SIMILAR PATTERNS OF AMINO ACIDS FOR 4JKU_B_ADNB500_2

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.
1fcp PROTEIN (FERRIC
HYDROXAMATE UPTAKE
RECEPTOR)

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 SER A  49
ILE A 581
TYR A 502
PRO A  74
 None
 1.31A 4jkuB-1fcpA:
0.0		 4jkuB-1fcpA:
19.32
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.
1ydm HYPOTHETICAL PROTEIN
YQGN

(Bacillus
subtilis) 		PF01812
(5-FTHF_cyc-lig) 		4 SER A  49
ILE A 120
TYR A  97
PRO A 122
 None
 1.40A 4jkuB-1ydmA:
2.8		 4jkuB-1ydmA:
18.61
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.
3m5w TRYPTOPHANYL-TRNA
SYNTHETASE

(Campylobacter
jejuni) 		PF00579
(tRNA-synt_1b) 		4 SER A  93
ILE A 152
TYR A  89
PRO A  97
 None
 1.38A 4jkuB-3m5wA:
0.9		 4jkuB-3m5wA:
22.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		4 SER A  60
ILE A 117
TYR A 158
PRO A 314
 ADN  A 353 (-4.6A)
None
ADN  A 353 (-3.6A)
ADN  A 353 (-4.2A)
 0.16A 4jkuB-3uboA:
57.0		 4jkuB-3uboA:
71.88
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.
3vta CUCUMISIN

(Cucumis melo) 		PF00082
(Peptidase_S8) 		4 SER A 291
ILE A 269
TYR A 259
PRO A 547
 None
 1.45A 4jkuB-3vtaA:
3.9		 4jkuB-3vtaA:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		4 SER A  58
ILE A 115
TYR A 156
PRO A 312
 ADN  A 500 (-3.3A)
None
ADN  A 500 (-3.8A)
ADN  A 500 (-4.3A)
 0.51A 4jkuB-4e3aA:
62.2		 4jkuB-4e3aA:
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.
4im7 HYPOTHETICAL
OXIDOREDUCTASE YDFI

(Escherichia
coli) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 SER A 122
ILE A 260
TYR A  55
PRO A 219
 None
 1.45A 4jkuB-4im7A:
2.5		 4jkuB-4im7A:
25.19
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.
4kh9 HYPOTHETICAL PROTEIN

(Legionella
pneumophila) 		PF16024
(DUF4785) 		4 SER A  83
ILE A 145
TYR A  67
PRO A 109
 None
 1.26A 4jkuB-4kh9A:
undetectable		 4jkuB-4kh9A:
22.86
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.
4ony EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 5

(Brucella
melitensis) 		PF00496
(SBP_bac_5) 		4 SER A 415
ILE A 427
TYR A 411
PRO A 429
 None
 1.42A 4jkuB-4onyA:
0.0		 4jkuB-4onyA:
21.34
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.
5m5p PRE-MRNA-SPLICING
HELICASE BRR2

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		4 SER A 900
ILE A 908
TYR A 897
PRO A 675
 None
 1.35A 4jkuB-5m5pA:
undetectable		 4jkuB-5m5pA:
10.91
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.
5u1s SEPARIN

(Saccharomyces
cerevisiae) 		PF03568
(Peptidase_C50) 		4 SER A1398
ILE A1548
TYR A1538
PRO A1420
 None
 1.37A 4jkuB-5u1sA:
undetectable		 4jkuB-5u1sA:
11.93
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.
5w8x LIPID-A-DISACCHARIDE
SYNTHASE

(Escherichia
coli) 		no annotation 4 SER A 122
ILE A 104
TYR A 154
PRO A 100
 None
 1.48A 4jkuB-5w8xA:
6.1		 4jkuB-5w8xA:
14.49
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.
6c4r STAPHYLOPINE
DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 4 SER A 123
ILE A 141
TYR A  96
PRO A 202
 None
 0.90A 4jkuB-6c4rA:
undetectable		 4jkuB-6c4rA:
15.36