SIMILAR PATTERNS OF AMINO ACIDS FOR 4LBX_A_ADNA401_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
 1.30A 4lbxA-1fcpA:
0.0		 4lbxA-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
 1.41A 4lbxA-1ydmA:
2.8		 4lbxA-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.
3tjr SHORT CHAIN
DEHYDROGENASE

(Mycobacterium
avium) 		PF00106
(adh_short) 		4 SER A 147
ILE A  22
TYR A 160
PRO A 251
 UNL  A 281 ( 2.6A)
UNL  A 281 ( 4.3A)
UNL  A 281 ( 4.7A)
None
 1.46A 4lbxA-3tjrA:
6.6		 4lbxA-3tjrA:
23.22
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)
 0.15A 4lbxA-3uboA:
56.8		 4lbxA-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.
4ako SPORE COAT PROTEIN A

(Bacillus
subtilis) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 SER A 459
ILE A 467
TYR A 300
PRO A 456
 EDO  A1517 ( 3.8A)
None
None
None
 0.99A 4lbxA-4akoA:
0.0		 4lbxA-4akoA:
19.49
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 362
ILE A 591
TYR A 364
PRO A 174
 None
 1.22A 4lbxA-4cw4A:
0.0		 4lbxA-4cw4A:
21.12
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)
 0.50A 4lbxA-4e3aA:
62.3		 4lbxA-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
 1.43A 4lbxA-4im7A:
2.5		 4lbxA-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
 1.28A 4lbxA-4kh9A:
undetectable		 4lbxA-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
 1.41A 4lbxA-4onyA:
undetectable		 4lbxA-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.
5l7n PLEXIN-A1

(Mus musculus) 		PF01833
(TIG) 		4 SER A1056
ILE A1051
TYR A1144
PRO A1053
 None
EDO  A1304 ( 4.6A)
None
None
 1.39A 4lbxA-5l7nA:
undetectable		 4lbxA-5l7nA:
20.66
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
 1.38A 4lbxA-5m5pA:
undetectable		 4lbxA-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.
6c4r STAPHYLOPINE
DEHYDROGENASE

(Staphylococcus
aureus) 		no annotation 4 SER A 123
ILE A 141
TYR A  96
PRO A 202
 None
 0.94A 4lbxA-6c4rA:
4.2		 4lbxA-6c4rA:
15.36