SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3va6'

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.
1CEB_A_AMHA90_1
(PLASMINOGEN)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ARG A 429
ASP A 359
TRP A 365
TYR A 388
 None
 1.41A 1cebA-3va6A:
undetectable		 1cebA-3va6A:
7.92
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.
1CEB_B_AMHB90_1
(PLASMINOGEN)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ASP A 454
TRP A 460
TYR A 490
ARG A 530
 None
 1.44A 1cebB-3va6A:
undetectable		 1cebB-3va6A:
7.92
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.
1FKP_A_NVPA999_1
(HIV-1 RT, A-CHAIN)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 11 LEU A 155
VAL A 113
VAL A  96
TYR A 102
TYR A 153
 None
 1.26A 1fkpA-3va6A:
undetectable		 1fkpA-3va6A:
20.68
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.
1GTN_F_TRPF81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 8 THR A 602
GLY A 564
ALA A 616
ILE A 578
 None
 0.80A 1gtnE-3va6A:
undetectable
1gtnF-3va6A:
undetectable		 1gtnE-3va6A:
6.52
1gtnF-3va6A:
6.52
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.
1KF6_N_ACTN803_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 6 ARG A 687
GLY A  60
ASP A  57
TYR A 710
 None
 0.82A 1kf6M-3va6A:
undetectable
1kf6N-3va6A:
undetectable		 1kf6M-3va6A:
21.88
1kf6N-3va6A:
13.72
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.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 11 LEU A 155
VAL A 113
VAL A  96
TYR A 102
TYR A 153
 None
 1.26A 1lwcA-3va6A:
undetectable		 1lwcA-3va6A:
21.23
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.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A 155
VAL A 113
VAL A  96
TYR A 102
TYR A 153
 None
 1.22A 1lwfA-3va6A:
undetectable		 1lwfA-3va6A:
21.19
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.
1RS7_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 5 GLY A 564
ILE A 578
TRP A 607
VAL A 600
 None
 0.84A 1rs7A-3va6A:
undetectable		 1rs7A-3va6A:
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.
1RS7_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 6 GLY A 564
ILE A 578
TRP A 607
VAL A 600
 None
 0.82A 1rs7B-3va6A:
undetectable		 1rs7B-3va6A:
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.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 8 ILE A 344
ASP A 644
GLY A 645
PHE A 646
 None
 0.67A 1rtsA-3va6A:
undetectable		 1rtsA-3va6A:
16.54
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.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ILE A 344
ASP A 644
GLY A 645
PHE A 646
 None
 0.75A 1rtsB-3va6A:
undetectable		 1rtsB-3va6A:
16.54
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.
1SBR_A_VIBA501_1
(YKOF)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 8 SER A 222
LEU A 223
ILE A 179
THR A 134
 None
 0.88A 1sbrA-3va6A:
undetectable		 1sbrA-3va6A:
14.74
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.
1SV5_A_65BA600_0
(REVERSE
TRANSCRIPTASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 10 LEU A 155
VAL A 113
VAL A  96
TYR A 102
TYR A 153
 None
 1.27A 1sv5A-3va6A:
undetectable		 1sv5A-3va6A:
22.07
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.
1VID_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 5 SER A  49
TYR A  93
SER A 263
ASP A 324
 None
 1.38A 1vidA-3va6A:
undetectable		 1vidA-3va6A:
14.77
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.
1VPT_A_SAMA400_0
(VP39)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ILE A 175
GLY A 145
GLY A 106
VAL A 188
LEU A 170
 None
 1.07A 1vptA-3va6A:
undetectable		 1vptA-3va6A:
18.79
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.
1VRT_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A 155
VAL A 113
VAL A  96
TYR A 102
TYR A 153
 None
 1.22A 1vrtA-3va6A:
undetectable		 1vrtA-3va6A:
21.23
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.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 6 SER A  49
TYR A  93
SER A 263
ASP A 324
 None
 1.41A 2cl5B-3va6A:
undetectable		 2cl5B-3va6A:
14.77
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.
2E7F_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ILE A 319
LEU A 280
GLY A 322
SER A  52
ARG A  91
 None
 1.28A 2e7fA-3va6A:
undetectable		 2e7fA-3va6A:
16.28
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.
2F78_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A 751
ILE A 771
PHE A 703
LEU A 668
ILE A 686
 None
 1.20A 2f78A-3va6A:
undetectable		 2f78A-3va6A:
15.81
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.
2F78_B_BEZB1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A 751
ILE A 771
PHE A 703
LEU A 668
ILE A 686
 None
 1.24A 2f78B-3va6A:
undetectable		 2f78B-3va6A:
15.81
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.
2F7A_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A 751
ILE A 771
PHE A 703
LEU A 668
ILE A 686
 None
 1.25A 2f7aA-3va6A:
undetectable		 2f7aA-3va6A:
15.81
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.
2F7A_B_BEZB1002_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A 751
ILE A 771
PHE A 703
LEU A 668
ILE A 686
 None
 1.23A 2f7aB-3va6A:
undetectable		 2f7aB-3va6A:
15.81
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.
2HNY_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 10 LEU A 155
VAL A 113
VAL A  96
TYR A 102
TYR A 153
 None
 1.25A 2hnyA-3va6A:
undetectable		 2hnyA-3va6A:
21.95
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.
2Q2H_B_ACTB501_0
(SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 678
SER A 676
TYR A 114
 None
 1.00A 2q2hA-3va6A:
undetectable
2q2hB-3va6A:
undetectable		 2q2hA-3va6A:
9.87
2q2hB-3va6A:
9.87
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.
2VOU_A_ACTA1397_0
(2,6-DIHYDROXYPYRIDIN
E HYDROXYLASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		3 / 3 PRO A 709
GLY A  75
TYR A 710
 None
 0.74A 2vouA-3va6A:
undetectable		 2vouA-3va6A:
19.01
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.
2W8Y_B_NDRB1000_0
(PROGESTERONE
RECEPTOR)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A 701
LEU A 668
LEU A 674
GLN A  79
LEU A 769
 None
 1.46A 2w8yB-3va6A:
undetectable		 2w8yB-3va6A:
15.03
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.
2ZVJ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 6 SER A  49
TYR A  93
SER A 263
ASP A 324
 None
 1.37A 2zvjA-3va6A:
undetectable		 2zvjA-3va6A:
14.23
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.
3ELZ_A_CHDA200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 5 PRO A 245
THR A 190
VAL A 220
GLY A 189
 None
 1.12A 3elzA-3va6A:
undetectable		 3elzA-3va6A:
11.53
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.
3G2O_B_SAMB600_0
(PCZA361.24)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 12 GLY A 326
LEU A 321
LEU A 329
SER A  52
GLY A  65
 None
 1.08A 3g2oB-3va6A:
undetectable		 3g2oB-3va6A:
15.89
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.
3QEL_D_QELD2_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 5 TYR A 191
THR A 190
ARG A 133
LEU A 147
 None
 1.34A 3qelC-3va6A:
undetectable		 3qelC-3va6A:
19.00
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.
3QIP_A_NVPA561_1
(REVERSE HIV-1
REVERSE
TRANSCRIPTASE P66)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 10 LEU A 155
VAL A 113
VAL A  96
TYR A 102
TYR A 153
 None
 1.21A 3qipA-3va6A:
undetectable		 3qipA-3va6A:
21.23
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.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 8 ILE A 386
TYR A 424
LEU A 413
PHE A 431
 None
 0.93A 3rqwI-3va6A:
undetectable
3rqwJ-3va6A:
undetectable		 3rqwI-3va6A:
18.24
3rqwJ-3va6A:
18.24
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.
3VRI_A_1KXA301_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
10-MER PEPTIDE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 10 TYR A  76
ASP A  40
ILE A 327
TRP A 320
ILE A  62
 None
 1.41A 3vriA-3va6A:
undetectable
3vriC-3va6A:
undetectable		 3vriA-3va6A:
16.46
3vriC-3va6A:
2.77
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.
4D33_A_ACTA860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 5 GLY A 564
ILE A 578
TRP A 607
VAL A 600
 None
 0.87A 4d33A-3va6A:
undetectable		 4d33A-3va6A:
20.18
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.
4D33_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 5 GLY A 564
ILE A 578
TRP A 607
VAL A 600
 None
 0.88A 4d33B-3va6A:
undetectable		 4d33B-3va6A:
20.18
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.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 6 GLY A 564
ILE A 578
TRP A 607
VAL A 600
 None
 0.86A 4d39B-3va6A:
undetectable		 4d39B-3va6A:
20.18
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.
4DJF_B_C2FB300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 12 ILE A 319
LEU A 280
GLY A 322
SER A  52
ARG A  91
 None
 1.34A 4djfB-3va6A:
undetectable		 4djfB-3va6A:
16.28
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.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 6 GLY A 564
ILE A 578
TRP A 607
VAL A 600
 None
 0.83A 4kcnA-3va6A:
undetectable		 4kcnA-3va6A:
20.31
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.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A 280
ILE A 319
LEU A 272
LEU A 266
GLY A 268
 None
 1.18A 4l9qB-3va6A:
undetectable		 4l9qB-3va6A:
20.15
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ILE A 186
ARG A 180
ILE A 178
ALA A 136
 None
 0.84A 4lv9A-3va6A:
undetectable		 4lv9A-3va6A:
22.65
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.
4LV9_B_20JB602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ILE A 186
ARG A 180
ILE A 178
ALA A 136
 None
 0.83A 4lv9B-3va6A:
undetectable		 4lv9B-3va6A:
22.65
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.
4WW7_A_ACTA305_0
(EKC/KEOPS COMPLEX
SUBUNIT BUD32)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 6 LEU A 665
LEU A 705
GLU A 704
ILE A 739
 None
 0.95A 4ww7A-3va6A:
undetectable		 4ww7A-3va6A:
16.73
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.
4X61_A_SAMA701_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  70
GLY A 106
GLY A 110
PRO A 129
LEU A 144
 None
 1.24A 4x61A-3va6A:
undetectable		 4x61A-3va6A:
22.25
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.
4XDQ_A_BEZA306_0
(GLYCOSIDE HYDROLASE
FAMILY PROTEIN)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 611
ASP A 552
TRP A 558
 None
 0.86A 4xdqA-3va6A:
undetectable		 4xdqA-3va6A:
15.26
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.
5B2O_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 5 THR A 323
TRP A 309
ASP A 324
ASN A 305
 None
 1.10A 5b2oA-3va6A:
0.0		 5b2oA-3va6A:
18.95
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.
5B2P_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 5 THR A 323
TRP A 309
ASP A 324
ASN A 305
 None
 1.09A 5b2pA-3va6A:
0.0		 5b2pA-3va6A:
18.95
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.
5B2Q_A_ACTA1729_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 5 THR A 323
TRP A 309
ASP A 324
ASN A 305
 None
 1.08A 5b2qA-3va6A:
0.0		 5b2qA-3va6A:
19.01
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.
5DSG_B_0HKB1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ASP A 108
ASN A  87
PHE A  82
 None
 0.73A 5dsgB-3va6A:
undetectable		 5dsgB-3va6A:
18.94
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.
5EEV_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 8 THR A 323
SER A 328
GLY A 279
HIS A 295
 None
 0.96A 5eevL-3va6A:
undetectable
5eevV-3va6A:
undetectable		 5eevL-3va6A:
6.52
5eevV-3va6A:
6.52
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.
5EEW_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 8 THR A 323
SER A 328
GLY A 279
HIS A 295
 None
 0.95A 5eewL-3va6A:
undetectable
5eewV-3va6A:
undetectable		 5eewL-3va6A:
6.52
5eewV-3va6A:
6.52
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.
5EF3_L_TRPL101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 8 THR A 323
SER A 328
GLY A 279
HIS A 295
 None
 0.95A 5ef3L-3va6A:
undetectable
5ef3V-3va6A:
undetectable		 5ef3L-3va6A:
6.52
5ef3V-3va6A:
6.52
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.
5FHR_A_SAMA303_1
(CATECHOL
O-METHYLTRANSFERASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 5 SER A  49
TYR A  93
SER A 263
ASP A 324
 None
 1.44A 5fhrA-3va6A:
undetectable		 5fhrA-3va6A:
14.99
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.
5H3A_A_D16A401_1
(ORF70)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ILE A 344
ASP A 644
GLY A 645
PHE A 646
 None
 0.76A 5h3aA-3va6A:
undetectable		 5h3aA-3va6A:
16.22
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.
5H3A_B_D16B401_1
(ORF70)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ILE A 344
ASP A 644
GLY A 645
PHE A 646
 None
 0.70A 5h3aB-3va6A:
undetectable		 5h3aB-3va6A:
16.22
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.
5HBM_A_NVPA601_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 11 LEU A 155
VAL A 113
VAL A  96
TYR A 102
TYR A 153
 None
 1.24A 5hbmA-3va6A:
undetectable		 5hbmA-3va6A:
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.
5IKT_B_TLFB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		3 / 3 TYR A 669
TYR A 114
SER A  72
 None
 0.97A 5iktB-3va6A:
undetectable		 5iktB-3va6A:
20.92
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.
5VKQ_A_PCFA1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 6 ILE A 373
LEU A 372
PHE A 431
PHE A 646
 None
 0.65A 5vkqA-3va6A:
undetectable
5vkqB-3va6A:
undetectable		 5vkqA-3va6A:
18.02
5vkqB-3va6A:
18.02
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.
5VKQ_D_PCFD1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 6 PHE A 646
ILE A 373
LEU A 372
PHE A 431
 None
 0.66A 5vkqA-3va6A:
undetectable
5vkqD-3va6A:
undetectable		 5vkqA-3va6A:
18.02
5vkqD-3va6A:
18.02
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.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 7 ILE A 344
ASP A 644
GLY A 645
PHE A 646
 None
 0.76A 5x5qC-3va6A:
undetectable		 5x5qC-3va6A:
16.73
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.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 8 ILE A 344
ASP A 644
GLY A 645
PHE A 646
 None
 0.74A 5x5qD-3va6A:
undetectable		 5x5qD-3va6A:
16.73
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.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 8 ILE A 344
ASP A 644
GLY A 645
PHE A 646
 None
 0.74A 5x5qF-3va6A:
undetectable		 5x5qF-3va6A:
16.73
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.
5ZW2_A_ACTA511_0
(L-PROLYL-[PEPTIDYL-C
ARRIER PROTEIN]
DEHYDROGENASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		3 / 3 ARG A 611
ILE A 598
SER A 597
 None
 0.89A 5zw2A-3va6A:
undetectable		 5zw2A-3va6A:
20.60
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.
6A93_B_8NUB3001_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 5 ASP A 726
ILE A 768
ASN A 743
TYR A 741
 None
 1.19A 6a93B-3va6A:
undetectable		 6a93B-3va6A:
20.25
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.
6CZM_B_HISB402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A 653
GLY A 647
LEU A 336
GLN A 337
VAL A 638
 None
 1.28A 6czmA-3va6A:
undetectable
6czmB-3va6A:
undetectable		 6czmA-3va6A:
18.47
6czmB-3va6A:
18.47
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.
6CZM_C_HISC402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 9 LEU A 653
GLY A 647
LEU A 336
GLN A 337
VAL A 638
 None
 1.26A 6czmB-3va6A:
undetectable
6czmC-3va6A:
undetectable		 6czmB-3va6A:
18.47
6czmC-3va6A:
18.47
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.
6CZM_F_HISF402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		5 / 10 LEU A 640
GLY A 605
LEU A 606
GLN A 619
THR A 622
 None
 1.08A 6czmE-3va6A:
undetectable
6czmF-3va6A:
undetectable		 6czmE-3va6A:
18.47
6czmF-3va6A:
18.47
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.
6EF6_A_ACTA405_0
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE
(Bacteroides
thetaiotaomicron) 		4 / 6 THR A 236
PRO A 210
GLN A 252
ILE A 234
 None
 1.35A 6ef6A-3va6A:
undetectable		 6ef6A-3va6A:
18.36