SIMILAR PATTERNS OF AMINO ACIDS FOR 1WRL_E_TFPE210_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
 0.55A 1wrlE-1ggzA:
11.3
1wrlF-1ggzA:
11.2		 1wrlE-1ggzA:
57.30
1wrlF-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 1wrlE-1wrkA:
17.6
1wrlF-1wrkA:
16.5		 1wrlE-1wrkA:
100.00
1wrlF-1wrkA:
100.00
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.
2bwj ADENYLATE KINASE 5

(Homo sapiens) 		PF00406
(ADK) 		5 LEU A  50
GLU A  81
SER A  41
GLU A  48
ALA A  51
 None
 1.25A 1wrlE-2bwjA:
undetectable
1wrlF-2bwjA:
undetectable		 1wrlE-2bwjA:
23.08
1wrlF-2bwjA:
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.
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
 1.27A 1wrlE-3dknA:
undetectable
1wrlF-3dknA:
undetectable		 1wrlE-3dknA:
13.84
1wrlF-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.
3s25 HYPOTHETICAL
7-BLADED
BETA-PROPELLER-LIKE
PROTEIN

([Eubacterium]
rectale) 		PF16472
(DUF5050) 		5 LEU A 276
GLN A 268
SER A 311
GLU A 293
ALA A 275
 None
 1.33A 1wrlE-3s25A:
undetectable
1wrlF-3s25A:
undetectable		 1wrlE-3s25A:
12.08
1wrlF-3s25A:
12.08
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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 LEU A 333
MET A 345
MET A 365
GLU A 378
ALA A 382
 None
 1.38A 1wrlE-3u0kA:
10.3
1wrlF-3u0kA:
10.2		 1wrlE-3u0kA:
16.53
1wrlF-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
GLN A 335
GLU A 341
MET A 345
MET A 365
 None
 1.14A 1wrlE-3u0kA:
10.3
1wrlF-3u0kA:
10.2		 1wrlE-3u0kA:
16.53
1wrlF-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 345
MET A 365
 None
 0.93A 1wrlE-3u0kA:
10.3
1wrlF-3u0kA:
10.2		 1wrlE-3u0kA:
16.53
1wrlF-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.
3zl8 UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 MET A 337
GLU A 350
SER A 319
GLU A 314
ALA A 169
 None
None
ADP  A1441 ( 4.0A)
None
None
 1.29A 1wrlE-3zl8A:
undetectable
1wrlF-3zl8A:
undetectable		 1wrlE-3zl8A:
12.73
1wrlF-3zl8A:
12.73
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.
4i2y RGECO1

(Discosoma sp.;
Gallus gallus;
Rattus
norvegicus) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 MET A 339
LEU A 342
GLN A 344
GLU A 350
MET A 354
 None
 0.97A 1wrlE-4i2yA:
10.5
1wrlF-4i2yA:
10.8		 1wrlE-4i2yA:
16.10
1wrlF-4i2yA:
16.10
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
 1.44A 1wrlE-4l39A:
0.8
1wrlF-4l39A:
undetectable		 1wrlE-4l39A:
10.55
1wrlF-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
 1.21A 1wrlE-4mt1A:
0.6
1wrlF-4mt1A:
0.0		 1wrlE-4mt1A:
7.08
1wrlF-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
 0.40A 1wrlE-4q57A:
10.3
1wrlF-4q57A:
10.3		 1wrlE-4q57A:
55.70
1wrlF-4q57A:
55.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5coc IMMUNOGLOBULIN
G-BINDING PROTEIN
A,CALMODULIN

(Homo sapiens;
Staphylococcus
aureus) 		PF02216
(B)
PF13499
(EF-hand_7) 		5 MET A1037
LEU A1040
GLN A1042
GLU A1048
MET A1052
 None
 0.75A 1wrlE-5cocA:
10.9
1wrlF-5cocA:
10.7		 1wrlE-5cocA:
40.60
1wrlF-5cocA:
40.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h7d ZPA963,CALMODULIN

(Caenorhabditis
elegans;
synthetic
construct) 		PF02216
(B)
PF13499
(EF-hand_7) 		5 MET E 181
GLN E 186
GLU E 192
MET E 196
MET E 216
 None
 0.81A 1wrlE-5h7dE:
8.8
1wrlF-5h7dE:
8.7		 1wrlE-5h7dE:
40.68
1wrlF-5h7dE:
40.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5w88 TROPONIN C, TROPONIN
I

(Homo sapiens) 		PF00992
(Troponin)
PF13833
(EF-hand_8) 		5 MET A  45
LEU A  48
GLN A  50
GLU A  56
MET A  60
 9XG  A 201 (-2.4A)
9XG  A 201 ( 4.8A)
None
None
9XG  A 201 (-4.0A)
 0.90A 1wrlE-5w88A:
11.8
1wrlF-5w88A:
11.2		 1wrlE-5w88A:
100.00
1wrlF-5w88A:
100.00