SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4qni'

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.
1DHF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 ILE A 269
PHE A 237
PHE A 257
ILE A 226
LEU A 334
 None
EDO  A 405 ( 4.6A)
EDO  A 403 (-4.9A)
EDO  A 403 (-4.3A)
None
 1.11A 1dhfA-4qniA:
undetectable		 1dhfA-4qniA:
19.05
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.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 6 THR A 324
ASP A 249
THR A 248
ASP A 244
 None
 1.24A 2okcB-4qniA:
undetectable		 2okcB-4qniA:
21.76
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.
2WEK_A_DIFA1375_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU A 143
TYR A  70
GLN A  71
 None
 0.69A 2wekA-4qniA:
undetectable		 2wekA-4qniA:
21.98
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.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 5 GLU A 119
LEU A 121
HIS A  92
GLY A 117
 None
 1.15A 3pp1A-4qniA:
undetectable		 3pp1A-4qniA:
21.33
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 VAL A 243
ILE A 200
SER A 220
ILE A 242
THR A 238
 None
EDO  A 403 ( 4.1A)
None
None
EDO  A 403 (-3.4A)
 1.21A 3qfxA-4qniA:
undetectable		 3qfxA-4qniA:
21.63
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.
3QFX_B_CP6B702_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 VAL A 243
ILE A 200
SER A 220
ILE A 242
THR A 238
 None
EDO  A 403 ( 4.1A)
None
None
EDO  A 403 (-3.4A)
 1.21A 3qfxB-4qniA:
undetectable		 3qfxB-4qniA:
21.63
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.
3RUK_D_AERD601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 11 PHE A 257
ASN A 202
ILE A 200
GLY A 241
ALA A 240
 EDO  A 403 (-4.9A)
EDO  A 403 ( 4.9A)
EDO  A 403 ( 4.1A)
EDO  A 403 (-3.6A)
None
 1.12A 3rukD-4qniA:
undetectable		 3rukD-4qniA:
20.83
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.
4A97_A_ZPCA1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 TYR A 328
VAL A 330
ILE A 200
ASN A 202
 None
None
EDO  A 403 ( 4.1A)
EDO  A 403 ( 4.9A)
 1.03A 4a97E-4qniA:
undetectable		 4a97E-4qniA:
20.45
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.
4A97_D_ZPCD1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 8 TYR A 328
VAL A 330
ILE A 200
ASN A 202
 None
None
EDO  A 403 ( 4.1A)
EDO  A 403 ( 4.9A)
 1.00A 4a97C-4qniA:
undetectable		 4a97C-4qniA:
20.45
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.
4A97_E_ZPCE1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 8 TYR A 328
VAL A 330
ILE A 200
ASN A 202
 None
None
EDO  A 403 ( 4.1A)
EDO  A 403 ( 4.9A)
 0.98A 4a97D-4qniA:
undetectable		 4a97D-4qniA:
20.45
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.
4A97_H_ZPCH1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 8 TYR A 328
VAL A 330
ILE A 200
ASN A 202
 None
None
EDO  A 403 ( 4.1A)
EDO  A 403 ( 4.9A)
 1.02A 4a97G-4qniA:
undetectable		 4a97G-4qniA:
20.45
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.
4A97_I_ZPCI1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 TYR A 328
VAL A 330
ILE A 200
ASN A 202
 None
None
EDO  A 403 ( 4.1A)
EDO  A 403 ( 4.9A)
 1.07A 4a97H-4qniA:
undetectable		 4a97H-4qniA:
20.45
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.
4A97_J_ZPCJ1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 8 TYR A 328
VAL A 330
ILE A 200
ASN A 202
 None
None
EDO  A 403 ( 4.1A)
EDO  A 403 ( 4.9A)
 1.05A 4a97I-4qniA:
undetectable		 4a97I-4qniA:
20.45
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.
4DAJ_A_0HKA2000_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR M3,
LYSOZYME)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 ASP A 249
TYR A 247
TYR A 328
ASN A 202
TYR A 318
 None
None
None
EDO  A 403 ( 4.9A)
None
 1.37A 4dajA-4qniA:
undetectable		 4dajA-4qniA:
21.73
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.
4NDN_C_SAMC405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 HIS A  54
ASP A 348
SER A 192
PHE A 188
 EDO  A 407 (-4.5A)
None
None
None
 1.32A 4ndnC-4qniA:
undetectable		 4ndnC-4qniA:
20.38
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.
5CXV_A_0HKA501_1
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M1,ENDOLYSIN,MUSCARI
NIC ACETYLCHOLINE
RECEPTOR M1)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 ASP A 249
TYR A 247
TYR A 328
ASN A 202
TYR A 318
 None
None
None
EDO  A 403 ( 4.9A)
None
 1.46A 5cxvA-4qniA:
undetectable		 5cxvA-4qniA:
19.13
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.
6AF6_A_GLYA507_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 TYR A 126
HIS A  92
MET A 116
 None
 1.22A 6af6A-4qniA:
undetectable		 6af6A-4qniA:
20.05
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.
6GNA_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 251
LYS A 155
TYR A 229
 None
 1.25A 6gnaA-4qniA:
undetectable		 6gnaA-4qniA:
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.
6GNB_A_ACTA307_0
(THIOREDOXIN
REDUCTASE)		 4qni UNCHARACTERIZED
PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 251
LYS A 155
TYR A 229
 None
 1.25A 6gnbA-4qniA:
undetectable		 6gnbA-4qniA:
22.31