SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3opy'

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.
1FB7_A_ROCA100_1
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.83A 1fb7A-3opyA:
undetectable		 1fb7A-3opyA:
8.54
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.
1FK6_A_LNLA1201_1
(NON-SPECIFIC LIPID
TRANSFER PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 VAL A 619
LEU A 622
ASN A 623
ALA A 626
ALA A 420
 None
 0.68A 1fk6A-3opyA:
undetectable		 1fk6A-3opyA:
7.02
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.
1HSG_B_MK1B902_2
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.87A 1hsgB-3opyA:
undetectable		 1hsgB-3opyA:
8.35
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.
1HSH_A_MK1A401_1
(HIV-II PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
ILE A 380
ILE A 457
 None
 0.83A 1hshA-3opyA:
undetectable		 1hshA-3opyA:
7.77
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.
1HSH_C_MK1C402_1
(HIV-II PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
ILE A 380
ILE A 457
 None
 0.87A 1hshC-3opyA:
undetectable		 1hshC-3opyA:
7.77
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.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 ILE A 557
GLY A 408
ALA A 565
LEU A 410
VAL A 402
 None
 1.19A 1i9gA-3opyA:
undetectable		 1i9gA-3opyA:
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.
1IBG_H_OBNH1_2
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN)
IGG2B-KAPPA 40-50
FAB (LIGHT CHAIN))		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 7 SER A 597
HIS A 629
SER A 624
TYR A 586
 None
 0.70A 1ibgL-3opyA:
undetectable		 1ibgL-3opyA:
14.33
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.
1KIA_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 ILE B 530
GLY B 380
ASP B 335
ALA B 386
LEU B 464
 None
 1.08A 1kiaC-3opyB:
undetectable		 1kiaC-3opyB:
14.83
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.
1KIF_A_BEZA349_0
(D-AMINO ACID OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 TYR I 292
TYR I 332
ILE I 346
GLY I 326
 None
 1.33A 1kifA-3opyI:
2.2		 1kifA-3opyI:
21.88
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.
1KIF_B_BEZB349_0
(D-AMINO ACID OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 TYR I 292
TYR I 332
ILE I 346
GLY I 326
 None
 1.33A 1kifB-3opyI:
2.2		 1kifB-3opyI:
21.88
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.
1KIF_C_BEZC349_0
(D-AMINO ACID OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 TYR I 292
TYR I 332
ILE I 346
GLY I 326
 None
 1.33A 1kifC-3opyI:
2.2		 1kifC-3opyI:
21.88
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.
1KIF_D_BEZD349_0
(D-AMINO ACID OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 TYR I 292
TYR I 332
ILE I 346
GLY I 326
 None
 1.33A 1kifD-3opyI:
2.2		 1kifD-3opyI:
21.88
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.
1KIF_E_BEZE349_0
(D-AMINO ACID OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 TYR I 292
TYR I 332
ILE I 346
GLY I 326
 None
 1.33A 1kifE-3opyI:
2.2		 1kifE-3opyI:
21.88
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.
1KIF_F_BEZF349_0
(D-AMINO ACID OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 TYR I 292
TYR I 332
ILE I 346
GLY I 326
 None
 1.33A 1kifF-3opyI:
2.2		 1kifF-3opyI:
21.88
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.
1KIF_G_BEZG349_0
(D-AMINO ACID OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 TYR I 292
TYR I 332
ILE I 346
GLY I 326
 None
 1.33A 1kifG-3opyI:
2.2		 1kifG-3opyI:
21.88
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.
1KIF_H_BEZH349_0
(D-AMINO ACID OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 TYR I 292
TYR I 332
ILE I 346
GLY I 326
 None
 1.33A 1kifH-3opyI:
2.2		 1kifH-3opyI:
21.88
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.
1KT4_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 LEU A 779
ALA A 789
ALA A 783
VAL A 728
GLN A 772
 None
 1.22A 1kt4A-3opyA:
undetectable		 1kt4A-3opyA:
10.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1L7F_A_BCZA801_1
(NEURAMINIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG B 800
ARG B 828
ARG B 241
 None
 0.91A 1l7fA-3opyB:
undetectable		 1l7fA-3opyB:
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.
1L7H_A_BCZA801_1
(NEURAMINIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG B 800
ARG B 828
ARG B 241
 None
 0.92A 1l7hA-3opyB:
undetectable		 1l7hA-3opyB:
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.
1M8E_B_H4BB903_1
(INDUCIBLE NITRIC
OXIDE SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG A 230
ILE A 237
TRP A 265
 SO4  A 996 (-4.3A)
None
None
 1.17A 1m8eB-3opyA:
undetectable		 1m8eB-3opyA:
18.08
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.
1MUI_B_AB1B100_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		6 / 12 GLY A 419
ALA A 420
ASP A 421
ILE A 387
VAL A 402
ILE A 457
 None
 1.12A 1muiB-3opyA:
undetectable		 1muiB-3opyA:
8.35
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.
1N5X_A_TEIA3006_1
(XANTHINE
DEHYDROGENASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 LEU B 666
LEU B 681
SER B 677
VAL B 579
ALA B 649
 None
 1.13A 1n5xA-3opyB:
0.3		 1n5xA-3opyB:
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.
1N5X_B_TEIB4006_1
(XANTHINE
DEHYDROGENASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 LEU B 666
LEU B 681
SER B 677
VAL B 579
ALA B 649
 None
 1.13A 1n5xB-3opyB:
0.3		 1n5xB-3opyB:
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.
1NOD_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG A 230
ILE A 237
TRP A 265
 SO4  A 996 (-4.3A)
None
None
 1.05A 1nodB-3opyA:
undetectable		 1nodB-3opyA:
17.70
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.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.81A 1ohrA-3opyA:
undetectable		 1ohrA-3opyA:
8.35
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.
1QOM_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG A 230
ILE A 237
TRP A 265
 SO4  A 996 (-4.3A)
None
None
 1.09A 1qomA-3opyA:
undetectable		 1qomA-3opyA:
17.80
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.
1R30_A_SAMA501_0
(BIOTIN SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 TYR I 278
ASN I 127
ASN I 248
LEU I 276
LEU I 124
 None
 1.09A 1r30A-3opyI:
undetectable		 1r30A-3opyI:
21.46
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.
1R30_B_SAMB501_0
(BIOTIN SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 TYR I 278
ASN I 127
ASN I 248
LEU I 276
LEU I 124
 None
 1.09A 1r30B-3opyI:
undetectable		 1r30B-3opyI:
21.46
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.
1RL8_A_RITA9001_2
(PROTEASE RETROPEPSIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 LEU A 724
GLY A 697
PRO A 615
ALA A 616
ILE A 695
 None
 0.79A 1rl8B-3opyA:
undetectable		 1rl8B-3opyA:
8.13
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.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.73A 1sdtB-3opyA:
undetectable		 1sdtB-3opyA:
7.82
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.
1SDU_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.89A 1sduB-3opyA:
undetectable		 1sduB-3opyA:
7.72
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.
1SQF_A_SAMA430_0
(SUN PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 CYH A 501
ALA A 499
GLY A 498
GLY A 497
ILE A 786
 None
 1.02A 1sqfA-3opyA:
undetectable		 1sqfA-3opyA:
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.
1SQF_A_SAMA430_1
(SUN PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 PRO A 949
ASP A 708
ASP A 931
 None
 0.79A 1sqfA-3opyA:
undetectable		 1sqfA-3opyA:
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.
1U70_A_MTXA187_2
(DIHYDROFOLATE
REDUCTASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 4 SER B 443
ILE B 442
VAL B 450
THR B 426
 None
 1.18A 1u70A-3opyB:
undetectable		 1u70A-3opyB:
11.79
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.
1VE9_A_BEZA352_0
(D-AMINO ACID OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 TYR I 292
TYR I 332
ILE I 346
GLY I 326
 None
 1.30A 1ve9A-3opyI:
2.3		 1ve9A-3opyI:
21.88
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.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 GLY A 750
ASP A 753
ASN A 746
 None
 0.59A 1vq1A-3opyA:
undetectable		 1vq1A-3opyA:
16.03
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.
1WRL_D_TFPD207_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		5 / 8 LEU I 242
PHE I  58
PHE I 103
MET I 107
SER I 109
 None
 1.50A 1wrlC-3opyI:
undetectable
1wrlD-3opyI:
undetectable		 1wrlC-3opyI:
14.25
1wrlD-3opyI:
14.25
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.
1XOQ_A_ROFA502_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		3 / 3 ASN A 614
TRP A 658
GLN B 731
 None
 1.40A 1xoqA-3opyA:
undetectable		 1xoqA-3opyA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A8T_B_ADNB252_1
(U8 SNORNA-BINDING
PROTEIN X29)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 8 GLY B 344
THR A 390
ILE B 332
SER B 193
 None
 0.94A 2a8tB-3opyB:
undetectable		 2a8tB-3opyB:
12.31
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.
2AOF_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 LEU A 724
PRO A 615
ALA A 616
ILE A 695
 None
 0.98A 2aofB-3opyA:
undetectable		 2aofB-3opyA:
7.82
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 10 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.78A 2aquA-3opyA:
undetectable		 2aquA-3opyA:
8.35
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.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		6 / 11 GLY A 419
ALA A 420
ASP A 421
ILE A 387
VAL A 402
ILE A 457
 None
 1.08A 2aquB-3opyA:
undetectable		 2aquB-3opyA:
8.35
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.
2AVO_B_MK1B902_2
(POL POLYPROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.79A 2avoB-3opyA:
undetectable		 2avoB-3opyA:
7.41
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.
2AVV_A_MK1A901_3
(POL POLYPROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		6 / 12 GLY A 419
ALA A 420
ASP A 421
ILE A 387
VAL A 402
ILE A 457
 None
 1.05A 2avvB-3opyA:
undetectable		 2avvB-3opyA:
7.82
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.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.85A 2avvE-3opyA:
undetectable		 2avvE-3opyA:
7.82
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.
2B25_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 358
SER A 359
GLY A 372
VAL A 310
ILE A 215
 None
SO4  A 991 (-3.4A)
None
None
None
 1.07A 2b25B-3opyA:
undetectable		 2b25B-3opyA:
16.12
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.
2BFP_B_H4BB1290_1
(PTERIDINE REDUCTASE
1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 8 ARG I 300
PHE I 289
LEU I 245
LEU I 269
 None
 1.00A 2bfpB-3opyI:
2.6		 2bfpB-3opyI:
20.05
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.
2CDQ_A_SAMA1500_0
(ASPARTOKINASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 8 ILE A 533
SER A 532
SER A 359
LEU A 507
 None
None
SO4  A 991 (-3.4A)
None
 0.96A 2cdqA-3opyA:
undetectable		 2cdqA-3opyA:
21.45
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.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 6 ASP A 675
THR A 702
GLU A 706
GLU A 699
 None
None
None
SO4  A 998 ( 4.7A)
 1.26A 2dttB-3opyA:
undetectable
2dttC-3opyA:
undetectable		 2dttB-3opyA:
8.46
2dttC-3opyA:
8.46
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.
2DU8_G_BEZG2352_0
(D-AMINO-ACID OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 TYR I 292
TYR I 332
ILE I 346
GLY I 326
 None
 1.36A 2du8G-3opyI:
2.2		 2du8G-3opyI:
21.92
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.
2F78_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		4 / 7 SER A 472
ARG A 490
LEU A 491
THR B 463
 SO4  A1000 (-2.8A)
SO4  A1000 (-3.9A)
None
None
 1.06A 2f78A-3opyA:
undetectable		 2f78A-3opyA:
12.69
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.
2F80_B_017B301_1
(POL POLYPROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.77A 2f80A-3opyA:
undetectable		 2f80A-3opyA:
7.82
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.
2F80_B_017B301_2
(POL POLYPROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.88A 2f80B-3opyA:
undetectable		 2f80B-3opyA:
7.82
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.
2F81_A_017A302_1
(POL POLYPROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.82A 2f81A-3opyA:
undetectable		 2f81A-3opyA:
7.72
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.
2F8G_B_017B401_1
(POL POLYPROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.78A 2f8gA-3opyA:
undetectable		 2f8gA-3opyA:
7.82
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.
2FXE_A_DR7A102_2
(POL PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.90A 2fxeB-3opyA:
undetectable		 2fxeB-3opyA:
7.00
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.
2HS1_B_017B203_1
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 7 GLU B 930
TRP I 328
PRO I 297
ARG I 301
 None
 1.13A 2hs1B-3opyB:
undetectable		 2hs1B-3opyB:
8.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HS2_A_017A201_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.85A 2hs2A-3opyA:
undetectable		 2hs2A-3opyA:
7.92
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.
2HS2_A_017A201_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.77A 2hs2B-3opyA:
undetectable		 2hs2B-3opyA:
7.92
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.
2HTU_A_BCZA801_0
(NEURAMINIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 12 SER B 936
ILE B 765
ARG B 938
ARG I 327
TYR I 349
 None
 1.30A 2htuA-3opyB:
undetectable		 2htuA-3opyB:
17.73
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.
2NMZ_B_ROCB401_3
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 LEU A 724
GLY A 697
PRO A 615
ALA A 616
ILE A 695
 None
 0.86A 2nmzB-3opyA:
undetectable		 2nmzB-3opyA:
7.82
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.
2NOD_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG A 230
ILE A 237
TRP A 265
 SO4  A 996 (-4.3A)
None
None
 1.04A 2nodB-3opyA:
undetectable		 2nodB-3opyA:
17.70
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.
2O4K_A_DR7A301_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.87A 2o4kB-3opyA:
undetectable		 2o4kB-3opyA:
8.35
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.
2O4L_A_TPVA403_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.82A 2o4lB-3opyA:
undetectable		 2o4lB-3opyA:
8.35
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.
2O4S_A_AB1A400_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.87A 2o4sA-3opyA:
undetectable		 2o4sA-3opyA:
8.35
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.
2O4S_A_AB1A400_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.87A 2o4sB-3opyA:
undetectable		 2o4sB-3opyA:
8.35
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.
2OKC_A_SAMA500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 ILE B 702
GLY B 751
GLY B 747
VAL B 768
ASN B 704
 None
 1.11A 2okcA-3opyB:
undetectable		 2okcA-3opyB:
19.06
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.
2OKC_B_SAMB500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 ILE B 702
GLY B 751
GLY B 747
VAL B 768
ASN B 704
 None
 1.10A 2okcB-3opyB:
undetectable		 2okcB-3opyB:
19.06
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.
2OTF_A_2TNA201_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 ILE A 380
SER A 414
GLY A 415
HIS A 659
 None
None
None
SO4  A1001 (-4.1A)
 0.90A 2otfA-3opyA:
undetectable		 2otfA-3opyA:
8.64
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.
2PNC_A_CLUA808_1
(COPPER AMINE
OXIDASE, LIVER
ISOZYME)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 7 TYR B 752
TYR B 711
ASP B 509
TYR B 480
 None
 1.46A 2pncA-3opyB:
undetectable		 2pncA-3opyB:
21.30
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.
2PRG_B_BRLB2_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 TYR I 122
LEU I 124
VAL I 138
LEU I  71
LEU I 276
 None
 1.47A 2prgB-3opyI:
undetectable		 2prgB-3opyI:
22.57
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.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.82A 2qhcB-3opyA:
undetectable		 2qhcB-3opyA:
7.67
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.
2QHF_A_ACTA502_0
(CHORISMATE SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 GLY A 165
ASP A 166
SER A 159
 None
 0.75A 2qhfA-3opyA:
undetectable		 2qhfA-3opyA:
18.83
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.
2QHF_A_ACTA502_0
(CHORISMATE SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 GLY B 584
ASP B 849
SER B 588
 None
 0.56A 2qhfA-3opyB:
undetectable		 2qhfA-3opyB:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2R5P_B_MK1B902_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.82A 2r5pB-3opyA:
undetectable		 2r5pB-3opyA:
9.03
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.
2R5P_D_MK1D902_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		6 / 12 GLY A 419
ALA A 420
ASP A 421
ILE A 387
VAL A 402
ILE A 457
 None
 1.08A 2r5pD-3opyA:
undetectable		 2r5pD-3opyA:
9.03
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.
2R5Q_B_1UNB900_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.84A 2r5qB-3opyA:
undetectable		 2r5qB-3opyA:
9.03
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.
2RKF_A_AB1A501_2
(PROTEASE RETROPEPSIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 LEU A 724
GLY A 697
PRO A 615
ALA A 616
ILE A 695
 None
 0.87A 2rkfB-3opyA:
undetectable		 2rkfB-3opyA:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_D_KLND1498_1
(CYTOCHROME P450 3A4)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 SER B 347
ALA B 481
THR B 482
GLU B 724
LEU B 244
 None
 1.35A 2v0mD-3opyB:
undetectable		 2v0mD-3opyB:
18.97
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.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 825
SER A 760
ALA A 759
SER A 749
GLY A 750
 None
 0.82A 2vmyA-3opyA:
undetectable		 2vmyA-3opyA:
17.86
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.
2XKW_B_P1BB1475_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 6 LEU B 759
ILE B 931
ILE I 296
LEU I 350
 None
 0.96A 2xkwB-3opyB:
undetectable		 2xkwB-3opyB:
16.04
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.
2YLG_A_ASCA130_0
(CYTOCHROME C')		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 ALA B 206
GLY B 211
CYH B 212
LYS B 213
 None
 1.41A 2ylgA-3opyB:
undetectable		 2ylgA-3opyB:
9.56
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.
2Z54_A_AB1A200_1
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.79A 2z54A-3opyA:
undetectable		 2z54A-3opyA:
8.35
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.
2Z54_A_AB1A200_2
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		6 / 12 GLY A 419
ALA A 420
ASP A 421
ILE A 387
VAL A 402
ILE A 457
 None
 1.07A 2z54B-3opyA:
undetectable		 2z54B-3opyA:
8.35
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ASP I 106
PHE I 103
LEU I  99
 None
 0.61A 2zi9A-3opyI:
undetectable		 2zi9A-3opyI:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CV9_A_VDXA501_1
(CYTOCHROME P450-SU1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 9 SER A 935
ARG A 711
ILE A 716
ILE A 642
GLY A 637
 None
 0.94A 3cv9A-3opyA:
undetectable		 3cv9A-3opyA:
19.15
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.
3CYW_A_017A201_2
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.86A 3cywB-3opyA:
undetectable		 3cywB-3opyA:
7.92
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.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 LEU A 491
GLU A 382
ILE A 381
 None
 0.57A 3czhA-3opyA:
undetectable		 3czhA-3opyA:
19.08
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.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.82A 3d1xA-3opyA:
undetectable		 3d1xA-3opyA:
7.72
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.
3D1Y_A_ROCA201_1
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.88A 3d1yA-3opyA:
undetectable		 3d1yA-3opyA:
7.82
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.
3E6T_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG A 230
ILE A 237
TRP A 265
 SO4  A 996 (-4.3A)
None
None
 1.17A 3e6tB-3opyA:
undetectable		 3e6tB-3opyA:
17.90
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.
3E7I_B_H4BB2902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG A 230
ILE A 237
TRP A 265
 SO4  A 996 (-4.3A)
None
None
 1.09A 3e7iB-3opyA:
undetectable		 3e7iB-3opyA:
17.90
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.
3EKY_A_DR7A100_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 10 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.80A 3ekyA-3opyA:
undetectable		 3ekyA-3opyA:
7.45
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.
3EL1_A_DR7A100_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.80A 3el1A-3opyA:
undetectable		 3el1A-3opyA:
7.79
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.
3EL1_A_DR7A100_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.82A 3el1B-3opyA:
undetectable		 3el1B-3opyA:
7.79
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.
3EL4_A_ROCA100_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 9 ALA A 420
VAL A 400
ILE A 380
GLY A 411
ILE A 425
 None
 1.24A 3el4B-3opyA:
undetectable		 3el4B-3opyA:
7.79
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.
3EM0_A_CHDA153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 THR I  26
PHE I  23
PHE I 137
TYR I 140
 None
 1.25A 3em0A-3opyI:
undetectable		 3em0A-3opyI:
18.02
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.
3EM4_A_DR7A100_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.76A 3em4A-3opyA:
undetectable		 3em4A-3opyA:
7.56
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.
3EM4_V_DR7V100_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.75A 3em4U-3opyA:
undetectable		 3em4U-3opyA:
7.56
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.
3FRQ_A_ERYA195_0
(REPRESSOR PROTEIN
MPHR(A))		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 LYS B 899
LEU B 483
SER B 712
VAL B 928
ILE B 479
 None
 1.26A 3frqA-3opyB:
undetectable		 3frqA-3opyB:
11.69
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.
3GCZ_A_SAMA4633_0
(POLYPROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 SER A 316
GLY A 312
GLY A 280
GLY A 249
GLY A 219
 SO4  A 990 (-2.7A)
SO4  A 990 ( 4.8A)
None
None
SO4  A 990 (-3.4A)
 0.90A 3gczA-3opyA:
undetectable		 3gczA-3opyA:
13.33
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.
3GSS_A_EAAA212_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 7 ILE A 216
TYR A 250
THR A 251
GLY A 319
 None
 0.96A 3gssA-3opyA:
undetectable		 3gssA-3opyA:
11.73
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.
3GSS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 7 ILE A 216
TYR A 250
THR A 251
GLY A 319
 None
 0.87A 3gssB-3opyA:
undetectable		 3gssB-3opyA:
11.73
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.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 9 VAL A 494
ILE B 844
THR B 390
SER B 633
ILE B 359
 None
 1.41A 3hbbB-3opyA:
undetectable		 3hbbB-3opyA:
19.64
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.
3HEG_A_BAXA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 6 VAL B 742
ILE B 773
ILE B 802
LEU B 803
 None
 0.79A 3hegA-3opyB:
undetectable		 3hegA-3opyB:
16.45
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.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 4 ILE A 380
ARG A 618
ILE A 381
THR A 489
 None
SO4  A1001 (-3.7A)
None
None
 1.21A 3ia4C-3opyA:
undetectable		 3ia4C-3opyA:
11.21
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.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.83A 3jw2A-3opyA:
undetectable		 3jw2A-3opyA:
7.82
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.
3JW3_A_TOPA208_1
(DIHYDROFOLATE
REDUCTASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 10 ALA B 754
ILE B 817
LEU B 778
ILE B 802
THR B 755
 None
 0.93A 3jw3A-3opyB:
undetectable		 3jw3A-3opyB:
9.65
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG A 618
THR A 668
THR A 743
 SO4  A1001 (-3.7A)
None
None
 0.69A 3k2hB-3opyA:
undetectable		 3k2hB-3opyA:
19.49
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY B 670
GLY B 580
LEU B 668
PHE B 675
ALA B 700
 None
 1.03A 3kkzA-3opyB:
undetectable		 3kkzA-3opyB:
14.88
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.
3LD6_B_KKKB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 PHE A 503
GLY A 461
ALA A 459
ILE A 380
MET A 413
 None
 1.49A 3ld6B-3opyA:
undetectable		 3ld6B-3opyA:
18.29
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.
3LSL_G_PZIG801_0
(GLUTAMATE RECEPTOR 2)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 PRO A 615
SER A 611
ASN A 660
 None
 0.77A 3lslG-3opyA:
undetectable		 3lslG-3opyA:
14.26
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.
3NDT_A_ROCA101_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.84A 3ndtA-3opyA:
undetectable		 3ndtA-3opyA:
7.69
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.
3NDW_A_RITA100_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.80A 3ndwA-3opyA:
undetectable		 3ndwA-3opyA:
7.82
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.
3NDX_A_RITA100_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.79A 3ndxA-3opyA:
undetectable		 3ndxA-3opyA:
7.82
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.
3NDX_A_RITA100_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.80A 3ndxB-3opyA:
undetectable		 3ndxB-3opyA:
7.82
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.
3NU6_B_478B401_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 10 GLY A 419
ALA A 420
ILE A 387
VAL A 402
ILE A 457
 None
 0.94A 3nu6B-3opyA:
undetectable		 3nu6B-3opyA:
7.72
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.
3NU6_B_478B401_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 10 GLY A 512
ALA A 231
VAL A 268
GLY A 236
ILE A 213
 None
 1.07A 3nu6B-3opyA:
undetectable		 3nu6B-3opyA:
7.72
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.
3NU9_A_478A401_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 10 GLY A 512
ALA A 231
VAL A 268
GLY A 236
ILE A 213
 None
 1.14A 3nu9B-3opyA:
undetectable		 3nu9B-3opyA:
7.72
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.
3NW2_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG A 230
ILE A 237
TRP A 265
 SO4  A 996 (-4.3A)
None
None
 1.03A 3nw2A-3opyA:
undetectable		 3nw2A-3opyA:
17.70
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.
3NW2_B_H4BB902_1
(NITRIC OXIDE
SYNTHASE, INDUCIBLE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG A 230
ILE A 237
TRP A 265
 SO4  A 996 (-4.3A)
None
None
 1.01A 3nw2B-3opyA:
undetectable		 3nw2B-3opyA:
17.70
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.
3OXX_C_DR7C100_1
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.83A 3oxxC-3opyA:
undetectable		 3oxxC-3opyA:
7.45
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.
3P97_C_SAMC263_0
(NON-STRUCTURAL
PROTEIN 5)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY B 383
GLY B 433
GLY B 380
GLU B 432
ILE B 442
 None
 0.84A 3p97C-3opyB:
undetectable		 3p97C-3opyB:
14.36
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.
3PWM_B_017B402_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.81A 3pwmB-3opyA:
undetectable		 3pwmB-3opyA:
7.92
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.
3PWM_B_017B402_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ILE A 387
VAL A 402
ILE A 457
 None
 0.97A 3pwmB-3opyA:
undetectable		 3pwmB-3opyA:
7.92
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 7 VAL B 928
LEU B 483
TYR B 480
PHE B 924
 None
 1.00A 3qeoB-3opyB:
undetectable		 3qeoB-3opyB:
14.76
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.
3QGZ_A_ADNA127_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 10 ILE A 457
ILE A 380
ASP A 388
ILE A 387
HIS A 659
 None
None
None
None
SO4  A1001 (-4.1A)
 1.29A 3qgzA-3opyA:
undetectable		 3qgzA-3opyA:
9.22
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 8 GLY A 408
TYR A 577
GLN A 571
GLU A 572
 None
 1.00A 3s3mA-3opyA:
undetectable		 3s3mA-3opyA:
17.59
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.
3S3N_A_DLUA398_1
(PFV INTEGRASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 8 GLY A 408
TYR A 577
GLN A 571
GLU A 572
 None
 1.02A 3s3nA-3opyA:
undetectable		 3s3nA-3opyA:
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.
3SI7_A_ACTA5_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		3 / 3 LYS B 660
SER A  87
GLN A  85
 None
 1.27A 3si7A-3opyB:
undetectable		 3si7A-3opyB:
14.18
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.
3SUD_A_SUEA1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 4 PHE A 828
TYR A 815
ILE A 786
LEU A 785
 None
 1.49A 3sudA-3opyA:
undetectable		 3sudA-3opyA:
11.18
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.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY B 287
GLY B 284
ARG B 294
GLN B 524
GLU B 298
 None
 1.30A 3tkaA-3opyB:
undetectable		 3tkaA-3opyB:
17.07
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.
3TKW_B_017B401_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.90A 3tkwA-3opyA:
undetectable		 3tkwA-3opyA:
8.03
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.
3TL9_A_ROCA401_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.86A 3tl9A-3opyA:
undetectable		 3tl9A-3opyA:
8.03
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.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 8 PHE I  91
VAL I 138
ILE I 142
ILE I  38
 None
 0.90A 3uqbA-3opyI:
undetectable		 3uqbA-3opyI:
20.00
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.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 ARG A 379
HIS A 493
GLY A 492
ALA A 373
GLY A 372
 None
SO4  B 943 (-4.2A)
None
None
None
 1.29A 3v3oB-3opyA:
undetectable		 3v3oB-3opyA:
17.76
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.
3V3O_B_T1CB405_1
(TETX2 PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 ARG B 351
HIS B 466
GLY B 465
ALA B 345
GLY B 344
 None
SO4  A 999 (-3.6A)
None
None
None
 1.31A 3v3oB-3opyB:
2.6		 3v3oB-3opyB:
17.27
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_ACTE502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 LYS A 756
ARG A 234
LEU A 272
 SO4  A 996 (-3.0A)
SO4  A 996 (-3.5A)
None
 0.89A 3v4tE-3opyA:
undetectable		 3v4tE-3opyA:
19.26
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.
3V4T_E_ACTE502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 LYS B 730
ARG B 205
LEU B 244
 SO4  B 944 (-2.8A)
SO4  B 944 (-2.7A)
None
 0.70A 3v4tE-3opyB:
undetectable		 3v4tE-3opyB:
20.53
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ASN B 197
TRP B 243
ASP B 192
 None
 1.22A 4a7tA-3opyB:
undetectable
4a7tF-3opyB:
undetectable		 4a7tA-3opyB:
11.94
4a7tF-3opyB:
11.94
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.
4A97_C_ZPCC1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 VAL A 309
ILE A 215
GLU A 521
ILE A 538
VAL A 243
 None
 1.34A 4a97B-3opyA:
undetectable
4a97C-3opyA:
undetectable		 4a97B-3opyA:
15.71
4a97C-3opyA:
15.71
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.
4A99_D_MIYD393_1
(TETX2 PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 ILE A 874
ILE A 940
TYR A 737
GLU A 736
 None
 1.24A 4a99D-3opyA:
4.2		 4a99D-3opyA:
17.94
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		4 / 6 HIS A 493
SER B 365
ASP A 314
ASP A 221
 SO4  B 943 (-4.2A)
None
SO4  A 991 (-4.7A)
None
 1.32A 4blvA-3opyA:
undetectable		 4blvA-3opyA:
14.43
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.
4CTJ_A_SAMA1263_0
(NON-STRUCTURAL
PROTEIN 5)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY B 383
GLY B 433
GLY B 380
GLU B 432
ILE B 442
 None
 0.83A 4ctjA-3opyB:
undetectable		 4ctjA-3opyB:
14.33
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.
4CTJ_C_SAMC1263_0
(NON-STRUCTURAL
PROTEIN 5)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 411
GLY A 461
GLY A 408
GLU A 460
ILE A 470
 None
 0.91A 4ctjC-3opyA:
undetectable		 4ctjC-3opyA:
15.10
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.
4CTJ_C_SAMC1263_0
(NON-STRUCTURAL
PROTEIN 5)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY B 383
GLY B 433
GLY B 380
GLU B 432
ILE B 442
 None
 0.84A 4ctjC-3opyB:
undetectable		 4ctjC-3opyB:
14.33
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.
4CTK_C_SAMC1263_0
(POLYPROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY B 383
GLY B 433
GLY B 380
GLU B 432
ILE B 442
 None
 0.84A 4ctkC-3opyB:
undetectable		 4ctkC-3opyB:
14.33
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 10 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.90A 4dqfB-3opyA:
undetectable		 4dqfB-3opyA:
6.89
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.
4EIL_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 11 VAL A 865
ALA B 834
PHE B 722
SER B 721
VAL B 728
 None
 1.42A 4eilA-3opyA:
2.1		 4eilA-3opyA:
19.40
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.
4EIL_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 10 VAL A 865
ALA B 834
PHE B 722
SER B 721
VAL B 728
 None
 1.40A 4eilB-3opyA:
undetectable		 4eilB-3opyA:
19.40
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.
4EIL_C_FOLC703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 11 VAL A 865
ALA B 834
PHE B 722
SER B 721
VAL B 728
 None
 1.42A 4eilC-3opyA:
undetectable		 4eilC-3opyA:
19.40
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.
4EIL_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 10 VAL A 865
ALA B 834
PHE B 722
SER B 721
VAL B 728
 None
 1.39A 4eilD-3opyA:
undetectable		 4eilD-3opyA:
19.40
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.
4EIL_E_FOLE703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 11 VAL A 865
ALA B 834
PHE B 722
SER B 721
VAL B 728
 None
 1.45A 4eilE-3opyA:
undetectable		 4eilE-3opyA:
19.40
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.
4HLA_A_017A200_1
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.91A 4hlaA-3opyA:
undetectable		 4hlaA-3opyA:
8.35
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.
4HLA_A_017A200_2
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.90A 4hlaB-3opyA:
undetectable		 4hlaB-3opyA:
8.35
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.
4IIL_A_RBFA401_2
(MEMBRANE LIPOPROTEIN
TPN38(B))		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 8 PRO B 707
VAL B 706
GLN B 680
ILE B 905
 None
 1.11A 4iilA-3opyB:
2.7		 4iilA-3opyB:
16.79
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.
4K7A_A_MXDA1002_1
(ANDROGEN RECEPTOR)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 GLU A 796
TRP A 970
LYS A 833
 None
None
SO4  A 998 ( 4.9A)
 1.08A 4k7aA-3opyA:
undetectable		 4k7aA-3opyA:
12.94
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.
4KYA_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 12 VAL A 865
ALA B 834
PHE B 722
SER B 721
VAL B 728
 None
 1.40A 4kyaB-3opyA:
undetectable		 4kyaB-3opyA:
19.40
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.
4KYA_D_FOLD703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 12 VAL A 865
ALA B 834
PHE B 722
SER B 721
VAL B 728
 None
 1.39A 4kyaD-3opyA:
undetectable		 4kyaD-3opyA:
19.40
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.
4KYA_F_FOLF703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 12 VAL A 865
ALA B 834
PHE B 722
SER B 721
VAL B 728
 None
 1.41A 4kyaF-3opyA:
undetectable		 4kyaF-3opyA:
19.40
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.
4KYA_H_FOLH703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 12 VAL A 865
ALA B 834
PHE B 722
SER B 721
VAL B 728
 None
 1.41A 4kyaH-3opyA:
undetectable		 4kyaH-3opyA:
19.40
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.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 6 VAL B 214
VAL B 186
ILE B 281
LEU B 493
 None
 0.94A 4l1wB-3opyB:
undetectable		 4l1wB-3opyB:
17.55
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.
4LVC_B_ADNB501_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE))		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 GLN I 279
THR I 281
LEU I  99
LEU I  95
 None
 1.12A 4lvcB-3opyI:
2.2		 4lvcB-3opyI:
20.61
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.
4MJW_A_ACTA603_0
(CHOLINE OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ARG B 600
HIS B 602
SER B 599
 None
 1.03A 4mjwA-3opyB:
undetectable
4mjwB-3opyB:
1.1		 4mjwA-3opyB:
20.88
4mjwB-3opyB:
20.88
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.
4MJW_B_ACTB603_0
(CHOLINE OXIDASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 SER B 599
ARG B 600
HIS B 602
 None
 1.01A 4mjwA-3opyB:
undetectable
4mjwB-3opyB:
1.1		 4mjwA-3opyB:
20.88
4mjwB-3opyB:
20.88
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.
4MM4_B_8PRB603_1
(TRANSPORTER)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 ALA B 473
VAL B 474
SER B 348
GLY B 344
THR A 390
 None
 1.29A 4mm4B-3opyB:
undetectable		 4mm4B-3opyB:
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.
4OLT_A_GCSA306_1
(CHITOSANASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 SER B 936
ASP B 933
GLN B 777
 None
 0.87A 4oltA-3opyB:
undetectable
4oltB-3opyB:
undetectable		 4oltA-3opyB:
13.87
4oltB-3opyB:
13.87
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.
4QWP_B_GCSB304_1
(CHITOSANASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 GLN B 777
SER B 936
ASP B 933
 None
 0.92A 4qwpA-3opyB:
undetectable
4qwpB-3opyB:
undetectable		 4qwpA-3opyB:
13.66
4qwpB-3opyB:
13.66
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.
4QWU_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 9 ALA A 228
ALA A 227
GLY A 312
GLY A 358
ASP A 504
 None
None
SO4  A 990 ( 4.8A)
None
None
 1.07A 4qwuK-3opyA:
undetectable
4qwuL-3opyA:
undetectable		 4qwuK-3opyA:
12.50
4qwuL-3opyA:
12.58
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.
4QWU_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 9 ALA A 228
ALA A 227
GLY A 312
GLY A 358
ASP A 504
 None
None
SO4  A 990 ( 4.8A)
None
None
 1.12A 4qwuY-3opyA:
undetectable
4qwuZ-3opyA:
undetectable		 4qwuY-3opyA:
12.50
4qwuZ-3opyA:
12.58
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.
4R82_A_ACTA207_0
(OXIDOREDUCTASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 4 GLU B 432
GLY B 433
HIS B 378
ARG B 377
 None
 1.48A 4r82A-3opyB:
undetectable
4r82B-3opyB:
undetectable		 4r82A-3opyB:
11.75
4r82B-3opyB:
11.75
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.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 TYR I 122
VAL I 275
LEU I  70
LEU I 111
LEU I 120
 None
 1.40A 4rtbA-3opyI:
undetectable		 4rtbA-3opyI:
22.38
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.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 498
ILE B 332
GLY B 465
THR A 489
LEU A 383
 None
 1.06A 4zdyA-3opyA:
undetectable		 4zdyA-3opyA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE2_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 498
ILE B 332
GLY B 465
THR A 489
LEU A 383
 None
 1.11A 4ze2A-3opyA:
undetectable		 4ze2A-3opyA:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EC8_C_SAMC4000_0
(GENOME POLYPROTEIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY B 383
GLY B 433
GLY B 380
GLU B 432
ILE B 442
 None
 0.85A 5ec8C-3opyB:
undetectable		 5ec8C-3opyB:
14.33
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.
5EHI_A_SAMA4001_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 411
GLY A 461
GLY A 408
GLU A 460
ILE A 470
 None
 0.90A 5ehiA-3opyA:
undetectable		 5ehiA-3opyA:
15.10
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.
5EHI_C_SAMC4000_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 411
GLY A 461
GLY A 408
GLU A 460
ILE A 470
 None
 0.92A 5ehiC-3opyA:
undetectable		 5ehiC-3opyA:
undetectable
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.
5EHI_C_SAMC4000_0
(NS5
METHYLTRANSFERASE
DENGUE VIRUS)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY B 383
GLY B 433
GLY B 380
GLU B 432
ILE B 442
 None
 0.84A 5ehiC-3opyB:
undetectable		 5ehiC-3opyB:
undetectable
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.
5EIW_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 411
GLY A 461
GLY A 408
GLU A 460
ILE A 470
 None
 0.94A 5eiwA-3opyA:
undetectable		 5eiwA-3opyA:
15.10
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.
5EIW_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY B 383
GLY B 433
GLY B 380
GLU B 432
ILE B 442
 None
 0.87A 5eiwA-3opyB:
undetectable		 5eiwA-3opyB:
14.33
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.
5EKX_A_SAMA301_0
(NS5
METHYLTRANSFERASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 SER A 316
GLY A 312
GLY A 280
GLY A 249
GLY A 219
 SO4  A 990 (-2.7A)
SO4  A 990 ( 4.8A)
None
None
SO4  A 990 (-3.4A)
 0.95A 5ekxA-3opyA:
undetectable		 5ekxA-3opyA:
undetectable
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.
5EKX_B_SAMB4000_0
(NS5
METHYLTRANSFERASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 411
GLY A 461
GLY A 408
GLU A 460
ILE A 470
 None
 0.89A 5ekxB-3opyA:
undetectable		 5ekxB-3opyA:
15.10
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.
5EKX_B_SAMB4000_0
(NS5
METHYLTRANSFERASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY B 383
GLY B 433
GLY B 380
GLU B 432
ILE B 442
 None
 0.81A 5ekxB-3opyB:
undetectable		 5ekxB-3opyB:
14.33
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.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 SER A 981
LEU A 984
ARG A 983
ILE A 799
TYR A 793
 None
 1.34A 5fepA-3opyA:
undetectable		 5fepA-3opyA:
16.34
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.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 SER A 981
LEU A 984
ARG A 983
ILE A 799
TYR A 793
 None
 1.38A 5fesA-3opyA:
undetectable		 5fesA-3opyA:
16.34
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.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 7 ILE B 844
GLY B 843
CYH B 353
ASP B 849
 None
 0.85A 5hieA-3opyB:
undetectable		 5hieA-3opyB:
16.10
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.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 7 ILE B 844
GLY B 843
CYH B 353
ASP B 849
 None
 0.85A 5hieB-3opyB:
undetectable		 5hieB-3opyB:
16.10
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.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 8 ILE B 844
GLY B 843
CYH B 353
ASP B 849
 None
 0.88A 5hieD-3opyB:
undetectable		 5hieD-3opyB:
16.10
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.
5HIK_A_SAMA301_0
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 12 ARG A 487
GLY B 191
GLY B 284
SER B 189
GLY B 376
 SO4  A 999 (-3.4A)
SO4  A 999 ( 4.7A)
None
None
None
 1.25A 5hikA-3opyA:
undetectable		 5hikA-3opyA:
14.27
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.
5ICX_E_SC2E1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 VAL B 450
GLN B 410
CYH B 412
 None
ATP  B 942 (-3.6A)
None
 0.71A 5icxA-3opyB:
undetectable
5icxE-3opyB:
undetectable		 5icxA-3opyB:
14.10
5icxE-3opyB:
2.27
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.
5J4N_A_AG2A501_1
(ARGININE/AGMATINE
ANTIPORTER)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 6 SER A 664
GLY A 607
ASN A 669
ILE A 695
 None
 1.11A 5j4nA-3opyA:
undetectable		 5j4nA-3opyA:
19.03
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.
5J4N_A_AG2A501_1
(ARGININE/AGMATINE
ANTIPORTER)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 6 SER A 664
GLY A 637
ASN A 636
ILE A 603
 None
None
SO4  A 992 ( 4.0A)
None
 1.16A 5j4nA-3opyA:
undetectable		 5j4nA-3opyA:
19.03
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.
5J4N_A_AG2A501_1
(ARGININE/AGMATINE
ANTIPORTER)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 6 SER B 637
GLY B 610
ASN B 609
ILE B 576
 None
 1.07A 5j4nA-3opyB:
undetectable		 5j4nA-3opyB:
17.70
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.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 TYR B 221
ALA B 328
GLY B 330
MET B 196
ALA B 488
 None
 1.32A 5jglB-3opyB:
undetectable		 5jglB-3opyB:
15.15
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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 SER I 109
ASP I 106
GLU I  39
TYR I 122
LEU I 120
 None
 1.24A 5jh7B-3opyI:
undetectable		 5jh7B-3opyI:
19.92
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.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLU A 382
GLY B 471
ALA B 475
VAL B 245
ASN B 720
 None
 1.21A 5kbwB-3opyA:
undetectable		 5kbwB-3opyA:
12.06
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.
5KKZ_A_ASCA1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 6 HIS A 864
VAL A 865
TYR A 751
GLN A 772
 SO4  A 994 (-3.9A)
None
None
None
 1.18A 5kkzA-3opyA:
undetectable
5kkzG-3opyA:
undetectable		 5kkzA-3opyA:
18.87
5kkzG-3opyA:
10.66
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.
5KKZ_E_ASCE1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 7 HIS A 864
VAL A 865
TYR A 751
GLN A 772
 SO4  A 994 (-3.9A)
None
None
None
 1.18A 5kkzC-3opyA:
undetectable
5kkzE-3opyA:
undetectable		 5kkzC-3opyA:
10.66
5kkzE-3opyA:
18.87
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.
5KKZ_K_ASCK1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 7 HIS A 864
VAL A 865
TYR A 751
GLN A 772
 SO4  A 994 (-3.9A)
None
None
None
 1.18A 5kkzK-3opyA:
undetectable
5kkzQ-3opyA:
undetectable		 5kkzK-3opyA:
18.87
5kkzQ-3opyA:
10.66
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.
5KKZ_O_ASCO1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 7 HIS A 864
VAL A 865
TYR A 751
GLN A 772
 SO4  A 994 (-3.9A)
None
None
None
 1.19A 5kkzM-3opyA:
undetectable
5kkzO-3opyA:
undetectable		 5kkzM-3opyA:
10.66
5kkzO-3opyA:
18.87
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.
5KQX_A_ROCA101_1
(PROTEASE E35D-SQV)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.82A 5kqxA-3opyA:
undetectable		 5kqxA-3opyA:
7.51
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.
5KR1_B_017B101_2
(PROTEASE PR5-DRV)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 8 GLY A 512
ALA A 231
VAL A 268
GLY A 236
ILE A 213
 None
 1.21A 5kr1B-3opyA:
undetectable		 5kr1B-3opyA:
8.24
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.
5L1F_A_6ZPA902_1
(GLUTAMATE RECEPTOR 2)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 8 SER A 872
ASP A 875
SER A 749
ASN A 746
SER A 738
 None
 1.16A 5l1fA-3opyA:
4.5
5l1fB-3opyA:
2.2		 5l1fA-3opyA:
21.83
5l1fB-3opyA:
21.83
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.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 6 LYS B 730
LEU B 801
ALA B 733
SER B 831
 SO4  B 944 (-2.8A)
None
None
None
 1.28A 5l4iB-3opyB:
undetectable		 5l4iB-3opyB:
9.03
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 ALA A 726
ALA A 608
GLY A 607
THR A 668
LEU A 692
 None
SO4  A 994 (-3.5A)
None
None
None
 0.85A 5lf7H-3opyA:
undetectable
5lf7I-3opyA:
undetectable		 5lf7H-3opyA:
14.47
5lf7I-3opyA:
11.43
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 ALA B 700
ALA B 581
GLY B 580
THR B 641
LEU B 666
 None
 0.99A 5lf7H-3opyB:
undetectable
5lf7I-3opyB:
undetectable		 5lf7H-3opyB:
13.98
5lf7I-3opyB:
13.29
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.
5LF7_V_6V8V303_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 ALA A 726
ALA A 608
GLY A 607
THR A 668
LEU A 692
 None
SO4  A 994 (-3.5A)
None
None
None
 0.83A 5lf7V-3opyA:
undetectable
5lf7W-3opyA:
undetectable		 5lf7V-3opyA:
14.47
5lf7W-3opyA:
11.43
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.
5LF7_V_6V8V303_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 11 ALA B 700
ALA B 581
GLY B 580
THR B 641
LEU B 666
 None
 0.98A 5lf7V-3opyB:
undetectable
5lf7W-3opyB:
undetectable		 5lf7V-3opyB:
13.98
5lf7W-3opyB:
13.29
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 THR A 743
VAL A 976
ALA A 227
SER A 749
ASN A 746
 None
 1.21A 5li8A-3opyA:
0.0		 5li8A-3opyA:
18.67
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.
5LI8_A_KKKA502_1
(PUTATIVE CYTOCHROME
P450 126)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 THR A 743
VAL A 976
ALA A 508
SER A 749
ASN A 746
 None
 1.41A 5li8A-3opyA:
0.0		 5li8A-3opyA:
18.67
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.
5M0I_B_ACTB303_0
(SWI5-DEPENDENT HO
EXPRESSION PROTEIN 2)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 THR I 246
ASN I 247
ASP I  94
LEU I  95
 None
 0.78A 5m0iB-3opyI:
undetectable		 5m0iB-3opyI:
23.16
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.
5M5K_B_ADNB502_2
(ADENOSYLHOMOCYSTEINA
SE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 4 GLN I 279
THR I 281
LEU I  99
LEU I  95
 None
 1.13A 5m5kB-3opyI:
4.2		 5m5kB-3opyI:
20.61
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.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 ALA B 519
VAL B 520
GLY B 327
GLU B 487
ALA B 328
 None
 1.20A 5n5dA-3opyB:
undetectable		 5n5dA-3opyB:
13.35
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.
5V96_B_ADNB502_2
(S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		4 / 4 GLU B 487
THR B 512
THR B 342
LEU B 289
 None
 1.41A 5v96B-3opyB:
4.0		 5v96B-3opyB:
20.00
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		6 / 12 ALA A 282
VAL A 310
GLY A 319
ALA A 320
LEU A 351
LEU A 308
 None
 1.25A 5xxiA-3opyA:
undetectable		 5xxiA-3opyA:
18.85
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		6 / 12 ALA B 254
VAL B 282
GLY B 291
ALA B 292
LEU B 323
LEU B 280
 None
 1.25A 5xxiA-3opyB:
undetectable		 5xxiA-3opyB:
19.21
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.
6B3A_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 512
ALA A 235
ILE A 531
LEU A 356
PRO A 529
 None
 1.00A 6b3aA-3opyA:
undetectable		 6b3aA-3opyA:
22.22
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.
6B3B_A_SAMA701_0
(APRA
METHYLTRANSFERASE 1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 512
ALA A 235
ILE A 531
LEU A 356
PRO A 529
 None
 1.05A 6b3bA-3opyA:
undetectable		 6b3bA-3opyA:
22.22
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.
6BPY_A_ACTA408_0
(THIOREDOXIN
REDUCTASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 PRO A 594
SER A 596
SER A 597
 None
 0.69A 6bpyA-3opyA:
2.4		 6bpyA-3opyA:
17.80
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.
6BXN_B_SAMB901_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		5 / 12 LEU A 491
GLY A 492
VAL B 447
ARG B 460
ILE B 371
 None
None
None
SO4  B 943 (-3.7A)
None
 1.44A 6bxnB-3opyA:
4.4		 6bxnB-3opyA:
16.30
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.
6CDU_G_EY4G502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 8 ILE A 843
ILE A 808
THR A 812
TYR A 815
 None
 1.05A 6cduG-3opyA:
undetectable
6cduH-3opyA:
undetectable		 6cduG-3opyA:
15.46
6cduH-3opyA:
15.46
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.
6DGX_A_017A101_0
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.87A 6dgxA-3opyA:
undetectable		 6dgxA-3opyA:
6.29
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.
6DH6_A_017A104_0
(PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.84A 6dh6A-3opyA:
undetectable		 6dh6A-3opyA:
6.29
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.
6DJ1_B_AB1B201_0
(HIV-1 PROTEASE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		5 / 12 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.87A 6dj1A-3opyA:
undetectable		 6dj1A-3opyA:
6.19
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 6 ASP A 570
GLN A 541
GLU A 572
ALA A 373
 None
 1.21A 6djzB-3opyA:
undetectable		 6djzB-3opyA:
14.22
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.
6DWD_D_GLYD713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		3 / 3 ARG A 487
HIS B 466
ARG A 396
 SO4  A 999 (-3.4A)
SO4  A 999 (-3.6A)
SO4  A 999 (-2.9A)
 1.18A 6dwdD-3opyA:
undetectable		 6dwdD-3opyA:
18.99
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.
6DWD_D_GLYD713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		3 / 3 ARG B 460
HIS A 493
ARG B 368
 SO4  B 943 (-3.7A)
SO4  B 943 (-4.2A)
SO4  B 943 (-2.6A)
 0.85A 6dwdD-3opyB:
undetectable		 6dwdD-3opyB:
21.15
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.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 ILE A 874
SER A 873
ALA A 373
LEU A 507
 None
 1.08A 6dwnA-3opyA:
undetectable		 6dwnA-3opyA:
5.97
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.
6EXI_A_ADNA503_1
(ADENOSYLHOMOCYSTEINA
SE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		3 / 3 LEU A  84
GLN A  85
LYS B 573
 None
 0.94A 6exiB-3opyA:
2.5		 6exiB-3opyA:
6.38
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.
6EXI_B_ADNB503_0
(ADENOSYLHOMOCYSTEINA
SE)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris;
Komagataella
pastoris) 		3 / 3 LEU A  84
GLN A  85
LYS B 573
 None
 0.96A 6exiA-3opyA:
2.5		 6exiA-3opyA:
6.38
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.
6GNG_B_QPSB601_3
(-)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT
(Komagataella
pastoris) 		3 / 3 ASP A 421
ASP A 657
ASN B 197
 None
SO4  A1001 (-4.4A)
None
 0.81A 6gngB-3opyA:
4.1		 6gngB-3opyA:
20.88
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.
6JI6_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME)		 3opy 6-PHOSPHOFRUCTO-1-KI
NASE GAMMA-SUBUNIT
(Komagataella
pastoris) 		4 / 5 GLY I  90
LEU I 126
TYR I 122
GLN I  88
 None
 1.30A 6ji6A-3opyI:
undetectable		 6ji6A-3opyI:
21.81