SIMILAR PATTERNS OF AMINO ACIDS FOR 5CLT_A_ACRA1000_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.
1kbv MAJOR OUTER MEMBRANE
PROTEIN PAN 1

(Neisseria
gonorrhoeae) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 GLU A 166
PRO A 128
GLY A 129
GLU A 155
ARG A  73
 None
 1.42A 5cltA-1kbvA:
1.3		 5cltA-1kbvA:
17.16
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.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT

(Klebsiella
pneumoniae) 		PF08841
(DDR) 		5 ASN A 481
GLU A 480
PRO A 567
GLU A 565
ARG A 523
 None
 1.43A 5cltA-1nbwA:
0.9		 5cltA-1nbwA:
21.42
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.
2olg PRO-PHENOLOXIDASE
ACTIVATING ENZYME-I

(Holotrichia
diomphalia) 		PF00089
(Trypsin) 		5 ASN A 245
GLU A 246
GLY A 332
GLU A 331
ARG A 323
 None
 1.10A 5cltA-2olgA:
0.0		 5cltA-2olgA:
17.85
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.
3bkp CYCLOPHILIN

(Toxoplasma
gondii) 		PF00160
(Pro_isomerase) 		5 PRO A 205
TYR A  57
GLY A  56
GLU A  55
ARG A 202
 None
GOL  A 304 ( 4.6A)
None
None
GOL  A 304 (-2.8A)
 1.30A 5cltA-3bkpA:
0.0		 5cltA-3bkpA:
17.90
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.
3re9 SORTASE-LIKE PROTEIN

(Streptococcus
suis) 		PF04203
(Sortase) 		5 GLU A 107
TYR A  99
GLY A  95
GLU A  98
ARG A 101
 None
 1.47A 5cltA-3re9A:
0.0		 5cltA-3re9A:
13.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vu2 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		7 GLU A  45
TRP A  72
PRO A  74
GLY A 101
TRP A 319
GLU A 320
ARG A 323
 CEX  A 803 (-3.2A)
CEX  A 803 (-4.2A)
CEX  A 803 (-4.2A)
CEX  A 803 (-3.6A)
CEX  A 803 (-3.8A)
CEX  A 803 (-3.5A)
CEX  A 803 (-4.2A)
 0.49A 5cltA-3vu2A:
48.0		 5cltA-3vu2A:
52.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		10 ASN A  62
GLU A  63
TRP A  91
PRO A  93
TYR A 119
GLY A 120
LYS A 121
TRP A 332
GLU A 333
ARG A 336
 GLC  A1004 ( 3.2A)
GLC  A1004 ( 3.4A)
GLC  A1006 ( 3.8A)
GLC  A1007 ( 4.0A)
GLC  A1005 ( 3.8A)
GLC  A1007 ( 3.7A)
GLC  A1005 ( 2.9A)
GLC  A1005 ( 4.8A)
GLC  A1005 ( 3.5A)
GLC  A1005 ( 4.3A)
 0.32A 5cltA-5clwA:
64.8		 5cltA-5clwA:
100.00