SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2ww2'

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.
1FSL_A_NIOA145_1
(LEGHEMOGLOBIN A)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 8 PHE A 209
ILE A 252
PHE A 158
LEU A 240
 None
 0.76A 1fslA-2ww2A:
undetectable		 1fslA-2ww2A:
12.70
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.
1FSL_B_NIOB145_1
(LEGHEMOGLOBIN A)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 8 PHE A 209
ILE A 252
PHE A 158
LEU A 240
 None
 0.71A 1fslB-2ww2A:
undetectable		 1fslB-2ww2A:
12.70
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.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 11 ASN A 203
ARG A 397
GLY A 196
GLY A 195
PHE A 201
 None
GOL  A 807 (-4.5A)
GOL  A 807 ( 4.8A)
None
None
 1.50A 1ho5A-2ww2A:
undetectable		 1ho5A-2ww2A:
22.40
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.
1NV8_A_SAMA300_0
(HEMK PROTEIN)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 THR A 254
ILE A 179
GLY A 188
VAL A 231
ALA A 170
 None
 0.96A 1nv8A-2ww2A:
undetectable		 1nv8A-2ww2A:
17.97
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.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 THR A 254
ILE A 179
GLY A 188
VAL A 231
ALA A 170
 None
 0.91A 1nv8B-2ww2A:
undetectable		 1nv8B-2ww2A:
17.97
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.
1SG9_B_SAMB302_0
(HEMK PROTEIN)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 THR A 254
ILE A 179
GLY A 188
VAL A 231
ALA A 170
 None
 0.91A 1sg9B-2ww2A:
undetectable		 1sg9B-2ww2A:
17.34
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.
1VQ1_B_SAMB301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 THR A 254
ILE A 179
GLY A 188
VAL A 231
ALA A 170
 None
 0.94A 1vq1B-2ww2A:
undetectable		 1vq1B-2ww2A:
18.22
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.
1X8V_A_ESLA472_1
(CYTOCHROME P450 51)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 6 MET A 207
VAL A 156
LEU A 250
PHE A 242
 None
 1.11A 1x8vA-2ww2A:
undetectable		 1x8vA-2ww2A:
22.09
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.
2HKK_A_ALEA300_1
(CARBONIC ANHYDRASE 2)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 6 ASN A 194
ASN A  96
GLN A  90
THR A 100
 None
GOL  A 803 (-4.6A)
None
None
 1.27A 2hkkA-2ww2A:
undetectable		 2hkkA-2ww2A:
16.23
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.
2O5Y_H_STRH249_1
(CHIMERIC ANTIBODY
FAB 1E9-DB3)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 7 ASN A 605
GLY A 538
THR A 536
SER A 546
 None
 1.18A 2o5yH-2ww2A:
undetectable
2o5yL-2ww2A:
undetectable		 2o5yH-2ww2A:
14.33
2o5yL-2ww2A:
14.96
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.
2O5Y_H_STRH249_1
(CHIMERIC ANTIBODY
FAB 1E9-DB3)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 7 GLY A  58
TRP A  62
MET A  59
SER A 256
 None
 1.22A 2o5yH-2ww2A:
undetectable
2o5yL-2ww2A:
undetectable		 2o5yH-2ww2A:
14.33
2o5yL-2ww2A:
14.96
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.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 ASP A 234
GLY A  70
HIS A 114
SER A 102
ASP A 169
 None
 1.14A 2pgfA-2ww2A:
undetectable		 2pgfA-2ww2A:
19.11
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.
2VCD_A_RAPA138_1
(OUTER MEMBRANE
PROTEIN MIP)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 11 TYR A  98
ASP A 349
PHE A 258
GLN A 263
VAL A  55
 None
 1.44A 2vcdA-2ww2A:
undetectable		 2vcdA-2ww2A:
11.37
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.
2Y69_P_CHDP1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 5 PHE A 242
PHE A 158
LEU A 141
PHE A 137
 None
 1.29A 2y69P-2ww2A:
undetectable
2y69W-2ww2A:
undetectable		 2y69P-2ww2A:
16.60
2y69W-2ww2A:
8.12
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.
3GWX_A_EPAA1_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 10 VAL A 657
ILE A 675
LEU A 685
VAL A 683
VAL A 295
 None
 1.06A 3gwxA-2ww2A:
undetectable		 3gwxA-2ww2A:
15.70
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.
3JZ0_B_CLYB900_1
(LINCOSAMIDE
NUCLEOTIDYLTRANSFERA
SE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 8 TYR A 323
GLU A 321
TYR A 345
ILE A 259
 None
 0.98A 3jz0B-2ww2A:
2.2		 3jz0B-2ww2A:
17.68
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.
3QEL_B_QELB1_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 11 ARG A 629
LEU A 679
ALA A 697
PHE A 693
THR A 301
 GOL  A 801 (-4.3A)
GOL  A 801 (-4.5A)
None
None
GOL  A 801 ( 4.3A)
 1.37A 3qelA-2ww2A:
undetectable
3qelB-2ww2A:
undetectable		 3qelA-2ww2A:
19.15
3qelB-2ww2A:
19.94
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.
3TGV_D_BEZD1_0
(HEME-BINDING PROTEIN
HUTZ)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 6 GLN A 142
PHE A  85
PRO A 105
LEU A 145
 None
 1.30A 3tgvD-2ww2A:
undetectable		 3tgvD-2ww2A:
11.86
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.
3U9F_R_CLMR221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 10 PHE A 658
SER A 653
LEU A 312
VAL A 295
VAL A 657
 None
 1.47A 3u9fR-2ww2A:
undetectable		 3u9fR-2ww2A:
14.68
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.
3VW1_D_CVID301_1
(PUTATIVE REGULATORY
PROTEIN)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		3 / 3 TYR A 643
MET A 661
LEU A 362
 None
 0.79A 3vw1D-2ww2A:
undetectable		 3vw1D-2ww2A:
14.01
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.
4FGK_A_0TXA302_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 6 PHE A 209
ILE A 179
PRO A 181
PHE A 242
 None
 1.00A 4fgkA-2ww2A:
undetectable		 4fgkA-2ww2A:
14.80
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.
4IK6_B_LURB201_1
(TRANSTHYRETIN)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 8 MET A 737
LEU A 733
ALA A 710
LEU A 712
 None
 0.97A 4ik6B-2ww2A:
undetectable		 4ik6B-2ww2A:
10.07
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.
4LRH_D_FOLD301_1
(FOLATE RECEPTOR
ALPHA)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		3 / 3 HIS A 396
TRP A 391
SER A 385
 None
GOL  A 805 (-4.4A)
None
 1.18A 4lrhD-2ww2A:
undetectable		 4lrhD-2ww2A:
13.81
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.
4LVC_A_ADNA501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 5 GLN A 304
THR A 652
HIS A 603
LEU A 635
 GOL  A 801 (-2.8A)
None
None
None
 1.30A 4lvcA-2ww2A:
undetectable		 4lvcA-2ww2A:
21.84
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.
4LVC_C_ADNC501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 5 GLN A 304
THR A 652
HIS A 603
LEU A 635
 GOL  A 801 (-2.8A)
None
None
None
 1.30A 4lvcC-2ww2A:
undetectable		 4lvcC-2ww2A:
21.84
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.
4MMA_A_CXXA603_1
(TRANSPORTER)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 11 ASP A  97
PRO A 198
PHE A 201
SER A 393
GLY A 395
 None
 1.15A 4mmaA-2ww2A:
undetectable		 4mmaA-2ww2A:
22.88
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.
4P6X_I_HCYI900_2
(GLUCOCORTICOID
RECEPTOR)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		3 / 3 MET A 112
MET A  82
TYR A 165
 None
 1.41A 4p6xI-2ww2A:
undetectable		 4p6xI-2ww2A:
15.70
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.
4QYQ_A_3CJA607_1
(LACTOPEROXIDASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		3 / 3 GLN A  87
HIS A  89
ARG A 320
 None
 1.03A 4qyqA-2ww2A:
undetectable		 4qyqA-2ww2A:
21.72
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.
4QYQ_B_3CJB607_1
(LACTOPEROXIDASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		3 / 3 GLN A  87
HIS A  89
ARG A 320
 None
 0.99A 4qyqB-2ww2A:
0.0		 4qyqB-2ww2A:
21.72
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.
4X1I_B_LOCB502_2
(TUBULIN BETA CHAIN)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 LEU A 110
LYS A 241
LEU A 240
THR A 229
ALA A 238
 None
 1.26A 4x1iB-2ww2A:
undetectable		 4x1iB-2ww2A:
20.90
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.
4XI3_A_29SA601_1
(ESTROGEN RECEPTOR)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 THR A 466
ALA A 467
GLU A 471
ARG A 357
PRO A 463
 None
 1.31A 4xi3A-2ww2A:
undetectable		 4xi3A-2ww2A:
14.50
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.
4XP1_A_LDPA708_1
(DOPAMINE
TRANSPORTER, ISOFORM
B)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 10 ASP A 169
ALA A 233
ASP A 234
TYR A 235
GLY A 174
 None
 1.42A 4xp1A-2ww2A:
undetectable		 4xp1A-2ww2A:
21.60
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.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 7 ASP A 616
ILE A 675
GLY A 662
THR A 624
 None
 1.16A 4zxiA-2ww2A:
undetectable		 4zxiA-2ww2A:
20.47
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.
5B6I_B_ADNB302_1
(FLUORINASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 6 ASP A  79
THR A  78
TYR A  77
THR A  38
 None
None
MPD  A 759 (-3.9A)
None
 1.43A 5b6iB-2ww2A:
undetectable		 5b6iB-2ww2A:
19.52
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.
5BPH_A_ACTA403_0
(D-ALANINE--D-ALANINE
LIGASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 6 TYR A  75
GLY A  37
SER A 640
LEU A  35
 None
None
MPD  A 759 (-3.9A)
MPD  A 759 ( 4.0A)
 1.19A 5bphA-2ww2A:
undetectable		 5bphA-2ww2A:
19.44
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.
5BPH_C_ACTC403_0
(D-ALANINE--D-ALANINE
LIGASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 4 TYR A  75
GLY A  37
SER A 640
LEU A  35
 None
None
MPD  A 759 (-3.9A)
MPD  A 759 ( 4.0A)
 1.22A 5bphC-2ww2A:
undetectable		 5bphC-2ww2A:
19.44
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.
5EWJ_D_QELD503_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 ARG A 629
LEU A 679
ALA A 697
PHE A 693
THR A 301
 GOL  A 801 (-4.3A)
GOL  A 801 (-4.5A)
None
None
GOL  A 801 ( 4.3A)
 1.48A 5ewjC-2ww2A:
undetectable
5ewjD-2ww2A:
undetectable		 5ewjC-2ww2A:
19.67
5ewjD-2ww2A:
19.79
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.
5IWU_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 HIS A  89
PHE A  61
ALA A  54
SER A 102
ILE A 103
 None
 1.40A 5iwuA-2ww2A:
undetectable		 5iwuA-2ww2A:
17.91
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.
5K9D_A_ACTA405_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		3 / 3 GLN A 625
THR A 624
ASP A 616
 None
 0.94A 5k9dA-2ww2A:
undetectable		 5k9dA-2ww2A:
20.24
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		3 / 3 VAL A 295
ARG A 357
PRO A 361
 None
 0.63A 5koxA-2ww2A:
undetectable		 5koxA-2ww2A:
21.05
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.
5UHB_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		3 / 3 PHE A 356
ASP A 411
LEU A 316
 None
 0.77A 5uhbC-2ww2A:
undetectable		 5uhbC-2ww2A:
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.
5UHC_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		3 / 3 PHE A 352
ASP A 354
LEU A 470
 None
GOL  A 804 (-3.2A)
None
 0.77A 5uhcC-2ww2A:
undetectable		 5uhcC-2ww2A:
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.
5UHC_C_RFPC1201_2
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		3 / 3 PHE A 356
ASP A 411
LEU A 316
 None
 0.75A 5uhcC-2ww2A:
undetectable		 5uhcC-2ww2A:
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.
5WBV_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 SER A 755
ALA A 499
PHE A 548
SER A 546
GLU A 552
 None
 1.49A 5wbvA-2ww2A:
undetectable		 5wbvA-2ww2A:
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.
5WBV_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 SER A 755
ALA A 499
PHE A 548
SER A 546
GLU A 552
 None
 1.50A 5wbvB-2ww2A:
0.0		 5wbvB-2ww2A:
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.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 6 GLU A 592
LYS A 634
LEU A 635
LEU A 596
 None
 1.12A 5yvnA-2ww2A:
undetectable		 5yvnA-2ww2A:
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.
6D9K_F_ACTF802_0
(UNCHARACTERIZED
PROTEIN)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		3 / 3 TYR A  50
ALA A  54
LEU A 317
 GOL  A 802 (-3.9A)
None
GOL  A 802 (-4.8A)
 0.70A 6d9kF-2ww2A:
undetectable		 6d9kF-2ww2A:
22.80
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.
6DWD_B_GLYB709_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 5 GLY A 444
ASN A 403
ARG A 436
ARG A 445
 None
 1.38A 6dwdB-2ww2A:
undetectable
6dwdD-2ww2A:
undetectable		 6dwdB-2ww2A:
21.24
6dwdD-2ww2A:
21.24
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.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 5 ARG A 436
ARG A 445
GLY A 444
ASN A 403
 None
 1.39A 6dwjB-2ww2A:
undetectable
6dwjD-2ww2A:
undetectable		 6dwjB-2ww2A:
21.24
6dwjD-2ww2A:
21.24
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.
6GBN_A_ADNA501_2
(-)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 5 GLN A 304
THR A 652
HIS A 603
LEU A 635
 GOL  A 801 (-2.8A)
None
None
None
 1.32A 6gbnA-2ww2A:
undetectable		 6gbnA-2ww2A:
21.17
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.
6GBN_D_ADND501_2
(-)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 5 GLN A 304
THR A 652
HIS A 603
LEU A 635
 GOL  A 801 (-2.8A)
None
None
None
 1.33A 6gbnD-2ww2A:
undetectable		 6gbnD-2ww2A:
21.17
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.
6HD6_A_STIA603_1
(TYROSINE-PROTEIN
KINASE ABL1)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		4 / 5 LEU A 635
TYR A 636
ILE A 675
GLY A 604
 None
 0.90A 6hd6A-2ww2A:
undetectable		 6hd6A-2ww2A:
7.54
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.
6J21_A_GBQA1201_0
(SUBSTANCE-P
RECEPTOR,ENDOLYSIN)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 12 ASN A  60
ASN A 267
ILE A 259
VAL A 341
PHE A 322
 None
 1.48A 6j21A-2ww2A:
undetectable		 6j21A-2ww2A:
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.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		 2ww2 ALPHA-1,2-MANNOSIDAS
E
(Bacteroides
thetaiotaomicron) 		5 / 10 ASP A 411
GLY A 669
TYR A 474
ASP A 354
THR A 355
 None
None
None
GOL  A 804 (-3.2A)
GOL  A 805 (-3.5A)
 1.19A 6mn1A-2ww2A:
0.0		 6mn1A-2ww2A:
8.57