SIMILAR PATTERNS OF AMINO ACIDS FOR 1WRL_D_TFPD205

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
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.
1ff9 SACCHAROPINE
REDUCTASE

(Magnaporthe
grisea) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		5 ALA A 112
MET A 105
LEU A 108
GLU A 122
SER A  74
 None
SO4  A 503 (-4.1A)
None
None
None
 1.07A 1wrlC-1ff9A:
undetectable
1wrlD-1ff9A:
undetectable		 1wrlC-1ff9A:
10.89
1wrlD-1ff9A:
10.89
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
 0.49A 1wrlC-1ggzA:
11.2
1wrlD-1ggzA:
11.2		 1wrlC-1ggzA:
57.30
1wrlD-1ggzA:
57.30
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.
1i1q ANTHRANILATE
SYNTHASE COMPONENT I
ANTHRANILATE
SYNTHASE COMPONENT
II

(Salmonella
enterica) 		PF00117
(GATase)
PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 ALA A 160
LEU A 161
GLN A 436
GLU A 260
SER B  11
 None
 1.35A 1wrlC-1i1qA:
undetectable
1wrlD-1i1qA:
0.1		 1wrlC-1i1qA:
10.63
1wrlD-1i1qA:
10.63
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.
1i4w MITOCHONDRIAL
REPLICATION PROTEIN
MTF1

(Saccharomyces
cerevisiae) 		PF00398
(RrnaAD) 		5 GLU A 212
ALA A 243
LEU A 204
MET A 186
SER A 188
 None
 1.44A 1wrlC-1i4wA:
undetectable
1wrlD-1i4wA:
2.4		 1wrlC-1i4wA:
13.88
1wrlD-1i4wA:
13.88
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.
1um2 ENDONUCLEASE PI-SCEI

(Saccharomyces
cerevisiae) 		PF05203
(Hom_end_hint)
PF05204
(Hom_end) 		5 ALA A 526
LEU A 494
GLU A 566
MET A 476
SER A 479
 None
 1.48A 1wrlC-1um2A:
0.1
1wrlD-1um2A:
undetectable		 1wrlC-1um2A:
12.83
1wrlD-1um2A:
12.83
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)
 0.34A 1wrlC-1wrkA:
17.3
1wrlD-1wrkA:
17.0		 1wrlC-1wrkA:
100.00
1wrlD-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)
 1.20A 1wrlC-1wrkA:
17.3
1wrlD-1wrkA:
17.0		 1wrlC-1wrkA:
100.00
1wrlD-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 MET A  36
LEU A  39
MET A  51
MET A  71
MET A  72
 None
 0.77A 1wrlC-2f2pA:
11.3
1wrlD-2f2pA:
11.3		 1wrlC-2f2pA:
61.80
1wrlD-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.
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
 1.10A 1wrlC-2lmvA:
10.2
1wrlD-2lmvA:
10.3		 1wrlC-2lmvA:
27.67
1wrlD-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
 0.96A 1wrlC-2w490:
13.2
1wrlD-2w490:
13.0		 1wrlC-2w490:
64.77
1wrlD-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.
3u0k RCAMP

(Entacmaea
quadricolor) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 ALA A 382
LEU A 333
MET A 345
MET A 365
MET A 366
 None
 1.10A 1wrlC-3u0kA:
10.3
1wrlD-3u0kA:
9.9		 1wrlC-3u0kA:
16.53
1wrlD-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 GLU A 378
ALA A 382
LEU A 333
MET A 345
MET A 365
 None
 1.36A 1wrlC-3u0kA:
10.3
1wrlD-3u0kA:
9.9		 1wrlC-3u0kA:
16.53
1wrlD-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 GLU A 378
ALA A 382
MET A 330
LEU A 333
MET A 345
 None
 0.89A 1wrlC-3u0kA:
10.3
1wrlD-3u0kA:
9.9		 1wrlC-3u0kA:
16.53
1wrlD-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 LEU A 333
GLU A 341
MET A 345
MET A 365
MET A 366
 None
 1.05A 1wrlC-3u0kA:
10.3
1wrlD-3u0kA:
9.9		 1wrlC-3u0kA:
16.53
1wrlD-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.
4a1f REPLICATIVE DNA
HELICASE

(Helicobacter
pylori) 		PF03796
(DnaB_C) 		5 MET A 234
GLU A 256
MET A 214
MET A 213
SER A 211
 FLC  A1474 (-4.0A)
None
None
None
FLC  A1474 (-2.9A)
 1.21A 1wrlC-4a1fA:
undetectable
1wrlD-4a1fA:
undetectable		 1wrlC-4a1fA:
15.22
1wrlD-4a1fA:
15.22
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.
4gni PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 GLU A 186
ALA A 190
LEU A 389
GLN A 390
SER A 217
 MG  A 501 ( 4.2A)
None
None
MG  A 501 ( 3.9A)
None
 1.46A 1wrlC-4gniA:
undetectable
1wrlD-4gniA:
undetectable		 1wrlC-4gniA:
12.63
1wrlD-4gniA:
12.63
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.
4lbw ELONGATION FACTOR
TU-A

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 ALA A 387
LEU A 122
GLN A 125
GLU A 162
MET A  99
 None
 1.45A 1wrlC-4lbwA:
undetectable
1wrlD-4lbwA:
undetectable		 1wrlC-4lbwA:
15.34
1wrlD-4lbwA:
15.34
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
 0.30A 1wrlC-4q57A:
10.2
1wrlD-4q57A:
10.3		 1wrlC-4q57A:
55.70
1wrlD-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.
4zyj DNMZ

(Streptomyces
peucetius) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A  94
MET A 264
LEU A  90
MET A 175
SER A 225
 None
 1.39A 1wrlC-4zyjA:
undetectable
1wrlD-4zyjA:
undetectable		 1wrlC-4zyjA:
11.30
1wrlD-4zyjA:
11.30
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.
5dm3 L-GLUTAMINE
SYNTHETASE

(Chromohalobacter
salexigens) 		PF00120
(Gln-synt_C) 		5 ALA A 307
LEU A 306
MET A 418
MET A 413
SER A 411
 None
 1.17A 1wrlC-5dm3A:
undetectable
1wrlD-5dm3A:
undetectable		 1wrlC-5dm3A:
10.14
1wrlD-5dm3A:
10.14
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		5 GLU A 616
ALA A 613
LEU A 622
GLN A 619
GLU A 868
 None
 1.23A 1wrlC-5lcwA:
undetectable
1wrlD-5lcwA:
undetectable		 1wrlC-5lcwA:
3.45
1wrlD-5lcwA:
3.45
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.
5lx8 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLU A 284
ALA A 283
GLU A 506
MET A 463
SER A 461
 None
 1.33A 1wrlC-5lx8A:
undetectable
1wrlD-5lx8A:
undetectable		 1wrlC-5lx8A:
10.56
1wrlD-5lx8A:
10.56
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.
5sva MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 21
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 7

(Saccharomyces
cerevisiae) 		PF05983
(Med7)
PF11221
(Med21) 		5 GLU U 172
ALA W  87
LEU W  91
GLN W  90
GLU U 179
 None
 1.48A 1wrlC-5svaU:
undetectable
1wrlD-5svaU:
undetectable		 1wrlC-5svaU:
17.22
1wrlD-5svaU:
17.22
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
MET A  60
MET A  81
 9XG  A 201 (-2.4A)
9XG  A 201 ( 4.8A)
None
9XG  A 201 (-4.0A)
9XG  A 201 ( 4.6A)
 1.06A 1wrlC-5w88A:
12.0
1wrlD-5w88A:
11.4		 1wrlC-5w88A:
100.00
1wrlD-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) 		5 MET A  45
LEU A  48
GLU A  56
MET A  60
MET A  81
 9XG  A 201 (-2.4A)
9XG  A 201 ( 4.8A)
None
9XG  A 201 (-4.0A)
9XG  A 201 ( 4.6A)
 1.03A 1wrlC-5w88A:
12.0
1wrlD-5w88A:
11.4		 1wrlC-5w88A:
100.00
1wrlD-5w88A:
100.00