SIMILAR PATTERNS OF AMINO ACIDS FOR 1WRL_B_TFPB201

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
MET A  81
 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 202 ( 3.3A)
 0.38A 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.
2f2p CALMODULIN FUSED
WITH
CALMODULIN-BINDING
DOMAIN OF
CALCINEURIN

(Bos taurus) 		PF13499
(EF-hand_7) 		5 LEU A  39
GLN A  41
GLU A  47
MET A  51
MET A  71
 None
 1.07A 1wrlA-2f2pA:
11.6
1wrlB-2f2pA:
11.6		 1wrlA-2f2pA:
61.80
1wrlB-2f2pA:
61.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f2p CALMODULIN FUSED
WITH
CALMODULIN-BINDING
DOMAIN OF
CALCINEURIN

(Bos taurus) 		PF13499
(EF-hand_7) 		5 LEU A  39
GLN A  41
MET A  51
MET A  71
MET A  72
 None
 1.02A 1wrlA-2f2pA:
11.6
1wrlB-2f2pA:
11.6		 1wrlA-2f2pA:
61.80
1wrlB-2f2pA:
61.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2f2p CALMODULIN FUSED
WITH
CALMODULIN-BINDING
DOMAIN OF
CALCINEURIN

(Bos taurus) 		PF13499
(EF-hand_7) 		5 MET A  36
GLN A  41
MET A  51
MET A  71
MET A  72
 None
 1.20A 1wrlA-2f2pA:
11.6
1wrlB-2f2pA:
11.6		 1wrlA-2f2pA:
61.80
1wrlB-2f2pA:
61.80
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) 		6 MET 0  45
LEU 0  48
GLN 0  50
GLU 0  56
MET 0  80
MET 0  81
 None
 0.85A 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.
3cfh GFP-LIKE
PHOTOSWITCHABLE
FLUORESCENT PROTEIN

(Anemonia
sulcata) 		PF01353
(GFP) 		5 GLU A 195
GLU A 145
MET A 160
LEU A 159
GLU A 214
 None
NRQ  A  65 ( 3.3A)
NRQ  A  65 ( 3.6A)
None
NRQ  A  65 ( 3.1A)
 1.29A 1wrlA-3cfhA:
undetectable
1wrlB-3cfhA:
undetectable		 1wrlA-3cfhA:
18.63
1wrlB-3cfhA:
18.63
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
GLN A 335
MET A 345
MET A 365
 None
 1.03A 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) 		6 MET A 330
LEU A 333
GLU A 341
MET A 345
MET A 365
MET A 366
 None
 0.94A 1wrlA-3u0kA:
10.4
1wrlB-3u0kA:
10.4		 1wrlA-3u0kA:
16.53
1wrlB-3u0kA:
16.53
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
 0.37A 1wrlA-4q57A:
10.4
1wrlB-4q57A:
10.3		 1wrlA-4q57A:
55.70
1wrlB-4q57A:
55.70
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) 		6 MET A  45
LEU A  48
GLN A  50
GLU A  56
MET A  60
MET A  81
 9XG  A 201 (-2.4A)
9XG  A 201 ( 4.8A)
None
None
9XG  A 201 (-4.0A)
9XG  A 201 ( 4.6A)
 1.07A 1wrlA-5w88A:
11.9
1wrlB-5w88A:
12.2		 1wrlA-5w88A:
100.00
1wrlB-5w88A:
100.00