SIMILAR PATTERNS OF AMINO ACIDS FOR 1XMU_B_ROFB102_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
 1.48A 1xmuB-1b4jL:
undetectable		 1xmuB-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.
1d6s O-ACETYLSERINE
SULFHYDRYLASE

(Salmonella
enterica) 		PF00291
(PALP) 		4 ASN A  69
THR A  72
GLN A 142
PHE A 143
 MET  A 401 ( 3.8A)
MET  A 401 (-3.8A)
MET  A 401 (-3.0A)
None
 1.38A 1xmuB-1d6sA:
undetectable		 1xmuB-1d6sA:
20.39
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.
1dms DMSO REDUCTASE

(Rhodobacter
capsulatus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 THR A  39
MET A  41
GLN A 193
PHE A 645
 None
None
PGD  A 783 (-4.1A)
None
 1.26A 1xmuB-1dmsA:
undetectable		 1xmuB-1dmsA:
18.25
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.
1q3s THERMOSOME ALPHA
SUBUNIT

(Thermococcus
sp. JCM 11816) 		PF00118
(Cpn60_TCP1) 		4 ASN A 258
THR A 260
GLN A 264
PHE A 268
 None
 1.44A 1xmuB-1q3sA:
undetectable		 1xmuB-1q3sA:
20.37
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.
2a30 DEOXYCYTIDINE KINASE

(Homo sapiens) 		PF01712
(dNK) 		4 ASN A 140
MET A  85
GLN A  97
PHE A 137
 None
DCZ  A 302 ( 4.3A)
DCZ  A 302 (-3.2A)
DCZ  A 302 (-3.8A)
 1.32A 1xmuB-2a30A:
0.4		 1xmuB-2a30A:
19.36
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.
2a67 ISOCHORISMATASE
FAMILY PROTEIN

(Enterococcus
faecalis) 		PF00857
(Isochorismatase) 		4 ASN A 140
THR A 137
GLN A 109
PHE A 112
 None
 1.42A 1xmuB-2a67A:
undetectable		 1xmuB-2a67A:
17.02
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
 1.42A 1xmuB-2jg5A:
undetectable		 1xmuB-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.
2ocp DEOXYGUANOSINE
KINASE

(Homo sapiens) 		PF01712
(dNK) 		4 ASN A 154
MET A  99
GLN A 111
PHE A 151
 None
DTP  A 301 ( 3.9A)
DTP  A 301 (-2.9A)
DTP  A 301 (-3.3A)
 1.48A 1xmuB-2ocpA:
0.2		 1xmuB-2ocpA:
21.60
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.
2q37 OHCU DECARBOXYLASE

(Arabidopsis
thaliana) 		PF09349
(OHCU_decarbox) 		4 ASN A  63
MET A 123
GLN A  81
PHE A  85
 None
 1.23A 1xmuB-2q37A:
undetectable		 1xmuB-2q37A:
18.78
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 ASN A 533
THR A 545
MET A 549
GLN A 581
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 ( 4.7A)
NPV  A   3 ( 4.7A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
 0.26A 1xmuB-2qykA:
52.4		 1xmuB-2qykA:
87.16
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 ASN A 487
THR A 499
MET A 503
GLN A 535
PHE A 538
 D71  A 901 (-4.5A)
D71  A 901 (-3.6A)
D71  A 901 (-3.6A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.34A 1xmuB-3g4gA:
51.3		 1xmuB-3g4gA:
66.45
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.
3h0g DNA-DIRECTED RNA
POLYMERASES I, II,
AND III SUBUNIT
RPABC3

(Schizosaccharomyces
pombe) 		PF03870
(RNA_pol_Rpb8) 		4 ASN H  37
THR H  39
MET H 102
PHE H  11
 None
 1.26A 1xmuB-3h0gH:
undetectable		 1xmuB-3h0gH:
15.14
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.
3ivu HOMOCITRATE
SYNTHASE,
MITOCHONDRIAL

(Schizosaccharomyces
pombe) 		PF00682
(HMGL-like) 		4 ASN A 235
THR A 202
GLN A 205
PHE A 170
 None
 1.41A 1xmuB-3ivuA:
undetectable		 1xmuB-3ivuA:
21.60
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 ASN A 395
THR A 407
MET A 411
GLN A 443
PHE A 446
 ZG2  A 506 (-4.3A)
ZG2  A 506 (-4.3A)
None
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.56A 1xmuB-3o57A:
53.6		 1xmuB-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 ASN A 321
THR A 333
MET A 337
GLN A 369
PHE A 372
 ASN  A 321 (-0.6A)
THR  A 333 ( 0.8A)
MET  A 337 ( 0.0A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.51A 1xmuB-3sl5A:
51.1		 1xmuB-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.
3ue2 POLY(U)-BINDING-SPLI
CING FACTOR PUF60

(Homo sapiens) 		no annotation 4 ASN A 494
THR A 462
GLN A 549
PHE A 552
 None
 1.48A 1xmuB-3ue2A:
undetectable		 1xmuB-3ue2A:
14.07
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)
 1.47A 1xmuB-3zthA:
undetectable		 1xmuB-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
 1.46A 1xmuB-4hk9A:
undetectable		 1xmuB-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 ASN A 567
THR A 579
MET A 583
GLN A 615
PHE A 618
 None
 0.29A 1xmuB-4wziA:
52.4		 1xmuB-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 ASN A 567
THR A 579
MET A 583
GLN A 615
PHE A 618
 9VE  A 801 (-4.1A)
9VE  A 801 (-4.1A)
9VE  A 801 ( 4.0A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 0.15A 1xmuB-5ohjA:
52.8		 1xmuB-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 ASN A 321
THR A 333
MET A 337
GLN A 369
PHE A 372
 AKJ  A 601 (-4.3A)
AKJ  A 601 (-4.1A)
AKJ  A 601 ( 3.7A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 0.18A 1xmuB-5wh6A:
52.3		 1xmuB-5wh6A:
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 4 ASN K 419
THR K 392
GLN K 389
PHE K 416
 None
 1.31A 1xmuB-6d6qK:
undetectable		 1xmuB-6d6qK:
undetectable