kA:
10.4
1wrlB-3u0kA:
10.4		 1wrlA-3u0kA:
16.53
1wrlB-3u0kA:
16.53
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 MET A 330
LEU A 333
MET A 345
GLU A 378
ALA A 382
 None
 1.01A 1wrlA-3u0kA:
10.4
1wrlB-3u0kA:
10.4		 1wrlA-3u0kA:
16.53
1wrlB-3u0kA:
16.53
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 MET A 330
LEU A 333
MET A 365
GLU A 378
ALA A 382
 None
 1.45A 1wrlA-3u0kA:
10.4
1wrlB-3u0kA:
10.4		 1wrlA-3u0kA:
16.53
1wrlB-3u0kA:
16.53
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.
4cd8 ENDO-BETA-1,4-MANNAN
ASE

(Alicyclobacillus
acidocaldarius) 		no annotation 5 LEU A  39
GLN A  42
SER A 298
GLU A 307
ALA A  38
 None
 1.44A 1wrlA-4cd8A:
undetectable
1wrlB-4cd8A:
undetectable		 1wrlA-4cd8A:
14.53
1wrlB-4cd8A:
14.53
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.
4ij3 SULFHYDRYL OXIDASE 1

(Homo sapiens) 		PF00085
(Thioredoxin) 		5 LEU A 150
GLU A 193
SER A 208
GLU A 155
ALA A 153
 None
 1.34A 1wrlA-4ij3A:
0.0
1wrlB-4ij3A:
0.0		 1wrlA-4ij3A:
16.52
1wrlB-4ij3A:
16.52
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.
4l39 4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12

(Arabidopsis
thaliana) 		PF03321
(GH3) 		5 MET A 106
LEU A  93
MET A 394
SER A 354
ALA A 160
 None
 1.45A 1wrlA-4l39A:
0.5
1wrlB-4l39A:
undetectable		 1wrlA-4l39A:
10.55
1wrlB-4l39A:
10.55
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		5 LEU A 308
GLU A 168
SER A 328
GLU A 306
ALA A 309
 None
 1.24A 1wrlA-4mt1A:
0.0
1wrlB-4mt1A:
0.4		 1wrlA-4mt1A:
7.08
1wrlB-4mt1A:
7.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4q57 CALMODULIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 MET A  36
LEU A  39
GLN A  41
GLU A  47
MET A  51
 None
 0.36A 1wrlA-4q57A:
10.4
1wrlB-4q57A:
10.3		 1wrlA-4q57A:
55.70
1wrlB-4q57A:
55.70
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		5 MET A 417
LEU A 418
GLU A 409
MET A 145
ALA A 290
 None
 1.43A 1wrlA-5e78A:
undetectable
1wrlB-5e78A:
undetectable		 1wrlA-5e78A:
12.00
1wrlB-5e78A:
12.00
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.
5i1u GERMACRADIEN-4-OL
SYNTHASE

(Streptomyces
citricolor) 		no annotation 5 GLN A 259
MET A   1
SER A 308
GLU A   8
ALA A 262
 None
 1.39A 1wrlA-5i1uA:
undetectable
1wrlB-5i1uA:
undetectable		 1wrlA-5i1uA:
15.28
1wrlB-5i1uA:
15.28
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.
5wti CRISPR-ASSOCIATED
PROTEIN

(Bacillus
thermoamylovorans) 		no annotation 5 LEU Z 276
GLN Z 273
GLU Z 266
SER Z 289
GLU Z 285
 None
 1.50A 1wrlA-5wtiZ:
undetectable
1wrlB-5wtiZ:
undetectable		 1wrlA-5wtiZ:
6.44
1wrlB-5wtiZ:
6.44
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.
6c66 CRISPR-ASSOCIATED
HELICASE, CAS3
FAMILY

(Thermobifida
fusca) 		no annotation 5 LEU G 684
GLN G 685
MET G 673
SER G 675
GLU G 663
 None
 1.48A 1wrlA-6c66G:
undetectable
1wrlB-6c66G:
undetectable		 1wrlA-6c66G:
21.51
1wrlB-6c66G:
21.51