SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3ijl'

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.
1AV2_C_DVAC6_0
(GRAMICIDIN A)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ALA A 317
VAL A 312
TRP A 309
 None
 0.82A 1av2C-3ijlA:
undetectable
1av2D-3ijlA:
undetectable		 1av2C-3ijlA:
8.02
1av2D-3ijlA:
8.02
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.
1FOH_A_IPHA802_0
(PHENOL HYDROXYLASE)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 10 ASP A 147
GLY A 377
MET A 305
GLN A 339
GLY A 379
 None
 1.40A 1fohA-3ijlA:
undetectable		 1fohA-3ijlA:
20.00
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)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 10 ASP A 147
GLY A 377
MET A 305
GLN A 339
GLY A 379
 None
 1.42A 1fohB-3ijlA:
undetectable		 1fohB-3ijlA:
20.00
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)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 10 ASP A 147
GLY A 377
MET A 305
GLN A 339
GLY A 379
 None
 1.42A 1pn0A-3ijlA:
undetectable		 1pn0A-3ijlA:
20.00
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)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 10 ASP A 147
GLY A 377
MET A 305
GLN A 339
GLY A 379
 None
 1.41A 1pn0B-3ijlA:
undetectable		 1pn0B-3ijlA:
20.00
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.
1W5U_C_DVAC6_0
(GRAMICIDIN D)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ALA A 317
VAL A 312
TRP A 309
 None
 0.82A 1w5uC-3ijlA:
undetectable
1w5uD-3ijlA:
undetectable		 1w5uC-3ijlA:
8.02
1w5uD-3ijlA:
8.02
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.
2ROX_B_T44B128_1
(TRANSTHYRETIN)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		4 / 6 GLU A  88
ALA A 136
LEU A  95
THR A 135
 None
 1.03A 2roxB-3ijlA:
undetectable		 2roxB-3ijlA:
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.
2VQY_A_PARA1201_2
(AAC(6')-IB)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 TRP A 229
GLN A 227
TRP A 264
 None
 1.33A 2vqyA-3ijlA:
undetectable		 2vqyA-3ijlA:
18.93
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.
2WSC_B_PQNB1773_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 10 MET A 327
SER A  90
ALA A 139
LEU A 299
ALA A 333
 DGL  A 385 ( 3.6A)
None
None
None
None
 1.29A 2wscB-3ijlA:
undetectable		 2wscB-3ijlA:
19.64
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.
2WSE_B_PQNB1774_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 10 MET A 327
SER A  90
ALA A 139
LEU A 299
ALA A 333
 DGL  A 385 ( 3.6A)
None
None
None
None
 1.29A 2wseB-3ijlA:
undetectable		 2wseB-3ijlA:
19.64
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.
2WSF_B_PQNB1773_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 9 MET A 327
SER A  90
ALA A 139
LEU A 299
ALA A 333
 DGL  A 385 ( 3.6A)
None
None
None
None
 1.29A 2wsfB-3ijlA:
undetectable		 2wsfB-3ijlA:
19.64
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.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ILE A  78
ILE A 143
ALA A 140
VAL A 127
LEU A 124
 None
 0.98A 3a51E-3ijlA:
undetectable		 3a51E-3ijlA:
21.20
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.
3GYQ_B_SAMB270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 11 LEU A 372
GLY A 379
LYS A 361
ILE A 370
SER A 338
 None
 1.21A 3gyqB-3ijlA:
undetectable		 3gyqB-3ijlA:
22.44
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.
3L8L_A_DVAA6_0
(GRAMICIDIN D)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ALA A 317
VAL A 312
TRP A 309
 None
 0.83A 3l8lA-3ijlA:
undetectable
3l8lB-3ijlA:
undetectable		 3l8lA-3ijlA:
8.02
3l8lB-3ijlA:
8.63
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.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 10 MET A 327
SER A  90
ALA A 139
LEU A 299
ALA A 333
 DGL  A 385 ( 3.6A)
None
None
None
None
 1.32A 3lw5B-3ijlA:
undetectable		 3lw5B-3ijlA:
19.53
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.
3TMZ_A_06XA504_1
(CYTOCHROME P450 2B4)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A 349
ILE A 143
GLN A 339
GLU A 329
VAL A 380
 None
 1.38A 3tmzA-3ijlA:
undetectable		 3tmzA-3ijlA:
21.82
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.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		4 / 6 VAL A 265
VAL A 273
ILE A 250
TRP A 229
 None
 0.96A 4l1wB-3ijlA:
6.5		 4l1wB-3ijlA:
22.32
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.
5FCT_B_C2FB402_1
(THYMIDYLATE SYNTHASE)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ASN A 226
ASP A 348
GLY A 325
 MG  A 386 ( 4.6A)
PRO  A 384 (-3.4A)
None
 0.67A 5fctB-3ijlA:
undetectable		 5fctB-3ijlA:
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.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 10 ALA A 315
VAL A 322
MET A 320
ASP A 276
ILE A 297
 None
None
None
MG  A 386 (-3.1A)
None
 1.14A 5i3cB-3ijlA:
undetectable		 5i3cB-3ijlA:
20.98
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.
5MZP_A_CFFA2401_1
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 9 ILE A  78
VAL A 149
MET A 305
LEU A 124
ILE A 123
 None
 1.40A 5mzpA-3ijlA:
undetectable		 5mzpA-3ijlA:
21.70
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.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		4 / 8 ALA A 308
VAL A 102
MET A 300
HIS A 146
 None
 1.00A 5nu7A-3ijlA:
undetectable		 5nu7A-3ijlA:
20.17
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		4 / 6 LEU A 106
VAL A 109
LEU A 111
VAL A 127
 None
 0.91A 5x7zA-3ijlA:
undetectable		 5x7zA-3ijlA:
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.
6C2M_C_SUEC1203_1
(NS3 PROTEASE)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		5 / 9 GLY A 290
ILE A 250
LEU A 271
ARG A 321
ASP A 345
 None
 1.31A 6c2mC-3ijlA:
undetectable		 6c2mC-3ijlA:
15.11
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3ijl MUCONATE
CYCLOISOMERASE
(Bacteroides
thetaiotaomicron) 		4 / 6 TYR A  94
ASP A 276
GLU A 277
ALA A  64
 DGL  A 385 (-4.5A)
MG  A 386 (-3.1A)
MG  A 386 ( 3.9A)
None
 1.19A 6djzB-3ijlA:
undetectable		 6djzB-3ijlA:
20.99