SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4upk'

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.
1MZ9_D_VDYD1001_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 4 THR A 276
LEU A 280
VAL A 283
LEU A 287
 None
 0.75A 1mz9D-4upkA:
undetectable		 1mz9D-4upkA:
4.96
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 8 TYR A 101
GLU A 122
HIS A 214
TYR A 160
 None
 1.10A 1nx9A-4upkA:
undetectable		 1nx9A-4upkA:
23.28
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 8 TYR A 101
GLU A 122
HIS A 214
TYR A 160
 None
 1.11A 1nx9B-4upkA:
undetectable		 1nx9B-4upkA:
23.28
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 8 TYR A 101
GLU A 122
HIS A 214
TYR A 160
 None
 1.12A 1nx9C-4upkA:
undetectable		 1nx9C-4upkA:
23.28
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 8 TYR A 101
GLU A 122
HIS A 214
TYR A 160
 None
 1.13A 1nx9D-4upkA:
undetectable		 1nx9D-4upkA:
23.28
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.
1RK3_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 4 LEU A 193
ILE A 313
ARG A 346
TYR A 210
 None
 1.44A 1rk3A-4upkA:
undetectable		 1rk3A-4upkA:
20.45
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.
1T7I_A_017A200_1
(POL POLYPROTEIN)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		5 / 10 LEU A 193
GLY A 296
ASP A 292
ILE A  12
ILE A 313
 None
 1.02A 1t7iA-4upkA:
undetectable		 1t7iA-4upkA:
14.38
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.
2BM9_A_SAMA301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		6 / 12 LEU A 481
GLU A 442
SER A 477
ASP A 407
ALA A 444
ALA A 427
 None
 1.37A 2bm9A-4upkA:
undetectable		 2bm9A-4upkA:
19.96
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.
2BR4_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		6 / 12 LEU A 481
GLU A 442
SER A 477
ASP A 407
ALA A 444
ALA A 427
 None
 1.45A 2br4F-4upkA:
undetectable		 2br4F-4upkA:
20.52
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.
2EIM_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.20A 2eimJ-4upkA:
undetectable		 2eimJ-4upkA:
8.05
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.
2EIM_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.25A 2eimW-4upkA:
undetectable		 2eimW-4upkA:
8.05
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.
2PLW_A_SAMA203_1
(RIBOSOMAL RNA
METHYLTRANSFERASE,
PUTATIVE)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		3 / 3 SER A  59
ASP A 364
ASP A 382
 None
 0.75A 2plwA-4upkA:
1.7		 2plwA-4upkA:
14.44
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 THR A 341
THR A 209
HIS A 207
LEU A  61
 None
 1.32A 2zj0A-4upkA:
undetectable		 2zj0A-4upkA:
22.18
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.
2ZLC_A_VDXA500_2
(VITAMIN D3 RECEPTOR)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 LEU A 193
ILE A 313
ARG A 346
TYR A 210
 None
 1.48A 2zlcA-4upkA:
undetectable		 2zlcA-4upkA:
22.10
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.
3AG1_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.23A 3ag1J-4upkA:
undetectable		 3ag1J-4upkA:
8.05
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.
3AG2_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.23A 3ag2J-4upkA:
undetectable		 3ag2J-4upkA:
8.05
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.
3AG4_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.25A 3ag4J-4upkA:
undetectable		 3ag4J-4upkA:
8.05
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.
3ELZ_B_CHDB152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		3 / 3 ASN A  68
HIS A  69
VAL A  72
 None
 0.67A 3elzB-4upkA:
undetectable		 3elzB-4upkA:
13.01
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.
3EQM_A_ASDA601_1
(CYTOCHROME P450 19A1)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		5 / 10 ILE A  12
ILE A 295
ASP A 292
VAL A  28
LEU A  20
 None
 1.46A 3eqmA-4upkA:
undetectable		 3eqmA-4upkA:
22.11
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.
3TGV_B_BEZB1_0
(HEME-BINDING PROTEIN
HUTZ)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 6 ARG A 399
PHE A 389
PRO A 395
LEU A 386
 None
 1.38A 3tgvB-4upkA:
undetectable		 3tgvB-4upkA:
13.42
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.
3TGV_C_BEZC1_0
(HEME-BINDING PROTEIN
HUTZ)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 ARG A 399
PHE A 389
PRO A 395
LEU A 386
 None
 1.33A 3tgvC-4upkA:
undetectable		 3tgvC-4upkA:
13.42
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.
3TGV_D_BEZD1_0
(HEME-BINDING PROTEIN
HUTZ)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 6 ARG A 399
PHE A 389
PRO A 395
LEU A 386
 None
 1.41A 3tgvD-4upkA:
undetectable		 3tgvD-4upkA:
13.42
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.
4KQ8_A_ASDA602_1
(CYTOCHROME P450 19A1)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		5 / 10 ILE A  12
ILE A 295
ASP A 292
VAL A  28
LEU A  20
 None
 1.47A 4kq8A-4upkA:
undetectable		 4kq8A-4upkA:
22.69
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.
4KYS_B_VIBB501_1
(THIAMINE
PYRIDINYLASE I)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		5 / 11 ASP A 318
ILE A 211
THR A  50
ASP A  13
LEU A 136
 None
 1.29A 4kysB-4upkA:
undetectable		 4kysB-4upkA:
19.66
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.
4LVC_A_ADNA501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 THR A 341
THR A 209
HIS A 207
LEU A  61
 None
 1.15A 4lvcA-4upkA:
undetectable		 4lvcA-4upkA:
22.97
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.
4LVC_C_ADNC501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 THR A 341
THR A 209
HIS A 207
LEU A  61
 None
 1.13A 4lvcC-4upkA:
undetectable		 4lvcC-4upkA:
22.97
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.
4MM4_B_8PRB603_2
(TRANSPORTER)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		3 / 3 SER A 477
MET A 480
ASP A 453
 None
 0.82A 4mm4B-4upkA:
undetectable		 4mm4B-4upkA:
21.07
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.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 7 GLY A 330
SER A 328
GLY A 324
TYR A 335
 None
 0.78A 5e26A-4upkA:
undetectable
5e26B-4upkA:
undetectable		 5e26A-4upkA:
20.58
5e26B-4upkA:
20.58
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.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 7 TYR A 335
GLY A 330
SER A 328
GLY A 324
 None
 0.80A 5e26A-4upkA:
undetectable
5e26B-4upkA:
undetectable		 5e26A-4upkA:
20.58
5e26B-4upkA:
20.58
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.
5E26_C_PAUC602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		5 / 7 GLY A 330
SER A 328
GLY A 324
TYR A 335
ALA A 338
 None
 1.12A 5e26C-4upkA:
undetectable
5e26D-4upkA:
undetectable		 5e26C-4upkA:
20.58
5e26D-4upkA:
20.58
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.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 8 TYR A 335
GLY A 330
SER A 328
GLY A 324
 None
 0.78A 5e26C-4upkA:
undetectable
5e26D-4upkA:
undetectable		 5e26C-4upkA:
20.58
5e26D-4upkA:
20.58
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.
5JL7_A_ASDA601_1
(AROMATASE)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		5 / 10 ILE A  12
ILE A 295
ASP A 292
VAL A  28
LEU A  20
 None
 1.46A 5jl7A-4upkA:
undetectable		 5jl7A-4upkA:
22.11
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.
5JS5_A_ASCA202_0
(CYTOCHROME C')		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		3 / 3 CYH A 350
LYS A 351
HIS A 354
 None
 1.17A 5js5A-4upkA:
undetectable		 5js5A-4upkA:
12.20
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.
5UTU_H_ADNH503_2
(ADENOSYLHOMOCYSTEINA
SE)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 THR A  76
GLU A 410
THR A 415
LEU A 406
 None
 1.12A 5utuH-4upkA:
undetectable		 5utuH-4upkA:
20.59
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.
5W97_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.24A 5w97J-4upkA:
undetectable		 5w97J-4upkA:
8.05
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.
5WAU_J_CHDJ101_1
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.16A 5wauJ-4upkA:
undetectable		 5wauJ-4upkA:
8.05
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.
5X19_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.24A 5x19J-4upkA:
undetectable		 5x19J-4upkA:
8.05
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.
5X1B_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.21A 5x1bJ-4upkA:
undetectable		 5x1bJ-4upkA:
8.05
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.
5X1B_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.11A 5x1bW-4upkA:
undetectable		 5x1bW-4upkA:
8.05
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.
5X1F_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.18A 5x1fW-4upkA:
undetectable		 5x1fW-4upkA:
8.05
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.
5XIP_B_HFGB1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		5 / 12 PHE A   9
VAL A 315
THR A 209
PHE A 128
THR A 104
 None
 1.46A 5xipB-4upkA:
undetectable		 5xipB-4upkA:
20.45
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.
5YCP_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		5 / 12 HIS A  46
LEU A  20
ILE A 295
LEU A 386
LEU A 365
 None
 1.48A 5ycpA-4upkA:
undetectable		 5ycpA-4upkA:
9.72
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.
5Z86_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.24A 5z86J-4upkA:
undetectable		 5z86J-4upkA:
8.05
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.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		3 / 3 ASN A 487
VAL A  72
HIS A  69
 None
 0.81A 6a5yD-4upkA:
undetectable		 6a5yD-4upkA:
10.53
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.
6G31_C_ZOLC401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 ASP A  13
ARG A  57
GLN A  14
LYS A 331
 None
 1.40A 6g31C-4upkA:
undetectable		 6g31C-4upkA:
9.59
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 7 LEU A 476
ASP A 472
ARG A 475
GLN A 455
 None
 1.18A 6g31D-4upkA:
undetectable		 6g31D-4upkA:
9.59
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
(-)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 THR A 341
THR A 209
HIS A 207
LEU A  61
 None
 1.15A 6gbnA-4upkA:
undetectable		 6gbnA-4upkA:
20.32
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
(-)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 THR A 341
THR A 209
HIS A 207
LEU A  61
 None
 1.15A 6gbnD-4upkA:
undetectable		 6gbnD-4upkA:
20.32
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.
6NKN_J_CHDJ102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.27A 6nknJ-4upkA:
undetectable		 6nknJ-4upkA:
8.05
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.
6NKN_W_CHDW102_0
(CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4upk PHOSPHONATE
MONOESTER HYDROLASE
(Ruegeria
pomeroyi) 		4 / 5 TYR A 257
MET A 332
THR A 333
LEU A 406
 None
 1.30A 6nknW-4upkA:
undetectable		 6nknW-4upkA:
8.05