SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4jb3'

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.
1ESW_A_ACRA652_1
(AMYLOMALTASE)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 6 TYR A  40
GLY A 173
ASP A 171
GLY A  10
 None
None
NA  A 301 ( 4.4A)
NA  A 301 (-4.4A)
 0.83A 1eswA-4jb3A:
undetectable		 1eswA-4jb3A:
17.96
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.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ILE A  16
ASP A 172
LEU A  37
GLY A  11
GLY A  10
 None
NA  A 301 (-2.8A)
None
NA  A 301 ( 4.0A)
NA  A 301 (-4.4A)
 0.91A 1liiA-4jb3A:
undetectable		 1liiA-4jb3A:
21.90
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.
1LIN_A_TFPA155_1
(CALMODULIN)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 7 GLN A  42
GLU A  50
PHE A 123
ALA A  21
 GOL  A 302 (-4.0A)
GOL  A 302 (-2.8A)
None
None
 1.36A 1linA-4jb3A:
undetectable		 1linA-4jb3A:
21.12
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.
3CYX_A_ROCA201_4
(HIV-1 PROTEASE)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 4 LEU A 183
ASP A 159
VAL A 162
THR A 167
 None
 1.31A 3cyxB-4jb3A:
undetectable		 3cyxB-4jb3A:
20.35
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.
3H0A_A_9RAA500_2
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ILE A 179
PHE A 169
HIS A  41
 None
 0.71A 3h0aA-4jb3A:
undetectable		 3h0aA-4jb3A:
21.18
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_A_AERA601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ALA A 118
PHE A 123
ILE A  95
LEU A  92
VAL A  87
 None
 1.03A 3rukA-4jb3A:
undetectable		 3rukA-4jb3A:
19.61
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.
3SG9_B_KANB305_1
(APH(2'')-ID)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 8 ASN A 192
ASP A   8
SER A 108
GLU A  50
 None
NA  A 301 (-3.1A)
None
GOL  A 302 (-2.8A)
 1.05A 3sg9B-4jb3A:
undetectable		 3sg9B-4jb3A:
24.43
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.
3V4T_A_ACTA503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A  69
GLU A  70
THR A  72
 None
 0.87A 3v4tA-4jb3A:
undetectable		 3v4tA-4jb3A:
20.19
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.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 8 VAL A 170
VAL A  12
ILE A  13
LEU A  98
 None
 0.93A 4jq1B-4jb3A:
undetectable		 4jq1B-4jb3A:
20.94
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.
4N09_D_ADND401_1
(ADENOSINE KINASE)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ASP A 172
LEU A  37
GLY A  11
GLY A  10
ASN A 176
 NA  A 301 (-2.8A)
None
NA  A 301 ( 4.0A)
NA  A 301 (-4.4A)
None
 0.92A 4n09D-4jb3A:
2.9		 4n09D-4jb3A:
21.02
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.
4R87_I_SPMI202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ASN A 109
GLU A  51
TYR A 141
GLU A  50
 None
None
None
GOL  A 302 (-2.8A)
 1.21A 4r87I-4jb3A:
undetectable		 4r87I-4jb3A:
21.83
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.
4WH5_A_3QBA204_1
(LINCOSAMIDE
RESISTANCE PROTEIN)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ASP A   8
GLY A  10
ASP A 171
PHE A 153
PHE A 169
 NA  A 301 (-3.1A)
NA  A 301 (-4.4A)
NA  A 301 ( 4.4A)
None
None
 1.36A 4wh5A-4jb3A:
undetectable		 4wh5A-4jb3A:
22.54
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.
5B3S_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 7 PHE A   7
ARG A 197
THR A 201
LEU A 204
 None
 0.84A 5b3sN-4jb3A:
undetectable
5b3sW-4jb3A:
undetectable		 5b3sN-4jb3A:
17.73
5b3sW-4jb3A:
15.98
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.
5HIE_C_P06C801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ILE A  26
VAL A 114
PHE A 113
PHE A  84
 None
 0.98A 5hieC-4jb3A:
undetectable		 5hieC-4jb3A:
22.82
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.
5HW4_B_SAMB801_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE I)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 11 ILE A  16
GLY A  11
PHE A 123
LYS A  20
VAL A 114
 None
NA  A 301 ( 4.0A)
None
None
None
 1.21A 5hw4B-4jb3A:
undetectable		 5hw4B-4jb3A:
22.26
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.
5NNA_D_BZMD301_0
(ISATIN HYDROLASE A)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ILE A   5
LEU A 204
VAL A 104
GLY A  97
TYR A  94
 None
 1.18A 5nnaD-4jb3A:
undetectable		 5nnaD-4jb3A:
20.99
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.
6B54_A_OAQA302_0
(SULFOTRANSFERASE)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ILE A  95
LEU A  89
LEU A  98
THR A 201
LEU A 204
 None
 1.19A 6b54A-4jb3A:
undetectable		 6b54A-4jb3A:
20.72
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.
6GSD_A_STRA401_0
(PROGESTERONE
5-BETA-REDUCTASE)		 4jb3 HALOACID
DEHALOGENASE-LIKE
HYDROLASE
(Bacteroides
thetaiotaomicron) 		5 / 12 VAL A 104
ILE A  95
SER A 108
VAL A  12
ILE A  13
 None
 1.31A 6gsdA-4jb3A:
3.3		 6gsdA-4jb3A:
15.77