SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'PTX'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 1rgy BETA-LACTAMASE
(Citrobacter
freundii) 		4 / 6 GLN A 120
TYR A 221
VAL A 211
GLY A 214
 PTX  A 400 ( 3.1A)
PTX  A 400 (-3.7A)
None
None
 1.11A 1ekjC-1rgyA:
undetectable
1ekjD-1rgyA:
undetectable		 1ekjC-1rgyA:
19.78
1ekjD-1rgyA:
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		 1rgy BETA-LACTAMASE
(Citrobacter
freundii) 		4 / 8 SER A 324
VAL A  65
SER A  64
ASN A 152
 None
None
PTX  A 400 (-1.5A)
PTX  A 400 (-3.6A)
 1.26A 1hwkA-1rgyA:
undetectable		 1hwkA-1rgyA:
22.31
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.
1HWK_D_117D3_2
(HMG-COA REDUCTASE)		 1rgy BETA-LACTAMASE
(Citrobacter
freundii) 		4 / 8 SER A 324
VAL A  65
SER A  64
ASN A 152
 None
None
PTX  A 400 (-1.5A)
PTX  A 400 (-3.6A)
 1.25A 1hwkD-1rgyA:
undetectable		 1hwkD-1rgyA:
22.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		 1rgy BETA-LACTAMASE
(Citrobacter
freundii) 		6 / 10 GLY A  63
GLN A 120
ASN A 152
TYR A 221
THR A 316
GLY A 317
 PTX  A 400 ( 3.9A)
PTX  A 400 ( 3.1A)
PTX  A 400 (-3.6A)
PTX  A 400 (-3.7A)
None
PTX  A 400 (-3.3A)
 1.22A 1kvlA-1rgyA:
62.5		 1kvlA-1rgyA:
76.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		 1rgy BETA-LACTAMASE
(Citrobacter
freundii) 		8 / 10 LEU A 119
GLN A 120
TYR A 150
ASN A 152
TYR A 221
LYS A 315
THR A 316
GLY A 317
 None
PTX  A 400 ( 3.1A)
PTX  A 400 (-4.7A)
PTX  A 400 (-3.6A)
PTX  A 400 (-3.7A)
PTX  A 400 ( 4.5A)
None
PTX  A 400 (-3.3A)
 0.27A 1kvlA-1rgyA:
62.5		 1kvlA-1rgyA:
76.94
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.
3HUO_A_PNNA300_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 1rgy BETA-LACTAMASE
(Citrobacter
freundii) 		5 / 12 LYS A  67
ASN A 152
LYS A 315
THR A 316
GLY A 317
 PTX  A 400 ( 4.0A)
PTX  A 400 (-3.6A)
PTX  A 400 ( 4.5A)
None
PTX  A 400 (-3.3A)
 0.34A 3huoA-1rgyA:
15.0		 3huoA-1rgyA:
23.53
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 1rgy BETA-LACTAMASE
(Citrobacter
freundii) 		6 / 12 SER A  64
LYS A  67
ASN A 152
GLY A 317
THR A 319
ARG A 349
 PTX  A 400 (-1.5A)
PTX  A 400 ( 4.0A)
PTX  A 400 (-3.6A)
PTX  A 400 (-3.3A)
None
None
 1.03A 3mzeA-1rgyA:
14.7		 3mzeA-1rgyA:
22.56
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.
3MZE_A_CFXA364_1
(D-ALANYL-D-ALANINE
CARBOXYPEPTIDASE
DACA)		 1rgy BETA-LACTAMASE
(Citrobacter
freundii) 		6 / 12 SER A  64
LYS A  67
ASN A 152
THR A 316
GLY A 317
THR A 319
 PTX  A 400 (-1.5A)
PTX  A 400 ( 4.0A)
PTX  A 400 (-3.6A)
None
PTX  A 400 (-3.3A)
None
 0.75A 3mzeA-1rgyA:
14.7		 3mzeA-1rgyA:
22.56
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.
4FH2_A_0RNA303_1
(BETA-LACTAMASE SHV-1)		 1rgy BETA-LACTAMASE
(Citrobacter
freundii) 		5 / 10 ASN A 152
LYS A 315
THR A 316
GLY A 317
ARG A 349
 PTX  A 400 (-3.6A)
PTX  A 400 ( 4.5A)
None
PTX  A 400 (-3.3A)
None
 1.23A 4fh2A-1rgyA:
15.2		 4fh2A-1rgyA:
22.28