POTENTIAL TARGETS FROM HUMAN (RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES)
1) User may click on the DrReposER ID (the second column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.


DrReposER ID / Desc. Hit
PDBID
Hit
Macromolecule
Res.
Matches
Interface HETATM RMSD 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.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
1h2t 80 KDA NUCLEAR CAP
BINDING PROTEIN
(Homo
sapiens)
4 / 6ASN C 415
ARG C 746
ASN C 742
GLN C 749
None
1.41A20.78
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.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN
(Homo
sapiens)
4 / 6PHE A2228
ASN A2222
ASN A2210
GLN A2216
None
1.44A16.76
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.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
1xm9 PLAKOPHILIN 1
(Homo
sapiens)
4 / 6PHE A 404
ARG A 312
ASN A 356
GLN A 349
None
1.25A20.62
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.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
5lcw CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG
(Homo
sapiens)
4 / 6ASN Q 329
ARG Q 445
ASN Q 183
GLN Q 401
None
1.44A15.46
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.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)
5lcw CELL DIVISION CYCLE
PROTEIN 20 HOMOLOG
(Homo
sapiens)
4 / 6ASN R 329
ARG R 445
ASN R 183
GLN R 401
None
1.44A18.14
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
1as4 ANTICHYMOTRYPSIN
(Homo
sapiens)
3 / 3ARG A 166
GLY A 167
SER A 292
None
0.64A20.71
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
1f59 IMPORTIN BETA-1
(Homo
sapiens)
3 / 3ARG A 182
GLY A 180
SER A 201
None
0.60A21.30
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
2d8m DNA-REPAIR PROTEIN
XRCC1
(Homo
sapiens)
3 / 3ARG A  82
GLY A  81
SER A  31
None
0.55A10.51
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
2f28 SIALIDASE 2
(Homo
sapiens)
3 / 3ARG A 204
GLY A 203
SER A 137
None
0.56A20.41
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
2he3 GLUTATHIONE
PEROXIDASE 2
(Homo
sapiens)
3 / 3ARG A  29
GLY A  28
SER A   7
None
0.63A13.71
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
2lgw DNAJ HOMOLOG
SUBFAMILY B MEMBER 2
(Homo
sapiens)
3 / 3ARG A  67
GLY A  69
SER A   3
None
0.62A10.83
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
2ozu HISTONE
ACETYLTRANSFERASE
MYST3
(Homo
sapiens)
3 / 3ARG A 660
GLY A 659
SER A 684
None
ACO  A 850 (-3.4A)
ACO  A 850 (-2.8A)
0.59A17.10
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
3ap1 PROTEIN-TYROSINE
SULFOTRANSFERASE 2
(Homo
sapiens)
3 / 3ARG A  95
GLY A 275
SER A 261
None
0.64A19.10
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
3hlk ACYL-COENZYME A
THIOESTERASE 2,
MITOCHONDRIAL
(Homo
sapiens)
3 / 3ARG A 205
GLY A 204
SER A 279
None
0.62A22.29
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
3zcw KINESIN-LIKE PROTEIN
KIF11
(Homo
sapiens)
3 / 3ARG A 192
GLY A 193
SER A 240
None
0.62A19.66
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
4cak INTEGRIN BETA-3
(Homo
sapiens)
3 / 3ARG B 578
GLY B 579
SER B 677
None
0.56A21.26
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
4lhu 9C2 TCR DELTA CHAIN
9C2 TCR GAMMA CHAIN
(Homo
sapiens)
3 / 3ARG G 103
GLY G 104
SER D  63
CL  G 301 ( 3.6A)
None
None
0.48A14.99
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
4qds NEUROPILIN-2
(Homo
sapiens)
3 / 3ARG A 405
GLY A 369
SER A 294
None
0.64A14.33
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5b4w PLEXIN-B1
(Homo
sapiens)
3 / 3ARG A 272
GLY A 271
SER A 241
None
0.49A22.40
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5la7 HEPARANASE
(Homo
sapiens)
3 / 3ARG A 303
GLY A 349
SER A 228
None
6S6  A 613 (-3.7A)
None
0.64A21.10
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5w7c ACYLOXYACYL
HYDROLASE
(Homo
sapiens)
3 / 3ARG C 202
GLY C 203
SER C 318
None
0.38A7.52
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.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
6d6q EXOSOME COMPLEX
COMPONENT RRP42
EXOSOME COMPLEX
EXONUCLEASE RRP44
(Homo
sapiens)
3 / 3ARG E 284
GLY E 281
SER K   4
None
0.66A7.61
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
1b41 ACETYLCHOLINESTERASE
(Homo
sapiens)
3 / 3ARG A 478
GLU A 491
SER A 196
None
0.89A21.65
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
1elk TARGET OF MYB1
(Homo
sapiens)
3 / 3ARG A  16
GLU A  35
SER A  24
None
0.89A12.28
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
1m9i ANNEXIN VI
(Homo
sapiens)
3 / 3ARG A 276
GLU A 100
SER A  13
None
0.90A24.19
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
1pex COLLAGENASE-3
(Homo
sapiens)
3 / 3ARG A 413
GLU A 417
SER A 378
None
0.87A14.45
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
1r4x COATOMER GAMMA
SUBUNIT
(Homo
sapiens)
3 / 3ARG A 859
GLU A 784
SER A 816
None
0.85A16.79
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
1v5j KIAA1355 PROTEIN
(Homo
sapiens)
3 / 3ARG A  79
GLU A  43
SER A   6
None
0.85A9.34
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT
(Homo
sapiens)
3 / 3ARG A 497
GLU A 440
SER A 543
None
0.86A20.96
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
3j2s COAGULATION FACTOR
VIII LIGHT CHAIN
(Homo
sapiens)
3 / 3ARG B1997
GLU B1999
SER B1713
None
0.88A21.66
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
4f52 GLOMULIN
(Homo
sapiens)
3 / 3ARG E 470
GLU E 417
SER E 516
None
0.88A23.26
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
4flc ADENYLOSUCCINATE
LYASE
(Homo
sapiens)
3 / 3ARG A 149
GLU A 148
SER A 301
None
0.92A21.28
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
4igg CATENIN ALPHA-1
(Homo
sapiens)
3 / 3ARG A 626
GLU A 516
SER A 846
None
0.86A22.55
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1
(Homo
sapiens;
synthetic
construct)
3 / 3ARG A1423
GLU A1420
SER A1785
None
0.88A11.70
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
4zdl O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE
(Homo
sapiens)
3 / 3ARG A 234
GLU A 237
SER A 259
None
0.90A21.29
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5anb ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1
(Homo
sapiens)
3 / 3ARG K 619
GLU K 653
SER K 101
None
0.86A21.18
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5cjb OSTEOCLAST-ASSOCIATE
D
IMMUNOGLOBULIN-LIKE
RECEPTOR
(Homo
sapiens)
3 / 3ARG A  56
GLU A  88
SER A 205
None
0.68A15.16
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5eod COAGULATION FACTOR
XI
(Homo
sapiens)
3 / 3ARG A 234
GLU A 231
SER A 349
None
0.80A20.98
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5n7f MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1,ANNEXIN A2
(Homo
sapiens)
3 / 3ARG A 829
GLU A 652
SER A 565
None
0.91A21.88
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.
2XCT_H_CPFH1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5o2c SERINE/THREONINE-PRO
TEIN KINASE WNK3
(Homo
sapiens)
3 / 3ARG A 412
GLU A 433
SER A 344
None
None
PEG  A 601 (-4.7A)
0.92A19.94
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
1ef7 CATHEPSIN X
(Homo
sapiens)
4 / 4ARG A 138
GLY A 137
GLU A 139
SER A 183
None
1.42A16.26
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
1o1j HEMOGLOBIN ALPHA
CHAIN
(Homo
sapiens)
4 / 4ARG A  31
GLY A  25
GLU A  27
SER A 133
None
1.15A18.42
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
1o1j HEMOGLOBIN ALPHA
CHAIN
(Homo
sapiens)
4 / 4ARG A 173
GLY A 167
GLU A 169
SER A 275
None
1.12A18.42
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
2iwi SERINE/THREONINE-PRO
TEIN KINASE PIM-2
(Homo
sapiens)
4 / 4ARG A 101
GLY A  98
GLU A 117
SER A 156
None
1.24A18.13
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 4ARG A 675
GLY A 609
GLU A 605
SER A 910
None
1.29A24.12
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
3hy8 PYRIDOXINE-5'-PHOSPH
ATE OXIDASE
(Homo
sapiens)
4 / 4ARG A 116
GLY A 118
GLU A 120
SER A 172
PO4  A 370 ( 3.7A)
None
None
None
1.30A16.12
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
3j7y MS30
(Homo
sapiens)
4 / 4ARG s 325
GLY s 395
GLU s 321
SER s 357
None
1.41A20.86
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B
(Homo
sapiens)
4 / 4ARG A  67
GLY A 443
GLU A 441
SER A  26
None
1.34A21.81
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
4dag FUSION GLYCOPROTEIN
F0
NEUTRALIZING
ANTIBODY DS7 HEAVY
CHAIN
(Homo
sapiens;
Human
metapneumovirus)
4 / 4ARG H 101
GLY H 104
GLU A  33
SER H  31
None
1.31A15.37
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5ao5 C-TYPE MANNOSE
RECEPTOR 2
(Homo
sapiens)
4 / 4ARG A 490
GLY A 486
GLU A 488
SER A 494
None
1.43A21.07
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5c65 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 3
(Homo
sapiens)
4 / 4ARG A 248
GLY A 396
GLU A 252
SER A 208
None
1.11A20.58
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5jpn COMPLEMENT C4-A
(Homo
sapiens)
4 / 4ARG B 831
GLY B 924
GLU B 832
SER B 928
None
1.27A22.02
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.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)
5wog HEMOGLOBIN SUBUNIT
ALPHA
(Homo
sapiens)
4 / 4ARG A  31
GLY A  25
GLU A  27
SER A 133
None
1.16A9.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BVV_A_CPFA1081_1
(APOLIPOPROTEIN(A))
2hpq PROTHROMBIN
(Homo
sapiens)
5 / 9ASP P 354
ASP P 356
TRP P 361
TYR P 363
PHE P 371
None
0.82A40.96
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.
4BVV_A_CPFA1081_1
(APOLIPOPROTEIN(A))
3e6p PROTHROMBIN
(Homo
sapiens)
5 / 9ASP L 223
ASP L 225
TRP L 230
TYR L 232
PHE L 240
None
0.53A25.53
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.
4BVV_A_CPFA1081_1
(APOLIPOPROTEIN(A))
3k65 PROTHROMBIN
(Homo
sapiens)
5 / 9ASP A 223
ASP A 225
TRP A 230
TYR A 232
PHE A 240
None
0.49A28.33
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.
4BVV_A_CPFA1081_1
(APOLIPOPROTEIN(A))
3nxp PRETHROMBIN-1
(Homo
sapiens)
5 / 9ASP A 223
ASP A 225
TRP A 230
TYR A 232
PHE A 240
None
None
None
None
GOL  A 704 (-3.8A)
0.62A12.57
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.
4BVV_A_CPFA1081_1
(APOLIPOPROTEIN(A))
4duu PLASMINOGEN
(Homo
sapiens)
6 / 9HIS A 494
ASP A 516
ASP A 518
TRP A 523
TYR A 525
LEU A 532
None
0.73A26.32
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.
4BVV_A_CPFA1081_1
(APOLIPOPROTEIN(A))
4duu PLASMINOGEN
(Homo
sapiens)
6 / 9HIS A 494
SER A 495
ASP A 518
TRP A 523
TYR A 525
LEU A 532
None
0.92A26.32
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.
4BVV_A_CPFA1081_1
(APOLIPOPROTEIN(A))
4eto PROTEIN S100-A4
(Homo
sapiens)
5 / 9SER A  14
THR A  15
TYR A  75
LEU A  79
PHE A  78
None
1.11A19.05
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.
4BVV_A_CPFA1081_1
(APOLIPOPROTEIN(A))
4hzh PROTHROMBIN
(Homo
sapiens)
5 / 9ASP A 223
ASP A 225
TRP A 230
TYR A 232
PHE A 240
None
0.77A12.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4BVV_A_CPFA1081_1
(APOLIPOPROTEIN(A))
5hpg PLASMINOGEN
(Homo
sapiens)
6 / 9HIS A  33
SER A  34
ASP A  57
TRP A  62
TYR A  64
LEU A  71
None
0.68A82.72
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens)
4 / 6SER A 431
GLY A 471
THR A 246
GLU A 269
None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
0.94A22.97
19.76
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
2n82 RNA BINDING PROTEIN
FOX-1 HOMOLOG 1
(Homo
sapiens)
4 / 6SER B 122
ARG B 153
GLY B 154
GLU B 152
A  A  31 ( 3.0A)
C  A  30 ( 3.6A)
U  A  26 ( 3.1A)
U  A  27 ( 3.1A)
1.01A12.13
17.39
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 6SER A 910
ARG A 675
THR A 568
GLU A 605
None
1.04A22.34
17.58
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B
(Homo
sapiens)
5 / 6SER A  26
ARG A  67
GLY A 443
THR A 430
GLU A 441
None
1.47A22.90
20.64
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
4zel DOPAMINE
BETA-HYDROXYLASE
(Homo
sapiens)
4 / 6ARG A 194
GLY A 417
THR A 477
GLU A 486
None
1.08A22.04
17.54
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
5hvf CARBOXYPEPTIDASE B2
(Homo
sapiens)
4 / 6ARG A 235
ARG A 302
GLY A 336
GLU A 338
FLC  A 509 (-2.8A)
None
None
None
0.94A20.35
19.55
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
5jzv ADENYLATE KINASE
ISOENZYME 6
(Homo
sapiens)
4 / 6SER A 135
ARG A  96
GLY A  10
GLU A 123
None
1.09A18.30
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
5nst HEAVY CHAIN OF
ANTIBODY MGD21
(Homo
sapiens)
4 / 6ARG B 134
GLY B 135
THR B 161
GLU B 165
GOL  B 402 (-3.4A)
None
None
None
0.85A20.98
20.83
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR
(Homo
sapiens)
4 / 6SER A1711
ARG A2533
GLY A2530
GLU A2529
None
0.97A11.76
16.06
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
1ef7 CATHEPSIN X
(Homo
sapiens)
4 / 6SER A 183
ARG A 138
GLY A 137
GLU A 139
None
0.91A20.59
21.68
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1
(Homo
sapiens)
4 / 6SER A 431
GLY A 471
THR A 246
GLU A 269
None
None
NAI  A1501 (-4.2A)
NAI  A1501 (-4.0A)
0.95A22.97
19.76
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
3bg9 PYRUVATE
CARBOXYLASE,
MITOCHONDRIAL
(Homo
sapiens)
4 / 6SER A 910
ARG A 675
THR A 568
GLU A 605
None
1.09A22.34
17.58
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
3zyx AMINE OXIDASE
[FLAVIN-CONTAINING]
B
(Homo
sapiens)
5 / 6SER A  26
ARG A  67
GLY A 443
THR A 430
GLU A 441
None
1.49A22.90
20.64
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
4zel DOPAMINE
BETA-HYDROXYLASE
(Homo
sapiens)
4 / 6GLY A 417
THR A 477
GLU A 486
ARG A 194
None
1.10A22.04
17.54
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
5hvf CARBOXYPEPTIDASE B2
(Homo
sapiens)
4 / 6ARG A 302
GLY A 336
GLU A 338
ARG A 235
None
None
None
FLC  A 509 (-2.8A)
0.91A20.35
19.55
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
5nst HEAVY CHAIN OF
ANTIBODY MGD21
(Homo
sapiens)
4 / 6ARG B 134
GLY B 135
THR B 161
GLU B 165
GOL  B 402 (-3.4A)
None
None
None
0.86A20.98
20.83
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.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)
5yz0 SERINE/THREONINE-PRO
TEIN KINASE ATR
(Homo
sapiens)
4 / 6SER A1711
ARG A2533
GLY A2530
GLU A2529
None
1.00A11.76
16.06