SIMILAR PATTERNS OF AMINO ACIDS FOR 4RFQ_A_SAMA401_0

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.
3be5 PUTATIVE IRON
COMPOUND-BINDING
PROTEIN OF ABC
TRANSPORTER FAMILY

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		5 PRO A  52
GLU A  55
ILE A 288
GLN A 168
TYR A 145
 None
 1.22A 4rfqA-3be5A:
1.3		 4rfqA-3be5A:
20.96
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.
3exh PYRUVATE
DEHYDROGENASE E1
COMPONENT SUBUNIT
BETA, MITOCHONDRIAL

(Homo sapiens) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLU B 171
PRO B 117
ILE B 193
GLU B 173
TYR B  37
 None
 1.28A 4rfqA-3exhB:
0.0		 4rfqA-3exhB:
21.78
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.
3nyo G PROTEIN-COUPLED
RECEPTOR KINASE 6

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 GLU A 377
PRO A 384
ILE A 325
TYR A 376
TYR A 351
 None
 1.37A 4rfqA-3nyoA:
0.0		 4rfqA-3nyoA:
18.04
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.
4l1n CONSERVED
LIPOPROTEIN,
PUTATIVE

(Clostridium
novyi) 		PF15525
(DUF4652) 		5 PRO A  97
GLU A 116
ILE A 132
GLU A 124
THR A 101
 None
 1.31A 4rfqA-4l1nA:
0.0		 4rfqA-4l1nA:
23.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		12 PRO A  78
GLU A  89
PRO A  90
ILE A 168
TRP A 169
GLN A 216
TYR A 218
GLU A 269
TRP A 270
THR A 295
TYR A 297
TYR A 301
 SAM  A 401 (-4.4A)
SAM  A 401 (-3.3A)
SAM  A 401 (-4.4A)
SAM  A 401 (-4.6A)
SAM  A 401 (-3.5A)
SAM  A 401 (-3.5A)
None
SAM  A 401 (-4.0A)
SAM  A 401 (-3.2A)
SAM  A 401 (-4.6A)
None
SAM  A 401 (-3.5A)
 0.00A 4rfqA-4rfqA:
49.6		 4rfqA-4rfqA:
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.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 GLU A 377
PRO A 384
ILE A 325
TYR A 376
GLU A 406
 None
 1.43A 4rfqA-4tnbA:
0.0		 4rfqA-4tnbA:
18.85
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.
4tnb G PROTEIN-COUPLED
RECEPTOR KINASE 5

(Homo sapiens) 		PF00069
(Pkinase)
PF00615
(RGS) 		5 GLU A 377
PRO A 384
ILE A 325
TYR A 376
TYR A 351
 None
 1.41A 4rfqA-4tnbA:
0.0		 4rfqA-4tnbA:
18.85
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.
4zaa FDC1

(Aspergillus
niger) 		PF01977
(UbiD) 		5 PRO A 189
ILE A 227
GLU A 282
THR A 395
TYR A 394
 None
None
CO2  A 608 ( 4.8A)
4M4  A 606 (-4.3A)
4M4  A 606 (-3.4A)
 1.22A 4rfqA-4zaaA:
0.0		 4rfqA-4zaaA:
20.87
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 PRO A 120
ILE A  87
GLU A 112
THR A  74
TYR A  75
 None
 1.37A 4rfqA-5z06A:
0.0		 4rfqA-5z06A:
undetectable