SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1xup'

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.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		5 / 11 ALA O 101
ILE O 166
GLY O 164
TYR O 193
ALA O 187
 None
 1.09A 1b02A-1xupO:
undetectable		 1b02A-1xupO:
21.10
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.
1J3J_B_CP6B709_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		5 / 9 ALA O 250
ASP O 410
ILE O 404
ILE O 272
THR O 440
 None
 1.41A 1j3jB-1xupO:
undetectable		 1j3jB-1xupO:
18.60
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.
1JNO_A_DVAA6_0
(GRAMICIDIN A)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.90A 1jnoA-1xupO:
undetectable		 1jnoA-1xupO:
11.40
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.
1JNO_B_DVAB6_0
(GRAMICIDIN A)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.90A 1jnoB-1xupO:
undetectable		 1jnoB-1xupO:
11.40
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.
1JO3_A_DVAA6_0
(GRAMICIDIN B)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.91A 1jo3A-1xupO:
undetectable		 1jo3A-1xupO:
4.35
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.
1JO3_B_DVAB6_0
(GRAMICIDIN B)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.91A 1jo3B-1xupO:
undetectable		 1jo3B-1xupO:
4.35
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.
1JO4_A_DVAA6_0
(GRAMICIDIN C)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.94A 1jo4A-1xupO:
undetectable		 1jo4A-1xupO:
4.35
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.
1JO4_B_DVAB6_0
(GRAMICIDIN C)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.95A 1jo4B-1xupO:
undetectable		 1jo4B-1xupO:
4.35
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.
1NG8_A_DVAA6_0
(GRAMICIDIN A)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.91A 1ng8A-1xupO:
undetectable		 1ng8A-1xupO:
10.92
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.
1NG8_B_DVAB6_0
(GRAMICIDIN A)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.91A 1ng8B-1xupO:
undetectable		 1ng8B-1xupO:
10.92
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.
1NRM_A_DVAA6_0
(GRAMICIDIN A)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.93A 1nrmA-1xupO:
undetectable		 1nrmA-1xupO:
11.40
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.
1NRM_B_DVAB6_0
(GRAMICIDIN A)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.93A 1nrmB-1xupO:
undetectable		 1nrmB-1xupO:
11.40
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.
1NRU_A_DVAA6_0
(GRAMICIDIN A)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.89A 1nruA-1xupO:
undetectable		 1nruA-1xupO:
11.40
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.
1NRU_B_DVAB6_0
(GRAMICIDIN A)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 ALA O  62
VAL O  57
TRP O  54
 None
 0.89A 1nruB-1xupO:
undetectable		 1nruB-1xupO:
11.40
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		4 / 7 TYR O 225
HIS O 227
LEU O 174
ILE O  80
 None
 1.09A 1tuvA-1xupO:
undetectable		 1tuvA-1xupO:
13.20
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.
2J2P_B_SC2B1290_1
(FICOLIN-2)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		4 / 8 LEU O 192
SER O 212
LEU O 208
ASP O 206
 None
 0.86A 2j2pA-1xupO:
undetectable
2j2pB-1xupO:
undetectable		 2j2pA-1xupO:
17.78
2j2pB-1xupO:
17.78
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.
2YVL_B_SAMB602_1
(HYPOTHETICAL PROTEIN)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 GLU O 479
ASP O 425
TYR O 387
 None
 0.75A 2yvlB-1xupO:
undetectable		 2yvlB-1xupO:
21.22
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.
3N3I_A_ROCA201_1
(PROTEASE)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		5 / 12 GLY O 245
ALA O 244
ASP O 167
GLY O  79
ALA O 250
 None
 1.12A 3n3iA-1xupO:
undetectable		 3n3iA-1xupO:
17.66
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.
3SFU_B_RBVB601_1
(RNA POLYMERASE)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		5 / 9 ASP O 167
THR O  81
ASN O  82
GLY O 245
LEU O 251
 None
 1.48A 3sfuB-1xupO:
undetectable		 3sfuB-1xupO:
22.04
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.
3V4T_E_ACTE503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 GLN O 248
THR O 190
ASN O 186
 None
 0.83A 3v4tE-1xupO:
undetectable		 3v4tE-1xupO:
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.
4C5L_C_UEGC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		5 / 10 GLY O 353
ASP O 358
ALA O 361
GLY O 351
VAL O 346
 None
 1.41A 4c5lC-1xupO:
undetectable		 4c5lC-1xupO:
19.38
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.
4C5L_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		5 / 10 GLY O 353
ASP O 358
ALA O 361
GLY O 351
VAL O 346
 None
 1.34A 4c5lD-1xupO:
undetectable		 4c5lD-1xupO:
19.38
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_MTLA870_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		4 / 8 SER O 188
ARG O 189
ILE O 291
ASN O 194
 None
 1.06A 4d33A-1xupO:
undetectable		 4d33A-1xupO:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L9Q_B_9TPB601_1
(SERUM ALBUMIN)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		5 / 12 ALA O 250
ILE O 195
HIS O 196
LEU O 288
GLY O 130
 None
 1.15A 4l9qB-1xupO:
undetectable		 4l9qB-1xupO:
21.90
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.
4OT2_A_NPSA602_1
(SERUM ALBUMIN)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		4 / 6 ARG O 143
ALA O 139
LEU O 192
SER O 212
 None
 1.04A 4ot2A-1xupO:
undetectable		 4ot2A-1xupO:
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.
4RYA_A_MTLA501_1
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		3 / 3 GLU O 304
TYR O 136
GLU O  85
 None
None
GOL  O 500 (-3.8A)
 0.78A 4ryaA-1xupO:
undetectable		 4ryaA-1xupO:
24.24
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.
4URO_A_NOVA2000_1
(DNA GYRASE SUBUNIT B)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		5 / 12 SER O 400
ILE O 404
PRO O 405
GLN O 432
ILE O 262
 None
 1.37A 4uroA-1xupO:
undetectable		 4uroA-1xupO:
20.91
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.
5LJB_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		4 / 8 LEU O 146
LEU O 162
ILE O  53
GLN O  83
 None
 0.87A 5ljbA-1xupO:
undetectable		 5ljbA-1xupO:
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.
6A7P_B_9SCB601_1
(SERUM ALBUMIN)		 1xup GLYCEROL KINASE
(Enterococcus
casseliflavus) 		4 / 6 PHE O 271
TYR O 136
LEU O 131
SER O 138
 GOL  O 500 ( 4.8A)
None
None
None
 1.23A 6a7pB-1xupO:
undetectable		 6a7pB-1xupO:
21.90