SIMILAR PATTERNS OF AMINO ACIDS FOR 1WRK_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
 0.50A 1wrkA-1ggzA:
11.3
1wrkB-1ggzA:
11.2		 1wrkA-1ggzA:
57.30
1wrkB-1ggzA:
57.30
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
LEU A  39
MET A  51
MET A  71
MET A  72
 None
 0.71A 1wrkA-2f2pA:
11.5
1wrkB-2f2pA:
11.5		 1wrkA-2f2pA:
61.80
1wrkB-2f2pA:
61.80
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.
2k4w SUPEROXIDE DISMUTASE
[CU-ZN]

(Salmonella
enterica) 		PF00080
(Sod_Cu) 		5 LEU A  94
GLU A  44
MET A   7
GLU A 107
ALA A 111
 None
 1.34A 1wrkA-2k4wA:
undetectable
1wrkB-2k4wA:
undetectable		 1wrkA-2k4wA:
24.43
1wrkB-2k4wA:
24.43
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.
2lmv CALMODULIN-RELATED
PROTEIN 97A

(Drosophila
melanogaster) 		PF13499
(EF-hand_7) 		5 MET A 109
LEU A 112
GLU A 120
MET A 124
MET A 144
 None
 1.02A 1wrkA-2lmvA:
10.4
1wrkB-2lmvA:
10.7		 1wrkA-2lmvA:
27.67
1wrkB-2lmvA:
27.67
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
 0.95A 1wrkA-2w490:
13.2
1wrkB-2w490:
13.0		 1wrkA-2w490:
64.77
1wrkB-2w490:
64.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b32 CALMODULIN

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		5 MET A  36
GLN A  41
GLU A  47
MET A  51
MET A  71
 None
 1.39A 1wrkA-3b32A:
11.3
1wrkB-3b32A:
11.3		 1wrkA-3b32A:
59.30
1wrkB-3b32A:
59.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3b32 CALMODULIN

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		5 MET A  36
LEU A  39
GLN A  41
GLU A  47
MET A  51
 None
 0.53A 1wrkA-3b32A:
11.3
1wrkB-3b32A:
11.3		 1wrkA-3b32A:
59.30
1wrkB-3b32A:
59.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ifk CALMODULIN

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		5 MET A  36
LEU A  39
GLN A  41
GLU A  47
MET A  51
 None
 0.80A 1wrkA-3ifkA:
10.4
1wrkB-3ifkA:
10.2		 1wrkA-3ifkA:
60.67
1wrkB-3ifkA:
60.67
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.
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
 1.27A 1wrkA-3u0kA:
10.3
1wrkB-3u0kA:
10.1		 1wrkA-3u0kA:
16.53
1wrkB-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 345
MET A 365
MET A 366
GLU A 378
ALA A 382
 None
 1.07A 1wrkA-3u0kA:
10.3
1wrkB-3u0kA:
10.1		 1wrkA-3u0kA:
16.53
1wrkB-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.
4go4 PUTATIVE
GAMMA-HYDROXYMUCONIC
SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas sp.
WBC-3) 		PF00171
(Aldedh) 		5 MET A   1
GLN A   2
GLU A  81
GLU A 190
GLU A 186
 None
 1.29A 1wrkA-4go4A:
undetectable
1wrkB-4go4A:
undetectable		 1wrkA-4go4A:
10.02
1wrkB-4go4A:
10.02
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
 0.47A 1wrkA-4q57A:
10.2
1wrkB-4q57A:
10.4		 1wrkA-4q57A:
55.70
1wrkB-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
 0.86A 1wrkA-5cocA:
10.8
1wrkB-5cocA:
10.8		 1wrkA-5cocA:
40.60
1wrkB-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
 0.79A 1wrkA-5h7dE:
8.7
1wrkB-5h7dE:
8.6		 1wrkA-5h7dE:
40.68
1wrkB-5h7dE:
40.68
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
LEU E 184
GLN E 186
MET E 196
MET E 216
 None
 0.82A 1wrkA-5h7dE:
8.7
1wrkB-5h7dE:
8.6		 1wrkA-5h7dE:
40.68
1wrkB-5h7dE:
40.68
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.
5w4z RIBOFLAVIN LYASE

(Herbiconiux) 		no annotation 5 MET A 107
LEU A  60
GLU A 114
MET A 123
ALA A  17
 None
 1.28A 1wrkA-5w4zA:
undetectable
1wrkB-5w4zA:
undetectable		 1wrkA-5w4zA:
20.88
1wrkB-5w4zA:
20.88
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)
 0.99A 1wrkA-5w88A:
11.9
1wrkB-5w88A:
11.5		 1wrkA-5w88A:
100.00
1wrkB-5w88A:
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.
5yg7 RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Pyrococcus
horikoshii) 		no annotation 5 LEU A  35
GLN A  38
GLU A  49
GLU A  53
ALA A  57
 None
 1.50A 1wrkA-5yg7A:
undetectable
1wrkB-5yg7A:
undetectable		 1wrkA-5yg7A:
20.45
1wrkB-5yg7A:
20.45
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.
6byi BETA-MANNOSIDASE

(Xanthomonas
citri) 		no annotation 5 LEU A 850
GLU A 791
GLU A 645
GLU A 831
ALA A 829
 None
 1.46A 1wrkA-6byiA:
undetectable
1wrkB-6byiA:
undetectable		 1wrkA-6byiA:
undetectable
1wrkB-6byiA:
undetectable