SIMILAR PATTERNS OF AMINO ACIDS FOR 1XMU_A_ROFA101_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
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.
1b4j ANTIBODY

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASN L   1
THR L  97
MET L   4
GLN L  90
 None
 1.46A 1xmuA-1b4jL:
undetectable		 1xmuA-1b4jL:
19.11
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.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 MET A 397
ASN A 270
THR A 265
GLN A 247
 None
 1.49A 1xmuA-2d4wA:
undetectable		 1xmuA-2d4wA:
21.99
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.
2jg5 FRUCTOSE 1-PHOSPHATE
KINASE

(Staphylococcus
aureus) 		PF00294
(PfkB) 		4 ASN A  79
THR A  54
MET A   1
GLN A  77
 None
 1.40A 1xmuA-2jg5A:
undetectable		 1xmuA-2jg5A:
21.77
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.
2qvx 4-CHLOROBENZOATE COA
LIGASE

(Alcaligenes sp.
AL3007) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ASN X   5
THR X   3
MET X   1
GLN X 175
 None
 1.50A 1xmuA-2qvxX:
0.2		 1xmuA-2qvxX:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 485
ASN A 533
THR A 545
MET A 549
GLN A 581
 None
NPV  A   3 (-4.4A)
NPV  A   3 ( 4.7A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.1A)
 0.21A 1xmuA-2qykA:
52.9		 1xmuA-2qykA:
87.16
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		4 MET A 312
ASN A  99
THR A 101
MET A  86
 None
 1.39A 1xmuA-2y8nA:
0.0		 1xmuA-2y8nA:
17.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 439
ASN A 487
THR A 499
MET A 503
GLN A 535
 D71  A 901 ( 4.0A)
D71  A 901 (-4.5A)
D71  A 901 (-3.6A)
D71  A 901 (-3.6A)
D71  A 901 (-3.1A)
 0.55A 1xmuA-3g4gA:
51.2		 1xmuA-3g4gA:
66.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 347
ASN A 395
THR A 407
MET A 411
GLN A 443
 ZG2  A 506 (-3.9A)
ZG2  A 506 (-4.3A)
ZG2  A 506 (-4.3A)
None
ZG2  A 506 (-3.3A)
 0.23A 1xmuA-3o57A:
54.3		 1xmuA-3o57A:
93.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 273
ASN A 321
THR A 333
MET A 337
GLN A 369
 MET  A 273 (-0.0A)
ASN  A 321 (-0.6A)
THR  A 333 ( 0.8A)
MET  A 337 ( 0.0A)
GLN  A 369 (-0.6A)
 0.26A 1xmuA-3sl5A:
51.4		 1xmuA-3sl5A:
84.81
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.
3sns LIPOPROTEIN 34

(Escherichia
coli) 		PF06804
(Lipoprotein_18) 		4 MET A 264
ASN A 331
THR A 327
GLN A 330
 None
 1.40A 1xmuA-3snsA:
undetectable		 1xmuA-3snsA:
16.25
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.
3zth STU0660

(Streptococcus
thermophilus) 		PF16813
(Cas_St_Csn2) 		4 ASN A  27
THR A 302
MET A 304
GLN A  26
 None
None
None
MG  A1349 (-3.0A)
 1.42A 1xmuA-3zthA:
undetectable		 1xmuA-3zthA:
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.
4hk9 ENDO-1,4-BETA-XYLANA
SE 2

(Trichoderma
reesei) 		PF00457
(Glyco_hydro_11) 		4 ASN A  57
THR A  55
MET A 169
GLN A 172
 None
 1.49A 1xmuA-4hk9A:
undetectable		 1xmuA-4hk9A:
18.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 MET A 519
ASN A 567
THR A 579
MET A 583
GLN A 615
 None
 0.42A 1xmuA-4wziA:
52.5		 1xmuA-4wziA:
61.39
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 5 MET A 519
ASN A 567
THR A 579
MET A 583
GLN A 615
 9VE  A 801 (-3.8A)
9VE  A 801 (-4.1A)
9VE  A 801 (-4.1A)
9VE  A 801 ( 4.0A)
9VE  A 801 (-3.2A)
 0.28A 1xmuA-5ohjA:
53.3		 1xmuA-5ohjA:
undetectable
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 5 MET A 273
ASN A 321
THR A 333
MET A 337
GLN A 369
 AKJ  A 601 ( 3.9A)
AKJ  A 601 (-4.3A)
AKJ  A 601 (-4.1A)
AKJ  A 601 ( 3.7A)
AKJ  A 601 (-3.0A)
 0.23A 1xmuA-5wh6A:
52.5		 1xmuA-5wh6A:
undetectable