SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3niw'

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.
1FOH_A_IPHA802_0
(PHENOL HYDROXYLASE)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 10 GLY A 233
VAL A 234
ILE A 215
TYR A   3
GLY A 231
 None
 1.23A 1fohA-3niwA:
undetectable		 1fohA-3niwA:
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.
1FOH_B_IPHB802_0
(PHENOL HYDROXYLASE)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 10 GLY A 233
VAL A 234
ILE A 215
TYR A   3
GLY A 231
 None
 1.24A 1fohB-3niwA:
undetectable		 1fohB-3niwA:
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.
1FOH_C_IPHC802_0
(PHENOL HYDROXYLASE)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 10 GLY A 233
VAL A 234
ILE A 215
TYR A   3
GLY A 231
 None
 1.22A 1fohC-3niwA:
undetectable		 1fohC-3niwA:
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.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 10 GLY A 233
VAL A 234
ILE A 215
TYR A   3
GLY A 231
 None
 1.23A 1fohD-3niwA:
undetectable		 1fohD-3niwA:
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.
1KNY_A_KANA558_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ASP A 219
GLU A 183
GLU A 188
GLU A 128
 MG  A 278 (-2.8A)
None
GOL  A 279 (-2.6A)
GOL  A 279 (-2.9A)
 1.17A 1knyA-3niwA:
undetectable
1knyB-3niwA:
undetectable		 1knyA-3niwA:
22.52
1knyB-3niwA:
22.52
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.
1PN0_A_IPHA6012_0
(PHENOL
2-MONOOXYGENASE)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 10 GLY A 233
VAL A 234
ILE A 215
TYR A   3
GLY A 231
 None
 1.28A 1pn0A-3niwA:
undetectable		 1pn0A-3niwA:
18.09
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.
1PN0_B_IPHB6022_0
(PHENOL
2-MONOOXYGENASE)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 10 GLY A 233
VAL A 234
ILE A 215
TYR A   3
GLY A 231
 None
 1.27A 1pn0B-3niwA:
undetectable		 1pn0B-3niwA:
18.09
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.
1PN0_C_IPHC6032_0
(PHENOL
2-MONOOXYGENASE)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 10 GLY A 233
VAL A 234
ILE A 215
TYR A   3
GLY A 231
 None
 1.23A 1pn0C-3niwA:
undetectable		 1pn0C-3niwA:
18.09
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.
1PN0_D_IPHD6042_0
(PHENOL
2-MONOOXYGENASE)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 10 GLY A 233
VAL A 234
ILE A 215
TYR A   3
GLY A 231
 None
 1.24A 1pn0D-3niwA:
undetectable		 1pn0D-3niwA:
18.09
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.
2BXC_A_P1ZA2001_1
(SERUM ALBUMIN)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  57
LEU A  14
ILE A   6
ILE A 263
ALA A 260
 None
 1.02A 2bxcA-3niwA:
undetectable		 2bxcA-3niwA:
17.94
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.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  57
LEU A  14
ILE A   6
ILE A 263
ALA A 260
 None
 1.02A 2bxqA-3niwA:
undetectable		 2bxqA-3niwA:
17.94
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.
4BBO_C_ACTC1113_0
(BLR5658 PROTEIN)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 4 ASN A 238
ALA A 239
GLY A 237
THR A 251
 None
 1.15A 4bboC-3niwA:
undetectable		 4bboC-3niwA:
16.42
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.
4W5T_A_IPHA903_0
(PROTEIN ARGONAUTE-2)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 5 TYR A  48
PRO A  46
GLU A  73
TYR A  69
 None
 1.49A 4w5tA-3niwA:
2.4		 4w5tA-3niwA:
16.30
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.
5JNC_D_ACTD305_0
(CARBONIC ANHYDRASE 4)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 5 ALA A 247
ALA A 235
ILE A 227
LEU A 224
 None
 0.72A 5jncD-3niwA:
undetectable		 5jncD-3niwA:
20.81
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.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 3niw HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  14
ASP A 223
GLY A 218
ALA A 260
ASN A  25
 None
MG  A 278 ( 4.3A)
None
None
None
 1.25A 5kbwB-3niwA:
undetectable		 5kbwB-3niwA:
21.86