SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3kws'

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.
1ICU_C_NIOC225_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		4 / 6 THR A 228
PHE A 224
PHE A 238
GLY A 222
 None
 1.10A 1icuC-3kwsA:
undetectable
1icuD-3kwsA:
undetectable		 1icuC-3kwsA:
21.11
1icuD-3kwsA:
21.11
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.
1KQB_A_BEZA524_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		4 / 6 THR A 228
PHE A 224
PHE A 238
GLY A 222
 None
 1.10A 1kqbA-3kwsA:
undetectable
1kqbB-3kwsA:
undetectable		 1kqbA-3kwsA:
20.34
1kqbB-3kwsA:
20.34
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.
1KQB_C_BEZC522_0
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		4 / 6 THR A 228
PHE A 224
PHE A 238
GLY A 222
 None
 1.08A 1kqbC-3kwsA:
undetectable
1kqbD-3kwsA:
undetectable		 1kqbC-3kwsA:
20.34
1kqbD-3kwsA:
20.34
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.
1UDT_A_VIAA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		5 / 12 ALA A  60
ILE A  59
VAL A  77
LEU A  51
PHE A 286
 None
 1.04A 1udtA-3kwsA:
undetectable		 1udtA-3kwsA:
21.35
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.
2H42_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		5 / 11 ALA A  60
ILE A  59
VAL A  77
LEU A  51
PHE A 286
 None
 1.04A 2h42A-3kwsA:
undetectable		 2h42A-3kwsA:
21.22
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.
2H42_B_VIAB902_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		5 / 12 ALA A  60
ILE A  59
VAL A  77
LEU A  51
PHE A 286
 None
 1.01A 2h42B-3kwsA:
undetectable		 2h42B-3kwsA:
21.22
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.
2Z0Y_B_SAMB400_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		5 / 9 ALA A 151
GLY A 154
LEU A 117
ILE A 123
ALA A 158
 None
 0.89A 2z0yB-3kwsA:
3.6		 2z0yB-3kwsA:
20.76
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.
3O94_A_NCAA192_0
(NICOTINAMIDASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		5 / 11 LEU A 192
ASP A 223
GLU A 287
HIS A 226
ILE A 147
 None
MG  A 401 (-3.1A)
MG  A 401 (-2.6A)
None
None
 1.40A 3o94A-3kwsA:
undetectable		 3o94A-3kwsA:
20.96
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.
3O94_B_NCAB192_0
(NICOTINAMIDASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		5 / 11 LEU A 192
ASP A 223
GLU A 287
HIS A 226
ILE A 147
 None
MG  A 401 (-3.1A)
MG  A 401 (-2.6A)
None
None
 1.39A 3o94B-3kwsA:
undetectable		 3o94B-3kwsA:
20.96
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.
3O94_C_NCAC192_0
(NICOTINAMIDASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		5 / 11 LEU A 192
ASP A 223
GLU A 287
HIS A 226
ILE A 147
 None
MG  A 401 (-3.1A)
MG  A 401 (-2.6A)
None
None
 1.42A 3o94C-3kwsA:
undetectable		 3o94C-3kwsA:
20.96
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.
3O94_D_NCAD192_0
(NICOTINAMIDASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		5 / 11 LEU A 192
ASP A 223
GLU A 287
HIS A 226
ILE A 147
 None
MG  A 401 (-3.1A)
MG  A 401 (-2.6A)
None
None
 1.41A 3o94D-3kwsA:
undetectable		 3o94D-3kwsA:
20.96
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.
4FGL_D_CLQD303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		4 / 7 ASN A 215
GLY A 217
VAL A 218
ILE A 135
 None
 0.89A 4fglC-3kwsA:
undetectable		 4fglC-3kwsA:
24.67
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.
4FWD_A_BO2A801_1
(TTC1975 PEPTIDASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		5 / 9 VAL A 146
GLU A 133
ILE A 135
GLY A 139
SER A 143
 None
 1.11A 4fwdA-3kwsA:
undetectable		 4fwdA-3kwsA:
17.60
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.
4LB0_B_ACTB401_0
(UNCHARACTERIZED
PROTEIN)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		4 / 5 VAL A 250
LEU A  53
VAL A  77
PHE A 286
 None
 1.05A 4lb0B-3kwsA:
undetectable		 4lb0B-3kwsA:
23.69
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.
4TXN_A_URFA302_1
(URIDINE
PHOSPHORYLASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		4 / 7 THR A 185
GLY A 142
ALA A 138
ILE A 108
 None
 0.95A 4txnA-3kwsA:
undetectable		 4txnA-3kwsA:
20.82
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.
4TXN_B_URFB302_1
(URIDINE
PHOSPHORYLASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		4 / 7 THR A 185
GLY A 142
ALA A 138
ILE A 108
 None
 0.94A 4txnB-3kwsA:
undetectable		 4txnB-3kwsA:
20.82
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.
4TXN_D_URFD302_1
(URIDINE
PHOSPHORYLASE)		 3kws PUTATIVE SUGAR
ISOMERASE
(Parabacteroides
distasonis) 		4 / 7 THR A 185
GLY A 142
ALA A 138
ILE A 108
 None
 0.94A 4txnD-3kwsA:
undetectable		 4txnD-3kwsA:
20.82