SIMILAR PATTERNS OF AMINO ACIDS FOR 4DX7_A_DM2A1105_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.
2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 PHE A 144
GLY A  88
ASP A 110
ARG A 101
ARG A 362
 None
None
None
None
UDP  A 601 (-4.1A)
 1.38A 4dx7A-2ffuA:
0.0		 4dx7A-2ffuA:
18.64
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.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		5 PHE A 293
GLY A 344
ARG A 378
ARG A 296
GLN A 347
 None
 1.16A 4dx7A-2xdrA:
0.0		 4dx7A-2xdrA:
19.45
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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		5 PHE A  24
THR A 167
GLY A 196
ASN A 297
GLN A 195
 None
BME  A 403 ( 4.9A)
None
None
None
 1.42A 4dx7A-3fnbA:
0.0		 4dx7A-3fnbA:
17.23
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.
3um1 BRO1
DOMAIN-CONTAINING
PROTEIN BROX

(Homo sapiens) 		PF03097
(BRO1) 		5 PHE A  47
THR A  93
GLY A  98
ARG A 128
GLN A  99
 None
 1.37A 4dx7A-3um1A:
0.0		 4dx7A-3um1A:
17.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 GLY A 679
ARG A 717
ASN A 719
GLN A 830
MET A 862
 None
 0.96A 4dx7A-3w9hA:
61.2		 4dx7A-3w9hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		7 MET A 575
GLY A 679
ASP A 681
ARG A 717
ASN A 719
GLU A 826
MET A 862
 None
 0.71A 4dx7A-3w9hA:
61.2		 4dx7A-3w9hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		7 MET A 575
GLY A 679
ASP A 681
ASN A 719
ARG A 815
GLU A 826
MET A 862
 None
 0.70A 4dx7A-3w9hA:
61.2		 4dx7A-3w9hA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		7 MET A 575
THR A 676
ASP A 681
ASN A 719
ARG A 815
GLU A 826
MET A 862
 None
 0.95A 4dx7A-3w9hA:
61.2		 4dx7A-3w9hA:
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.
3zcw KINESIN-LIKE PROTEIN
KIF11

(Homo sapiens) 		PF00225
(Kinesin) 		5 MET A  70
THR A 114
GLY A 134
ARG A 329
GLN A  78
 None
 1.42A 4dx7A-3zcwA:
0.4		 4dx7A-3zcwA:
15.68
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.
4me4 METAL DEPENDENT
PHOSPHOHYDROLASE

(Persephonella
marina) 		PF01590
(GAF)
PF01966
(HD) 		5 THR A 251
GLY A 224
ASP A 222
ARG A 314
GLU A 185
 None
None
FE  A 402 ( 2.5A)
None
IMD  A 407 (-2.4A)
 1.26A 4dx7A-4me4A:
0.0		 4dx7A-4me4A:
15.85
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.
4oav PROTEIN (RNASE L)

(Homo sapiens) 		PF00069
(Pkinase)
PF06479
(Ribonuc_2-5A)
PF12796
(Ank_2)
PF13857
(Ank_5) 		5 MET B 130
PHE B 126
GLY B 202
ARG B 154
GLU B 162
 None
A  C   3 ( 3.6A)
None
None
None
 1.48A 4dx7A-4oavB:
0.1		 4dx7A-4oavB:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		8 MET A 575
PHE A 617
GLY A 679
ASP A 681
ARG A 717
ASN A 719
GLU A 826
GLN A 830
 None
 0.66A 4dx7A-5enoA:
50.5		 4dx7A-5enoA:
73.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		6 MET A 662
GLY A 679
ASP A 681
ASN A 719
GLU A 826
MET A 862
 None
 1.22A 4dx7A-5enoA:
50.5		 4dx7A-5enoA:
73.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eno MULTIDRUG EFFLUX
PUMP SUBUNIT
ACRB,MULTIDRUG
EFFLUX PUMP SUBUNIT
ACRB

(Escherichia
coli) 		PF00873
(ACR_tran) 		9 PHE A 617
GLY A 679
ASP A 681
ARG A 717
ASN A 719
ARG A 815
GLU A 826
GLN A 830
MET A 862
 None
 0.67A 4dx7A-5enoA:
50.5		 4dx7A-5enoA:
73.16
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.
5xtb NADH DEHYDROGENASE
[UBIQUINONE]
FLAVOPROTEIN 2,
MITOCHONDRIAL
NADH-UBIQUINONE
OXIDOREDUCTASE 75
KDA SUBUNIT,
MITOCHONDRIAL

(Homo sapiens) 		PF00384
(Molybdopterin)
PF01257
(2Fe-2S_thioredx)
PF09326
(NADH_dhqG_C)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4) 		5 THR M 208
GLY M 196
ASP M 193
ARG M 408
MET O 110
 None
 1.29A 4dx7A-5xtbM:
0.0		 4dx7A-5xtbM:
20.92