SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3b8b'

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.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A 100
 None
 1.02A 1c6zB-3b8bA:
undetectable		 1c6zB-3b8bA:
16.90
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.
1GMK_A_DVAA6_0
(GRAMICIDIN A)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 ALA A 227
VAL A  80
TRP A 223
 None
 1.01A 1gmkA-3b8bA:
undetectable
1gmkB-3b8bA:
undetectable		 1gmkA-3b8bA:
10.75
1gmkB-3b8bA:
10.75
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.
1HPK_A_ACAA80_1
(PLASMINOGEN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 6 ASP A  81
ASN A  99
ASP A 224
TRP A 223
 None
 1.33A 1hpkA-3b8bA:
undetectable		 1hpkA-3b8bA:
10.62
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.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A 100
 None
 1.06A 1hsgB-3b8bA:
undetectable		 1hsgB-3b8bA:
16.55
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.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A  77
ASP A  81
PRO A 108
VAL A 103
ILE A  79
 None
 1.03A 1hxbB-3b8bA:
undetectable		 1hxbB-3b8bA:
16.90
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.
1IE4_B_T44B328_1
(TRANSTHYRETIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 8 LEU A 194
LYS A 210
GLU A 208
ALA A 211
 SO4  A 272 ( 4.4A)
None
None
None
 0.93A 1ie4B-3b8bA:
undetectable
1ie4D-3b8bA:
undetectable		 1ie4B-3b8bA:
17.89
1ie4D-3b8bA:
17.89
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.
1J96_A_TESA903_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 6 TYR A 122
VAL A 168
ILE A 195
LEU A 158
 None
 0.82A 1j96A-3b8bA:
undetectable		 1j96A-3b8bA:
21.75
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.
1J96_B_TESB904_1
(3ALPHA-HYDROXYSTEROI
D DEHYDROGENASE TYPE
3)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 TYR A 122
VAL A 168
ILE A 195
LEU A 158
 None
 0.92A 1j96B-3b8bA:
undetectable		 1j96B-3b8bA:
21.75
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.
1MUI_B_AB1B100_1
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 10 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.42A 1muiA-3b8bA:
undetectable		 1muiA-3b8bA:
16.55
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.
1ONI_B_BEZB504_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 LEU A  51
ILE A  47
ALA A   3
ILE A 113
 None
 0.98A 1oniB-3b8bA:
undetectable
1oniC-3b8bA:
undetectable		 1oniB-3b8bA:
19.86
1oniC-3b8bA:
19.86
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.
1RL8_A_RITA9001_1
(PROTEASE RETROPEPSIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.28A 1rl8A-3b8bA:
undetectable		 1rl8A-3b8bA:
17.19
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.
209D_C_DVAC2_0
(N8-ACTINOMYCIN D)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 THR A 178
PRO A 176
THR A 180
 CL  A 275 (-3.2A)
None
None
 0.65A 209dC-3b8bA:
undetectable		 209dC-3b8bA:
5.84
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.
2F80_B_017B301_1
(POL POLYPROTEIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.23A 2f80A-3b8bA:
undetectable		 2f80A-3b8bA:
16.44
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.
2F80_B_017B301_2
(POL POLYPROTEIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.26A 2f80B-3b8bA:
undetectable		 2f80B-3b8bA:
16.44
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.
2F81_A_017A302_1
(POL POLYPROTEIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.31A 2f81A-3b8bA:
undetectable		 2f81A-3b8bA:
16.55
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.
2F8G_B_017B401_1
(POL POLYPROTEIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A 100
 None
 1.04A 2f8gA-3b8bA:
undetectable		 2f8gA-3b8bA:
16.10
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.
2KAW_A_SUZA91_1
(SEGMENT POLARITY
PROTEIN DISHEVELLED
HOMOLOG DVL-1)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 11 GLY A 198
ILE A 201
SER A 200
VAL A 262
VAL A 168
 SO4  A 269 ( 4.6A)
None
None
None
None
 1.03A 2kawA-3b8bA:
undetectable		 2kawA-3b8bA:
14.19
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.
2O4K_A_DR7A301_2
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.31A 2o4kB-3b8bA:
undetectable		 2o4kB-3b8bA:
16.55
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.32A 2pymA-3b8bA:
undetectable		 2pymA-3b8bA:
16.49
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.
2Q5K_A_AB1A201_1
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 9 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A 100
 None
 1.09A 2q5kA-3b8bA:
undetectable		 2q5kA-3b8bA:
16.20
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.
2Q63_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.35A 2q63A-3b8bA:
undetectable		 2q63A-3b8bA:
17.61
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.
2QAK_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.38A 2qakA-3b8bA:
undetectable		 2qakA-3b8bA:
17.61
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.
2QHC_B_AB1B9001_1
(PROTEASE RETROPEPSIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 11 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.37A 2qhcA-3b8bA:
undetectable		 2qhcA-3b8bA:
15.44
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.
2ZLC_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 5 LEU A 139
ILE A  47
TRP A  78
TYR A 114
 None
 1.36A 2zlcA-3b8bA:
undetectable		 2zlcA-3b8bA:
20.06
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.
3BVB_B_017B401_2
(PROTEASE
(RETROPEPSIN))		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.24A 3bvbB-3b8bA:
undetectable		 3bvbB-3b8bA:
16.10
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.
3CYW_A_017A201_1
(HIV-1 PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.30A 3cywA-3b8bA:
undetectable		 3cywA-3b8bA:
16.44
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.
3CYW_A_017A201_2
(HIV-1 PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.28A 3cywB-3b8bA:
undetectable		 3cywB-3b8bA:
16.44
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.
3EKT_D_017D200_1
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 11 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.36A 3ektC-3b8bA:
undetectable		 3ektC-3b8bA:
16.20
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.
3EKT_D_017D200_2
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 11 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.34A 3ektD-3b8bA:
undetectable		 3ektD-3b8bA:
16.20
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.
3EKX_B_1UNB201_1
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 11 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.34A 3ekxA-3b8bA:
undetectable		 3ekxA-3b8bA:
16.20
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.
3EL1_A_DR7A100_2
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.34A 3el1B-3b8bA:
undetectable		 3el1B-3b8bA:
15.49
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.
3HGX_A_SALA102_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 ARG A 266
ILE A 261
TYR A 240
GLN A 241
 None
 1.02A 3hgxA-3b8bA:
undetectable		 3hgxA-3b8bA:
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.
3ID5_B_SAMB301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 11 TYR A 114
GLY A  11
GLU A  12
ALA A  43
ILE A  14
 None
 1.25A 3id5B-3b8bA:
undetectable		 3id5B-3b8bA:
22.22
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.
3ID5_F_SAMF301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 11 TYR A 114
GLY A  11
GLU A  12
ALA A  43
ILE A  14
 None
 1.25A 3id5F-3b8bA:
undetectable		 3id5F-3b8bA:
22.22
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.
3JVY_B_017B401_1
(GAG-POL POLYPROTEIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.20A 3jvyA-3b8bA:
undetectable		 3jvyA-3b8bA:
16.10
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.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.21A 3jw2A-3b8bA:
undetectable		 3jw2A-3b8bA:
15.75
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.
3JW2_A_017A401_2
(GAG-POL POLYPROTEIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.25A 3jw2B-3b8bA:
undetectable		 3jw2B-3b8bA:
15.75
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 ALA A 230
ARG A 233
LYS A 265
 None
 1.00A 3kp3B-3b8bA:
undetectable		 3kp3B-3b8bA:
21.92
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.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.27A 3lzsA-3b8bA:
undetectable		 3lzsA-3b8bA:
16.20
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.
3LZS_A_017A200_2
(HIV-1 PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.34A 3lzsB-3b8bA:
undetectable		 3lzsB-3b8bA:
16.20
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.
3LZU_A_017A200_1
(HIV-1 PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.33A 3lzuA-3b8bA:
undetectable		 3lzuA-3b8bA:
16.20
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.
3LZU_A_017A200_2
(HIV-1 PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.31A 3lzuB-3b8bA:
undetectable		 3lzuB-3b8bA:
16.20
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.
3MWS_B_017B201_1
(HIV-1 PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A 100
 None
 0.97A 3mwsA-3b8bA:
undetectable		 3mwsA-3b8bA:
15.14
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.
3TKW_B_017B401_1
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.27A 3tkwA-3b8bA:
undetectable		 3tkwA-3b8bA:
16.84
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_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 TYR A 122
VAL A 168
ILE A 195
LEU A 158
 None
 0.80A 4l1wA-3b8bA:
undetectable		 4l1wA-3b8bA:
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.
4LL3_A_017A201_2
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 10 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.34A 4ll3B-3b8bA:
undetectable		 4ll3B-3b8bA:
16.55
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.
4LL3_A_017A202_1
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 10 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.36A 4ll3A-3b8bA:
undetectable		 4ll3A-3b8bA:
16.55
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.
4NJV_A_RITA500_1
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.26A 4njvA-3b8bA:
undetectable		 4njvA-3b8bA:
16.14
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.
4OAD_A_CLMA206_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 4 ALA A   3
ALA A   6
ALA A   7
ALA A  10
 None
 0.10A 4oadA-3b8bA:
undetectable		 4oadA-3b8bA:
21.21
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.
4OAE_A_CLMA208_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 4 ALA A   3
ALA A   6
ALA A   7
ALA A  10
 None
 0.11A 4oaeA-3b8bA:
undetectable		 4oaeA-3b8bA:
22.22
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.
4R29_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 12 ALA A  39
ILE A 201
GLY A  85
PHE A  96
GLU A  61
 None
None
SO4  A 269 ( 4.2A)
None
None
 1.10A 4r29D-3b8bA:
undetectable		 4r29D-3b8bA:
22.45
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.
4XJE_A_TOYA202_1
(AADB)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 8 ASP A 224
ASP A  84
ASP A  81
ILE A  14
 None
SO4  A 269 ( 4.2A)
None
None
 1.03A 4xjeA-3b8bA:
undetectable		 4xjeA-3b8bA:
23.57
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.
4XO7_A_ASDA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 7 TYR A 122
VAL A 168
ILE A 195
LEU A 158
 None
 0.85A 4xo7A-3b8bA:
undetectable		 4xo7A-3b8bA:
22.03
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.
5CFS_A_TOYA203_1
(AAD(2''),GENTAMICIN
2''-NUCLEOTIDYLTRANS
FERASE,GENTAMICIN
RESISTANCE PROTEIN)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 8 ASP A 224
ASP A  84
ASP A  81
ILE A  14
 None
SO4  A 269 ( 4.2A)
None
None
 0.99A 5cfsA-3b8bA:
undetectable		 5cfsA-3b8bA:
23.57
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.
5IEO_A_VDYA206_2
(CDL2.3A)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 8 ILE A  14
PRO A 116
ILE A 100
LEU A  36
 None
 1.00A 5ieoA-3b8bA:
undetectable		 5ieoA-3b8bA:
20.71
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_A_TLFA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 LEU A 158
TYR A 122
SER A 134
 None
None
CSO  A 133 ( 3.7A)
 0.75A 5iktA-3b8bA:
undetectable		 5iktA-3b8bA:
19.42
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.
5KR2_A_ROCA101_1
(PROTEASE PR5-SQV)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 9 ASN A  -1
ALA A   2
ASP A   5
ILE A  47
PRO A  57
 None
 1.24A 5kr2A-3b8bA:
undetectable		 5kr2A-3b8bA:
16.10
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.
5M0O_C_EPAC502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		4 / 8 ILE A  17
PHE A  25
ALA A  39
PHE A  89
 None
 0.93A 5m0oC-3b8bA:
undetectable		 5m0oC-3b8bA:
22.60
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.
5ODI_A_ACTA701_0
(HETERODISULFIDE
REDUCTASE, SUBUNIT A)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		3 / 3 LYS A 134
LYS A 152
SER A 153
 CSO  A 133 ( 3.3A)
None
CSO  A 133 ( 3.3A)
 1.45A 5odiA-3b8bA:
undetectable		 5odiA-3b8bA:
19.35
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.
5T2Z_B_017B201_2
(PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 12 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.40A 5t2zB-3b8bA:
undetectable		 5t2zB-3b8bA:
16.55
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.
6DJ2_B_AB1B201_0
(HIV-1 PROTEASE)		 3b8b CYSQ, SULFITE
SYNTHESIS PATHWAY
PROTEIN
(Bacteroides
thetaiotaomicron) 		6 / 10 ALA A   6
ASP A   5
VAL A 112
GLY A  11
ILE A  14
ILE A 100
 None
 1.34A 6dj2A-3b8bA:
undetectable		 6dj2A-3b8bA:
15.19