SIMILAR PATTERNS OF AMINO ACIDS FOR 6B5Y_C_9F2C302_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.
1dy6 CARBAPENEM-HYDROLYSI
NG BETA-LACTAMASE
SME-1

(Serratia
marcescens) 		PF13354
(Beta-lactamase2) 		5 TYR A 104
PRO A 107
TYR A 129
THR A 215
THR A 216
 None
 1.42A 6b5yC-1dy6A:
38.8
6b5yD-1dy6A:
39.1		 6b5yC-1dy6A:
16.09
6b5yD-1dy6A:
16.09
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.
1i8q HYALURONATE LYASE

(Streptococcus
agalactiae) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 THR A 825
ILE A 851
THR A 790
THR A 791
ASP A 797
 None
 1.45A 6b5yC-1i8qA:
0.0
6b5yD-1i8qA:
0.0		 6b5yC-1i8qA:
8.53
6b5yD-1i8qA:
8.53
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.
2ob5 HYPOTHETICAL PROTEIN
ATU2016

(Agrobacterium
fabrum) 		PF05025
(RbsD_FucU) 		5 ILE A 128
TYR A 125
THR A  43
THR A  42
ASP A  30
 None
 1.49A 6b5yC-2ob5A:
0.0
6b5yD-2ob5A:
0.0		 6b5yC-2ob5A:
16.67
6b5yD-2ob5A:
16.67
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.
2wyx BETA-LACTAMSE TOHO-1

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
 0.64A 6b5yC-2wyxA:
40.6
6b5yD-2wyxA:
40.6		 6b5yC-2wyxA:
18.53
6b5yD-2wyxA:
18.53
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.
3bfg CLASS A
BETA-LACTAMASE SED1

(Citrobacter
sedlakii) 		PF13354
(Beta-lactamase2) 		5 PRO A 107
TYR A 129
THR A 215
THR A 216
ASP A 240
 None
None
None
MER  A 301 (-3.6A)
None
 0.80A 6b5yC-3bfgA:
41.0
6b5yD-3bfgA:
41.0		 6b5yC-3bfgA:
18.10
6b5yD-3bfgA:
18.10
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.
3byd BETA-LACTAMASE OXY-1

(Klebsiella
oxytoca) 		PF13354
(Beta-lactamase2) 		5 PRO A 110
TYR A 132
THR A 218
THR A 219
ASP A 242
 None
None
None
SO4  A 301 ( 4.0A)
None
 0.72A 6b5yC-3bydA:
41.4
6b5yD-3bydA:
41.4		 6b5yC-3bydA:
19.09
6b5yD-3bydA:
19.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		5 ILE A 117
PRO A 119
TYR A 141
THR A 231
ASP A 255
 DWZ  A 400 (-4.0A)
DWZ  A 400 ( 4.5A)
None
None
None
 0.80A 6b5yC-3dwzA:
48.1
6b5yD-3dwzA:
48.3		 6b5yC-3dwzA:
100.00
6b5yD-3dwzA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dwz BETA-LACTAMASE

(Mycobacterium
tuberculosis) 		PF13354
(Beta-lactamase2) 		5 PRO A 119
TYR A 141
THR A 231
THR A 232
ASP A 255
 DWZ  A 400 ( 4.5A)
None
None
DWZ  A 400 ( 4.5A)
None
 0.34A 6b5yC-3dwzA:
48.1
6b5yD-3dwzA:
48.3		 6b5yC-3dwzA:
100.00
6b5yD-3dwzA:
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.
4mjk CRISPR PROTEIN

(Archaeoglobus
fulgidus) 		PF09704
(Cas_Cas5d) 		5 THR A  35
ILE A  18
PRO A  32
THR A 116
ASP A 109
 None
 1.42A 6b5yC-4mjkA:
0.0
6b5yD-4mjkA:
0.0		 6b5yC-4mjkA:
16.05
6b5yD-4mjkA:
16.05
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 GLN A 107
ILE A 160
TYR A 148
THR A 152
ASP A 166
 None
 1.44A 6b5yC-4qjyA:
0.0
6b5yD-4qjyA:
0.0		 6b5yC-4qjyA:
11.62
6b5yD-4qjyA:
11.62
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.
4u1c EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF05470
(eIF-3c_N) 		5 ARG C 436
ILE C 459
TYR C 414
THR C 418
ASP C 471
 None
 1.45A 6b5yC-4u1cC:
undetectable
6b5yD-4u1cC:
undetectable		 6b5yC-4u1cC:
8.69
6b5yD-4u1cC:
8.69
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.
4uer EIF3C

(Lachancea
kluyveri) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2) 		5 ARG c 436
ILE c 459
TYR c 414
THR c 418
ASP c 471
 None
 1.44A 6b5yC-4uerc:
undetectable
6b5yD-4uerc:
undetectable		 6b5yC-4uerc:
6.90
6b5yD-4uerc:
6.90
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.
4zuz SIDC

(Legionella
pneumophila) 		no annotation 5 GLN A 143
ILE A 141
TYR A 635
THR A 709
ASP A 175
 None
 1.50A 6b5yC-4zuzA:
undetectable
6b5yD-4zuzA:
undetectable		 6b5yC-4zuzA:
6.48
6b5yD-4zuzA:
6.48
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.
5cdf ATP SYNTHASE SUBUNIT
BETA

(Paracoccus
denitrificans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 GLN E 412
THR E 329
ILE E 132
THR E 301
ASP E 415
 None
 1.12A 6b5yC-5cdfE:
undetectable
6b5yD-5cdfE:
undetectable		 6b5yC-5cdfE:
11.33
6b5yD-5cdfE:
11.33
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.
5k82 APOLIPOPROTEIN B
MRNA EDITING ENZYME,
CATALYTIC
PEPTIDE-LIKE
3G,APOLIPOPROTEIN B
MRNA EDITING ENZYME,
CATALYTIC
PEPTIDE-LIKE 3G

(Macaca mulatta) 		PF08210
(APOBEC_N) 		5 TYR A 182
ILE A 151
TYR A  91
THR A  89
THR A 117
 None
 1.50A 6b5yC-5k82A:
undetectable
6b5yD-5k82A:
undetectable		 6b5yC-5k82A:
14.14
6b5yD-5k82A:
14.14
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.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		5 GLN A 550
ILE A 547
THR A 739
THR A 732
ASP A 577
 None
 1.28A 6b5yC-5uj6A:
undetectable
6b5yD-5uj6A:
undetectable		 6b5yC-5uj6A:
7.26
6b5yD-5uj6A:
7.26
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.
5x2b SULFOTRANSFERASE

(Mus musculus) 		no annotation 5 ARG D  89
THR D  68
ILE D  71
PRO D  70
ASP D  31
 CA  D 304 (-4.3A)
None
None
None
CA  D 302 ( 4.0A)
 1.48A 6b5yC-5x2bD:
undetectable
6b5yD-5x2bD:
undetectable		 6b5yC-5x2bD:
25.00
6b5yD-5x2bD:
25.00