SIMILAR PATTERNS OF AMINO ACIDS FOR 1MRL_C_DOLC302_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.
2du7 O-PHOSPHOSERYL-TRNA
SYNTHETASE

(Methanocaldococcus
jannaschii) 		PF01409
(tRNA-synt_2d) 		5 VAL A 327
TYR A 313
TYR A  70
HIS A 198
ASN A  80
 None
 1.02A 1mrlA-2du7A:
0.0
1mrlC-2du7A:
0.0		 1mrlA-2du7A:
15.55
1mrlC-2du7A:
15.55
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.
2g39 ACETYL-COA HYDROLASE

(Pseudomonas
aeruginosa) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 ASN A 269
ASP A 296
ASN A 318
LEU A 313
LEU A 325
 None
 1.48A 1mrlA-2g39A:
0.0
1mrlC-2g39A:
0.0		 1mrlA-2g39A:
17.66
1mrlC-2g39A:
17.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dho STREPTOGRAMIN A
ACETYLTRANSFERASE

(Enterococcus
faecium) 		PF00132
(Hexapep) 		6 TYR A  54
HIS A  82
ASN A  92
LEU A  93
MET A 102
LEU A 108
 None
 0.88A 1mrlA-3dhoA:
31.0
1mrlC-3dhoA:
23.5		 1mrlA-3dhoA:
100.00
1mrlC-3dhoA:
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.
4kem MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azospirillum
lipoferum) 		PF13378
(MR_MLE_C) 		5 VAL A 345
TYR A 342
TYR A  56
HIS A 321
ASN A 214
 None
AKR  A 405 (-4.7A)
None
AKR  A 405 (-4.6A)
AKR  A 405 ( 3.3A)
 1.46A 1mrlA-4kemA:
0.0
1mrlC-4kemA:
0.0		 1mrlA-4kemA:
19.11
1mrlC-4kemA:
19.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4myo VIRGINIAMYCIN A
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00132
(Hexapep) 		5 TYR A  59
HIS A  87
LEU A  98
MET A 107
LEU A 113
 None
 0.64A 1mrlA-4myoA:
29.0
1mrlC-4myoA:
29.1		 1mrlA-4myoA:
59.52
1mrlC-4myoA:
59.52
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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		5 VAL A 175
ASP A 174
TYR A 167
ASN A 243
LEU A 242
 None
CA  A 602 (-3.4A)
None
None
None
 1.46A 1mrlA-4z2aA:
0.0
1mrlC-4z2aA:
0.0		 1mrlA-4z2aA:
16.41
1mrlC-4z2aA:
16.41
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.
5ndz LYSOZYME,PROTEINASE-
ACTIVATED RECEPTOR
2,SOLUBLE CYTOCHROME
B562,PROTEINASE-ACTI
VATED RECEPTOR 2

(Escherichia
coli;
Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
PF07361
(Cytochrom_B562) 		5 VAL A  61
ASP A  62
TYR A 326
ASN A 139
LEU A  69
 None
 1.44A 1mrlA-5ndzA:
0.0
1mrlC-5ndzA:
0.0		 1mrlA-5ndzA:
16.69
1mrlC-5ndzA:
16.69
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.
5yhj CYTOCHROME P450

(Exiguobacterium
sp. AT1b) 		no annotation 5 VAL A 384
TYR A 382
TYR A 283
LEU A 404
LEU A 369
 None
 1.29A 1mrlA-5yhjA:
0.0
1mrlC-5yhjA:
0.0		 1mrlA-5yhjA:
17.59
1mrlC-5yhjA:
17.59