SIMILAR PATTERNS OF AMINO ACIDS FOR 5J2T_C_VLBC503_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.
1a0i DNA LIGASE

(Escherichia
virus T7) 		PF01068
(DNA_ligase_A_M) 		5 LYS A  97
VAL A  96
ASP A 100
THR A 115
LEU A 139
 None
 1.38A 5j2tB-1a0iA:
undetectable		 5j2tB-1a0iA:
23.31
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.
1t61 TYPE IV COLLAGEN

(Bos taurus) 		PF01413
(C4) 		5 VAL A  36
ASP A  78
TYR A  35
PHE A 173
LEU A  33
 None
CL  A 810 (-4.9A)
None
None
None
 1.45A 5j2tB-1t61A:
undetectable		 5j2tB-1t61A:
19.08
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 LYS A1083
VAL A1081
TYR A1080
TYR A1065
LEU A1077
 None
 1.36A 5j2tB-2b39A:
0.0		 5j2tB-2b39A:
14.21
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.
2zab ALGINATE LYASE

(Sphingomonas
sp. A1) 		PF08787
(Alginate_lyase2) 		5 PHE A  89
THR A 122
PRO A  85
TYR A 115
LEU A 111
 GOL  A 601 ( 4.6A)
None
None
None
None
 1.49A 5j2tB-2zabA:
0.0		 5j2tB-2zabA:
18.71
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.
3gmt ADENYLATE KINASE

(Burkholderia
pseudomallei) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 VAL A 106
ASP A 104
TYR A 182
PRO A  87
LEU A   6
 None
 1.27A 5j2tB-3gmtA:
1.9		 5j2tB-3gmtA:
21.25
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.
3kx6 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Babesia bovis) 		PF00274
(Glycolytic) 		5 VAL A 105
ASP A  31
THR A 122
TYR A 172
LEU A 127
 None
 1.31A 5j2tB-3kx6A:
0.0		 5j2tB-3kx6A:
22.15
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.
3oc5 TOXIN COREGULATED
PILUS BIOSYNTHESIS
PROTEIN F

(Vibrio cholerae) 		PF06340
(TcpF) 		5 ASP A  97
THR A 111
PRO A 110
TYR A 148
LEU A 141
 None
 1.45A 5j2tB-3oc5A:
0.0		 5j2tB-3oc5A:
19.78
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.
3vss BETA-FRUCTOFURANOSID
ASE

(Microbacterium
saccharophilum) 		PF02435
(Glyco_hydro_68) 		5 VAL A 136
ASP A 138
PHE A 470
THR A 485
TYR A 174
 None
 1.05A 5j2tB-3vssA:
0.0		 5j2tB-3vssA:
21.68
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.
4myr CPAE2 PILUS ASSEMBLY
PROTEIN

(Sinorhizobium
meliloti) 		no annotation 5 VAL A  83
ASP A  32
THR A 107
TYR A  74
LEU A 101
 None
 1.28A 5j2tB-4myrA:
2.3		 5j2tB-4myrA:
16.90
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.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 VAL A 875
ASP A 909
PHE A 929
THR A 879
LEU A 887
 None
 1.31A 5j2tB-4n3nA:
2.0		 5j2tB-4n3nA:
22.28
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.
4np6 ADENYLATE KINASE

(Vibrio cholerae) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 VAL A 106
ASP A 104
TYR A 182
PRO A  87
LEU A   6
 None
 1.12A 5j2tB-4np6A:
3.0		 5j2tB-4np6A:
19.20
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		5 LYS A 431
VAL A 430
ASP A 434
TYR A 427
PHE A 547
 ACT  A 810 (-4.9A)
None
None
None
None
 1.48A 5j2tB-5bv9A:
undetectable		 5j2tB-5bv9A:
19.30
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.
5kdj F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		no annotation 5 VAL B 964
PHE B 966
THR B 988
TYR B 985
LEU B 940
 None
 1.44A 5j2tB-5kdjB:
undetectable		 5j2tB-5kdjB:
20.79
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.
5kds F5/8 TYPE C DOMAIN
PROTEIN

(Clostridium
perfringens) 		PF13402
(Peptidase_M60) 		5 VAL A 964
PHE A 966
THR A 988
TYR A 985
LEU A 940
 None
 1.44A 5j2tB-5kdsA:
undetectable		 5j2tB-5kdsA:
20.77