SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4xdt'

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.
1P7L_C_SAMC685_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.88A 1p7lC-4xdtA:
undetectable		 1p7lC-4xdtA:
24.70
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.
1P7L_C_SAMC885_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.86A 1p7lD-4xdtA:
undetectable		 1p7lD-4xdtA:
24.70
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.
1Q23_L_FUAL710_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 11 PHE A 276
SER A 274
LEU A 338
VAL A 331
VAL A 319
 None
ACT  A 409 ( 4.5A)
None
None
None
 1.25A 1q23L-4xdtA:
undetectable		 1q23L-4xdtA:
19.12
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.
1RG9_A_SAMA385_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.87A 1rg9A-4xdtA:
undetectable		 1rg9A-4xdtA:
24.70
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.
1RG9_B_SAMB485_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.85A 1rg9B-4xdtA:
undetectable		 1rg9B-4xdtA:
24.70
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.
1RG9_C_SAMC585_0
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.86A 1rg9C-4xdtA:
undetectable		 1rg9C-4xdtA:
24.70
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.
1RG9_C_SAMC685_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.85A 1rg9D-4xdtA:
undetectable		 1rg9D-4xdtA:
24.70
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 10 LEU A 286
ILE A 325
GLY A 324
PRO A 278
ILE A 275
 None
EDO  A 410 ( 4.4A)
EDO  A 411 ( 4.6A)
EDO  A 410 (-3.7A)
None
 0.93A 1sdtA-4xdtA:
undetectable		 1sdtA-4xdtA:
14.12
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.
1SDV_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 10 LEU A 286
ILE A 325
GLY A 324
PRO A 278
ILE A 275
 None
EDO  A 410 ( 4.4A)
EDO  A 411 ( 4.6A)
EDO  A 410 (-3.7A)
None
 0.96A 1sdvA-4xdtA:
undetectable		 1sdvA-4xdtA:
13.53
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.
2J9D_A_ACTA1117_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		3 / 3 ASP A 187
ARG A  24
ARG A  22
 None
ACT  A 408 (-3.1A)
None
 0.80A 2j9dA-4xdtA:
2.8
2j9dC-4xdtA:
1.0		 2j9dA-4xdtA:
16.42
2j9dC-4xdtA:
16.42
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.
2KOT_B_ANWB99_0
(PROTEIN S100-A13)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 ALA A 184
VAL A 173
PHE A 193
ASP A 234
 None
EDO  A 413 ( 3.9A)
EDO  A 413 ( 3.6A)
ACT  A 407 (-2.5A)
 1.24A 2kotB-4xdtA:
undetectable		 2kotB-4xdtA:
12.17
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.
2OBV_A_SAMA501_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.87A 2obvA-4xdtA:
undetectable		 2obvA-4xdtA:
22.94
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.
2P02_A_SAMA2_0
(S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.90A 2p02A-4xdtA:
undetectable		 2p02A-4xdtA:
22.99
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.
3E22_B_LOCB700_2
(TUBULIN BETA-2B
CHAIN)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 11 LEU A 175
LEU A  38
ALA A  37
ALA A 184
VAL A 186
 None
 1.21A 3e22B-4xdtA:
undetectable		 3e22B-4xdtA:
21.14
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.
3E22_D_LOCD700_2
(TUBULIN BETA-2B
CHAIN)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 11 LEU A 175
LEU A  38
ALA A  37
ALA A 184
VAL A 186
 None
 1.21A 3e22D-4xdtA:
undetectable		 3e22D-4xdtA:
21.14
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.
3E23_A_SAMA221_1
(UNCHARACTERIZED
PROTEIN RPA2492)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		3 / 3 TYR A  55
ASP A 113
HIS A 256
 FAD  A 401 (-4.0A)
None
FAD  A 401 (-3.4A)
 0.85A 3e23A-4xdtA:
undetectable		 3e23A-4xdtA:
21.97
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.
3K13_C_THHC643_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		3 / 3 ASN A 109
ASP A 159
ARG A 217
 FAD  A 401 ( 4.9A)
FAD  A 401 (-2.3A)
None
 0.81A 3k13C-4xdtA:
undetectable		 3k13C-4xdtA:
23.55
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.
3MG0_K_BO2K1402_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 11 ALA A 283
ALA A 277
VAL A 238
ALA A 162
ASP A 170
 None
None
ACT  A 409 ( 4.6A)
FAD  A 401 ( 3.2A)
EDO  A 413 (-2.8A)
 0.87A 3mg0K-4xdtA:
undetectable
3mg0L-4xdtA:
3.1		 3mg0K-4xdtA:
20.67
3mg0L-4xdtA:
21.28
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.
3MG0_Y_BO2Y1403_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 12 ALA A 283
ALA A 277
VAL A 238
ALA A 162
ASP A 170
 None
None
ACT  A 409 ( 4.6A)
FAD  A 401 ( 3.2A)
EDO  A 413 (-2.8A)
 0.85A 3mg0Y-4xdtA:
undetectable
3mg0Z-4xdtA:
undetectable		 3mg0Y-4xdtA:
20.67
3mg0Z-4xdtA:
21.28
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 12 LEU A  45
ALA A 164
GLY A 166
LEU A  52
ALA A 162
 None
FAD  A 401 (-2.6A)
None
FAD  A 401 ( 3.9A)
FAD  A 401 ( 3.2A)
 1.13A 3ou6A-4xdtA:
undetectable		 3ou6A-4xdtA:
23.65
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 12 LEU A  45
ALA A 164
GLY A 166
LEU A  52
ALA A 162
 None
FAD  A 401 (-2.6A)
None
FAD  A 401 ( 3.9A)
FAD  A 401 ( 3.2A)
 1.15A 3ou6B-4xdtA:
undetectable		 3ou6B-4xdtA:
23.65
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.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 12 LEU A  45
ALA A 164
GLY A 166
LEU A  52
ALA A 162
 None
FAD  A 401 (-2.6A)
None
FAD  A 401 ( 3.9A)
FAD  A 401 ( 3.2A)
 1.12A 3ou7B-4xdtA:
undetectable		 3ou7B-4xdtA:
23.65
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.
3U9F_D_CLMD221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 12 SER A 322
LEU A 302
VAL A 308
ALA A 287
CYH A 290
 None
None
EDO  A 410 ( 4.3A)
MG  A 402 ( 4.8A)
None
 1.35A 3u9fD-4xdtA:
undetectable
3u9fE-4xdtA:
undetectable		 3u9fD-4xdtA:
19.12
3u9fE-4xdtA:
19.12
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.
3U9F_G_CLMG221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 12 SER A 322
LEU A 302
VAL A 308
ALA A 287
CYH A 290
 None
None
EDO  A 410 ( 4.3A)
MG  A 402 ( 4.8A)
None
 1.35A 3u9fG-4xdtA:
undetectable
3u9fH-4xdtA:
undetectable		 3u9fG-4xdtA:
19.12
3u9fH-4xdtA:
19.12
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.
3ZQT_A_TESA1000_1
(ANDROGEN RECEPTOR)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 12 LEU A  61
LEU A  64
ASN A  65
GLN A 150
ARG A 138
 None
 1.41A 3zqtA-4xdtA:
undetectable		 3zqtA-4xdtA:
22.19
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.
4B53_B_ACTB1445_0
(IG GAMMA-4 CHAIN C
REGION)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		3 / 3 GLU A  49
GLY A  18
SER A  53
 FAD  A 401 ( 4.5A)
FAD  A 401 (-3.5A)
FAD  A 401 ( 3.3A)
 0.68A 4b53B-4xdtA:
undetectable		 4b53B-4xdtA:
16.18
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.
4BBO_C_ACTC1113_0
(BLR5658 PROTEIN)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 4 ASN A 191
ALA A 169
GLY A 166
THR A 281
 None
 1.25A 4bboC-4xdtA:
undetectable		 4bboC-4xdtA:
14.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IFX_A_ACTA404_0
(THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 5 SER A  27
LYS A  28
ARG A  29
LEU A 181
ASP A 182
 ACT  A 406 (-2.6A)
None
None
ACT  A 406 (-4.4A)
ACT  A 406 ( 2.5A)
 0.77A 4ifxA-4xdtA:
55.4		 4ifxA-4xdtA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IFX_A_ACTA405_0
(THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 5 ARG A  24
LEU A 185
LYS A 198
TRP A 212
ASN A 213
 ACT  A 408 (-3.1A)
ACT  A 408 (-3.9A)
ACT  A 408 (-2.8A)
ACT  A 408 ( 4.8A)
ACT  A 408 (-4.4A)
 0.26A 4ifxA-4xdtA:
55.4		 4ifxA-4xdtA:
99.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4IG1_A_ACTA504_0
(FAD:PROTEIN FMN
TRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 5 SER A  27
LYS A  28
ARG A  29
LEU A 181
ASP A 182
 ACT  A 406 (-2.6A)
None
None
ACT  A 406 (-4.4A)
ACT  A 406 ( 2.5A)
 0.72A 4ig1A-4xdtA:
55.2		 4ig1A-4xdtA:
99.71
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.
4KTT_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.85A 4kttA-4xdtA:
undetectable		 4kttA-4xdtA:
22.99
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.
4KTT_C_SAMC404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.85A 4kttC-4xdtA:
undetectable		 4kttC-4xdtA:
22.99
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.
4NDN_A_SAMA407_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.93A 4ndnA-4xdtA:
undetectable		 4ndnA-4xdtA:
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.
4NDN_C_SAMC405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 7 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.89A 4ndnC-4xdtA:
undetectable		 4ndnC-4xdtA:
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.
4ODJ_A_SAMA500_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 7 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.90A 4odjA-4xdtA:
undetectable		 4odjA-4xdtA:
21.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XDR_A_ADNA402_1
(FAD:PROTEIN FMN
TRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		12 / 12 PHE A  97
LEU A 101
VAL A 105
ASP A 159
GLY A 161
ALA A 162
HIS A 256
ILE A 257
ILE A 258
PRO A 260
THR A 288
VAL A 292
 FAD  A 401 (-3.4A)
FAD  A 401 (-4.7A)
FAD  A 401 ( 3.9A)
FAD  A 401 (-2.3A)
FAD  A 401 (-3.2A)
FAD  A 401 ( 3.2A)
FAD  A 401 (-3.4A)
FAD  A 401 (-4.3A)
FAD  A 401 (-4.4A)
EDO  A 414 ( 3.6A)
FAD  A 401 ( 3.1A)
EDO  A 414 (-4.2A)
 0.29A 4xdrA-4xdtA:
54.7		 4xdrA-4xdtA:
99.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XDT_A_ACTA406_0
(FAD:PROTEIN FMN
TRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 5 SER A  27
LYS A  28
ARG A  29
LEU A 181
ASP A 182
 ACT  A 406 (-2.6A)
None
None
ACT  A 406 (-4.4A)
ACT  A 406 ( 2.5A)
 0.03A 4xdtA-4xdtA:
undetectable		 4xdtA-4xdtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XDT_A_ACTA407_0
(FAD:PROTEIN FMN
TRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		3 / 3 ASP A 182
GLY A 196
ASP A 234
 ACT  A 406 ( 2.5A)
ACT  A 407 (-2.9A)
ACT  A 407 (-2.5A)
 0.03A 4xdtA-4xdtA:
57.2		 4xdtA-4xdtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XDT_A_ACTA408_0
(FAD:PROTEIN FMN
TRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 5 ARG A  24
LEU A 185
LYS A 198
TRP A 212
ASN A 213
 ACT  A 408 (-3.1A)
ACT  A 408 (-3.9A)
ACT  A 408 (-2.8A)
ACT  A 408 ( 4.8A)
ACT  A 408 (-4.4A)
 0.22A 4xdtA-4xdtA:
57.2		 4xdtA-4xdtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XDT_A_ACTA409_0
(FAD:PROTEIN FMN
TRANSFERASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 5 ILE A 192
VAL A 214
ILE A 216
VAL A 237
THR A 239
 ACT  A 409 (-3.7A)
ACT  A 409 ( 4.6A)
ACT  A 409 (-4.0A)
ACT  A 409 (-4.5A)
ACT  A 409 (-3.4A)
 0.01A 4xdtA-4xdtA:
57.2		 4xdtA-4xdtA:
100.00
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.
4Y8W_A_STRA604_1
(CYTOCHROME P450
21-HYDROXYLASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 12 VAL A 319
SER A 274
VAL A 331
GLY A 215
VAL A 232
 None
ACT  A 409 ( 4.5A)
None
ACT  A 409 (-4.3A)
EDO  A 411 (-3.2A)
 1.10A 4y8wA-4xdtA:
undetectable		 4y8wA-4xdtA:
22.24
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.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		5 / 12 VAL A 319
SER A 274
VAL A 331
GLY A 215
VAL A 232
 None
ACT  A 409 ( 4.5A)
None
ACT  A 409 (-4.3A)
EDO  A 411 (-3.2A)
 1.10A 4y8wB-4xdtA:
undetectable		 4y8wB-4xdtA:
22.24
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.
5A1I_A_ADNA407_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.85A 5a1iA-4xdtA:
undetectable		 5a1iA-4xdtA:
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.
5A1I_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 7 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.85A 5a1iA-4xdtA:
undetectable		 5a1iA-4xdtA:
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.
5JW1_B_CELB602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 6 VAL A 229
SER A 231
ILE A 325
PHE A 276
 None
None
EDO  A 410 ( 4.4A)
None
 0.95A 5jw1B-4xdtA:
undetectable		 5jw1B-4xdtA:
20.04
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.
5T8S_B_SAMB402_1
(S-ADENOSYLMETHIONINE
SYNTHASE)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.88A 5t8sB-4xdtA:
undetectable		 5t8sB-4xdtA:
23.80
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.
6FBN_B_SAMB401_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.87A 6fbnB-4xdtA:
undetectable		 6fbnB-4xdtA:
22.86
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.
6FBO_A_ADNA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.84A 6fboA-4xdtA:
undetectable		 6fboA-4xdtA:
13.85
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.
6FCB_A_SAMA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.85A 6fcbA-4xdtA:
undetectable		 6fcbA-4xdtA:
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.
6FCD_A_ADNA405_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 8 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.84A 6fcdA-4xdtA:
undetectable		 6fcdA-4xdtA:
13.85
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.
6G6R_A_SAMA406_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 4xdt FAD:PROTEIN FMN
TRANSFERASE
(Treponema
pallidum) 		4 / 7 HIS A 220
ASP A 218
PHE A 336
ASP A 271
 None
 0.86A 6g6rA-4xdtA:
undetectable		 6g6rA-4xdtA:
22.45