SIMILAR PATTERNS OF AMINO ACIDS FOR 5CP3_A_YTZA301

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.
1l7v VITAMIN B12
TRANSPORT
ATP-BINDING PROTEIN
BTUD

(Escherichia
coli) 		PF00005
(ABC_tran) 		5 ASN C 108
LEU C 120
GLN C  98
ALA C 138
GLY C 112
 None
 1.32A 5cp3A-1l7vC:
0.0
5cp3H-1l7vC:
0.0		 5cp3A-1l7vC:
20.22
5cp3H-1l7vC:
20.23
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.
1lc7 L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		5 LEU A 184
GLN A 169
ASN A 205
ALA A 201
GLY A 197
 None
 1.14A 5cp3A-1lc7A:
0.0
5cp3H-1lc7A:
0.0		 5cp3A-1lc7A:
20.11
5cp3H-1lc7A:
18.41
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.
1tis THYMIDYLATE SYNTHASE

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		5 HIS A 217
ASN A 215
ALA A  28
TYR A 219
GLY A  25
 None
 1.37A 5cp3A-1tisA:
undetectable
5cp3H-1tisA:
undetectable		 5cp3A-1tisA:
22.51
5cp3H-1tisA:
22.76
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.
2w38 SIALIDASE

(Pseudomonas
aeruginosa) 		PF13088
(BNR_2) 		5 ASN A 311
GLN A  26
HIS A 131
ALA A 238
GLY A 296
 None
 1.46A 5cp3A-2w38A:
undetectable
5cp3H-2w38A:
0.0		 5cp3A-2w38A:
19.29
5cp3H-2w38A:
21.89
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.
3let ADENOSINE
MONOPHOSPHATE-PROTEI
N TRANSFERASE VOPS

(Vibrio
parahaemolyticus) 		PF02661
(Fic) 		5 ASN A 185
ARG A 189
GLN A 183
ALA A 138
GLY A 176
 None
 1.30A 5cp3A-3letA:
undetectable
5cp3H-3letA:
undetectable		 5cp3A-3letA:
21.14
5cp3H-3letA:
19.63
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.
3umt SCFV HEAVY CHAIN AND
LIGHT CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 ASN A 171
LEU A 173
ARG A 183
HIS A  37
TRP A 111
 None
 0.82A 5cp3A-3umtA:
20.7
5cp3H-3umtA:
18.8		 5cp3A-3umtA:
24.52
5cp3H-3umtA:
33.47
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.
3umt SCFV HEAVY CHAIN AND
LIGHT CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 ASN A 171
LEU A 173
HIS A  37
ALA A  99
TRP A 111
 None
 0.82A 5cp3A-3umtA:
20.7
5cp3H-3umtA:
18.8		 5cp3A-3umtA:
24.52
5cp3H-3umtA:
33.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4pb0 AB53 HEAVY CHAIN
AB53 LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 ASN L  34
LEU L  36
ARG L  46
TRP L  89
TRP H 103
 None
 0.80A 5cp3A-4pb0L:
28.3
5cp3H-4pb0L:
15.5		 5cp3A-4pb0L:
94.91
5cp3H-4pb0L:
29.69
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.
4wgk NEUTRAL CERAMIDASE

(Homo sapiens) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 ASN A 680
TRP A 721
HIS A 722
ASN A 730
GLY A 727
 None
None
NAG  A 803 (-3.8A)
NAG  A 803 (-1.9A)
None
 1.37A 5cp3A-4wgkA:
0.5
5cp3H-4wgkA:
6.7		 5cp3A-4wgkA:
15.67
5cp3H-4wgkA:
16.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tbd FV FRAGMENT (MAB4D1)
HEAVY CHAIN

(Mus musculus) 		no annotation 5 ASN F  39
LEU F  41
ARG F  51
ALA E  97
TRP E 104
 None
 0.71A 5cp3A-5tbdF:
23.4
5cp3H-5tbdF:
15.3		 5cp3A-5tbdF:
91.96
5cp3H-5tbdF:
19.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5tbd FV FRAGMENT (MAB4D1)
HEAVY CHAIN

(Mus musculus) 		no annotation 5 ASN F  39
LEU F  41
HIS E  35
ALA E  97
TRP E 104
 None
 0.71A 5cp3A-5tbdF:
23.4
5cp3H-5tbdF:
15.3		 5cp3A-5tbdF:
91.96
5cp3H-5tbdF:
19.43
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 5 LEU A 119
ARG A 114
HIS A  71
ALA A  72
GLY A  76
 None
None
ZN  A 401 (-3.4A)
None
None
 1.39A 5cp3A-5xgwA:
undetectable
5cp3H-5xgwA:
undetectable		 5cp3A-5xgwA:
17.35
5cp3H-5xgwA:
15.87
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CSE1 FAMILY

(Thermobifida
fusca) 		no annotation 5 LEU A 273
ARG A 272
HIS A 222
ALA A  66
TYR A 312
 None
 1.38A 5cp3A-6c66A:
undetectable
5cp3H-6c66A:
undetectable		 5cp3A-6c66A:
16.28
5cp3H-6c66A:
18.45
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 LEU A 416
ARG A 419
TRP A 412
ASN A 405
ALA A 442
 None
 1.49A 5cp3A-6etzA:
3.0
5cp3H-6etzA:
5.2		 5cp3A-6etzA:
16.82
5cp3H-6etzA:
19.19