SIMILAR PATTERNS OF AMINO ACIDS FOR 1WRL_F_TFPF209_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
 0.43A 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
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)
 0.40A 1wrlE-1wrkA:
17.6
1wrlF-1wrkA:
16.5		 1wrlE-1wrkA:
100.00
1wrlF-1wrkA:
100.00
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) 		5 MET A  45
LEU A  48
GLN A  50
MET A  80
SER A  84
 TFP  A 202 (-3.6A)
TFP  A 202 (-4.1A)
TFP  A 202 (-3.4A)
TFP  A 202 (-3.5A)
TFP  A 204 (-2.9A)
 1.10A 1wrlE-1wrkA:
17.6
1wrlF-1wrkA:
16.5		 1wrlE-1wrkA:
100.00
1wrlF-1wrkA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zot CALMODULIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 MET B 109
LEU B 112
GLU B 120
MET B 124
MET B 145
 None
 0.87A 1wrlE-1zotB:
9.8
1wrlF-1zotB:
9.9		 1wrlE-1zotB:
38.55
1wrlF-1zotB:
38.55
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
GLU A  47
MET A  51
MET A  71
MET A  72
 None
 0.62A 1wrlE-2f2pA:
11.5
1wrlF-2f2pA:
11.4		 1wrlE-2f2pA:
61.80
1wrlF-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
LEU A  39
MET A  51
MET A  71
MET A  72
 None
 0.69A 1wrlE-2f2pA:
11.5
1wrlF-2f2pA:
11.4		 1wrlE-2f2pA:
61.80
1wrlF-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
 0.71A 1wrlE-2w490:
13.0
1wrlF-2w490:
12.9		 1wrlE-2w490:
64.77
1wrlF-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.
2y6i COLLAGENASE

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 GLU A 559
LEU A 534
GLN A 530
GLU A 524
SER A 564
 None
None
None
ZN  A1791 ( 4.4A)
None
 1.26A 1wrlE-2y6iA:
undetectable
1wrlF-2y6iA:
undetectable		 1wrlE-2y6iA:
7.97
1wrlF-2y6iA:
7.97
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)
 1.42A 1wrlE-3cfhA:
undetectable
1wrlF-3cfhA:
undetectable		 1wrlE-3cfhA:
18.63
1wrlF-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 GLU A 378
MET A 330
LEU A 333
MET A 345
MET A 365
 None
 1.47A 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) 		7 MET A 330
LEU A 333
GLN A 335
GLU A 341
MET A 345
MET A 365
MET A 366
 None
 1.00A 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.
4ar9 COLLAGENASE COLT

(Clostridium
tetani) 		PF01752
(Peptidase_M9) 		5 GLU A 503
LEU A 476
GLN A 472
GLU A 466
SER A 508
 None
None
None
ZN  A1731 (-3.9A)
None
 1.32A 1wrlE-4ar9A:
undetectable
1wrlF-4ar9A:
undetectable		 1wrlE-4ar9A:
13.48
1wrlF-4ar9A:
13.48
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.
4are COLLAGENASE G

(Hathewaya
histolytica) 		PF01752
(Peptidase_M9)
PF08453
(Peptidase_M9_N) 		5 GLU A 559
LEU A 534
GLN A 530
GLU A 524
SER A 564
 None
None
None
ZN  A1790 (-3.7A)
None
 1.31A 1wrlE-4areA:
undetectable
1wrlF-4areA:
undetectable		 1wrlE-4areA:
8.23
1wrlF-4areA:
8.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gow CALMODULIN

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 LEU D  18
GLU D 120
MET D 124
MET D 144
MET D 145
 LEU  D  18 ( 0.6A)
GLU  D 120 ( 0.6A)
MET  D 124 ( 0.0A)
MET  D 144 ( 0.0A)
MET  D 145 ( 0.0A)
 1.03A 1wrlE-4gowD:
11.4
1wrlF-4gowD:
11.3		 1wrlE-4gowD:
67.09
1wrlF-4gowD:
67.09
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.
4h8n CONJUGATED
POLYKETONE REDUCTASE
C2

(Candida
parapsilosis) 		PF00248
(Aldo_ket_red) 		5 GLU A 270
LEU A 274
GLN A 245
GLU A 243
SER A 262
 None
None
None
None
NDP  A3001 (-2.6A)
 1.47A 1wrlE-4h8nA:
undetectable
1wrlF-4h8nA:
undetectable		 1wrlE-4h8nA:
14.33
1wrlF-4h8nA:
14.33
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
 0.42A 1wrlE-4q57A:
10.3
1wrlF-4q57A:
10.3		 1wrlE-4q57A:
55.70
1wrlF-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.
5l8v DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Pyrococcus
furiosus) 		PF08423
(Rad51) 		5 GLU A 195
GLN A 156
MET A 221
MET A 222
SER A 225
 None
 1.37A 1wrlE-5l8vA:
undetectable
1wrlF-5l8vA:
undetectable		 1wrlE-5l8vA:
16.52
1wrlF-5l8vA:
16.52
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 LEU A  48
GLN A  50
GLU A  56
MET A  60
MET A  80
 9XG  A 201 ( 4.8A)
None
None
9XG  A 201 (-4.0A)
9XG  A 201 (-4.0A)
 1.45A 1wrlE-5w88A:
11.8
1wrlF-5w88A:
11.2		 1wrlE-5w88A:
100.00
1wrlF-5w88A:
100.00
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)
 0.95A 1wrlE-5w88A:
11.8
1wrlF-5w88A:
11.2		 1wrlE-5w88A:
100.00
1wrlF-5w88A:
100.00