SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3mos'

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.
1GTN_B_TRPB81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 GLY A 466
ALA A 403
THR A 442
ILE A 467
 None
EDO  A 619 (-3.5A)
None
None
 0.80A 1gtnA-3mosA:
undetectable
1gtnB-3mosA:
undetectable		 1gtnA-3mosA:
8.81
1gtnB-3mosA:
8.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J8U_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 7 VAL A 163
LEU A 153
LEU A  73
ALA A  78
 None
None
EDO  A 627 (-4.4A)
None
 0.64A 1j8uA-3mosA:
undetectable		 1j8uA-3mosA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 11 SER A 345
GLY A 414
CYH A 413
THR A 472
GLY A 322
 None
 1.24A 1jr1A-3mosA:
undetectable		 1jr1A-3mosA:
22.90
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.
1LIK_A_ADNA699_1
(ADENOSINE KINASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 12 ILE A 568
LEU A 512
GLY A 567
TYR A 447
ASP A 433
 None
 1.00A 1likA-3mosA:
undetectable		 1likA-3mosA:
20.26
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.
1M4I_A_KANA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 ASP A 424
GLY A 418
SER A 415
THR A 346
 None
 0.88A 1m4iA-3mosA:
undetectable		 1m4iA-3mosA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 SER A 345
ARG A 318
GLN A 428
ASN A 344
 None
 1.14A 1p6kA-3mosA:
undetectable		 1p6kA-3mosA:
22.35
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.
1P6K_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 SER A 345
ARG A 318
GLN A 428
ASN A 344
 None
 1.10A 1p6kB-3mosA:
undetectable		 1p6kB-3mosA:
22.35
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.
1RS6_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 SER A 345
ARG A 318
GLN A 428
ASN A 344
 None
 1.16A 1rs6A-3mosA:
undetectable		 1rs6A-3mosA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 5 GLY A 130
GLN A 127
VAL A 120
SER A  74
 None
EDO  A 619 (-3.7A)
None
None
 1.35A 1rs6B-3mosA:
1.3		 1rs6B-3mosA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS6_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 SER A 345
ARG A 318
GLN A 428
ASN A 344
 None
 1.09A 1rs6B-3mosA:
1.3		 1rs6B-3mosA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS7_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 SER A 345
ARG A 318
GLN A 428
ASN A 344
 None
 1.10A 1rs7B-3mosA:
undetectable		 1rs7B-3mosA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_B_TRPB81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 GLY A 466
ALA A 403
THR A 442
ILE A 467
 None
EDO  A 619 (-3.5A)
None
None
 0.79A 1utdB-3mosA:
undetectable
1utdC-3mosA:
undetectable		 1utdB-3mosA:
8.81
1utdC-3mosA:
8.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UTD_J_TRPJ81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 GLY A 466
ALA A 403
THR A 442
ILE A 467
 None
EDO  A 619 (-3.5A)
None
None
 0.78A 1utdJ-3mosA:
undetectable
1utdK-3mosA:
undetectable		 1utdJ-3mosA:
8.81
1utdK-3mosA:
8.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1VPO_H_TESH1010_1
(ANTI-TESTOSTERONE
(HEAVY CHAIN)
ANTI-TESTOSTERONE
(LIGHT CHAIN))		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 12 ALA A 435
TYR A 563
GLY A 567
LEU A 434
VAL A 419
 None
EDO  A   2 (-4.5A)
None
None
None
 1.23A 1vpoH-3mosA:
undetectable
1vpoL-3mosA:
undetectable		 1vpoH-3mosA:
16.29
1vpoL-3mosA:
16.72
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.
1ZZQ_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 SER A 345
ARG A 318
GLN A 428
ASN A 344
 None
 1.14A 1zzqA-3mosA:
undetectable		 1zzqA-3mosA:
22.49
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.
1ZZQ_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 SER A 345
ARG A 318
GLN A 428
ASN A 344
 None
 1.14A 1zzqB-3mosA:
undetectable		 1zzqB-3mosA:
22.49
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.
1ZZU_A_MTLA870_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 SER A 345
ARG A 318
GLN A 428
ASN A 344
 None
 1.17A 1zzuA-3mosA:
undetectable		 1zzuA-3mosA:
22.49
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.
1ZZU_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 5 GLY A 130
GLN A 127
VAL A 120
SER A  74
 None
EDO  A 619 (-3.7A)
None
None
 1.39A 1zzuB-3mosA:
1.2		 1zzuB-3mosA:
22.49
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.
1ZZU_B_MTLB871_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 SER A 345
ARG A 318
GLN A 428
ASN A 344
 None
 1.10A 1zzuB-3mosA:
1.2		 1zzuB-3mosA:
22.49
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.
2AOH_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 5 LEU A 546
GLY A 569
ALA A 549
ILE A 545
 None
 0.81A 2aohB-3mosA:
undetectable		 2aohB-3mosA:
11.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXP_A_P1ZA3001_1
(SERUM ALBUMIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 12 TRP A 211
PHE A 228
LEU A 182
ALA A  44
ILE A  47
 None
 1.13A 2bxpA-3mosA:
undetectable		 2bxpA-3mosA:
22.41
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.
2G72_A_SAMA2001_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 12 THR A 511
LEU A 532
VAL A 584
ALA A 588
VAL A 572
 None
 1.21A 2g72A-3mosA:
2.2		 2g72A-3mosA:
18.72
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.
2V7U_A_SAMA1299_0
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 PHE A 385
PHE A 351
SER A 332
ARG A 334
 None
 1.19A 2v7uA-3mosA:
undetectable		 2v7uA-3mosA:
20.42
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.
3CYX_A_ROCA201_2
(HIV-1 PROTEASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		3 / 3 ARG A 471
VAL A 572
THR A 558
 None
 0.59A 3cyxA-3mosA:
undetectable		 3cyxA-3mosA:
12.10
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.
3CYX_A_ROCA201_4
(HIV-1 PROTEASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 4 LEU A 434
ASP A 541
VAL A 572
THR A 558
 None
 1.15A 3cyxB-3mosA:
undetectable		 3cyxB-3mosA:
12.10
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.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 4 ILE A 467
ARG A 334
ILE A 410
THR A 444
 None
 1.25A 3ia4C-3mosA:
undetectable		 3ia4C-3mosA:
12.99
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.
3IJX_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 10 LEU A 262
ILE A 248
SER A  43
SER A  40
GLY A 245
 None
None
TPP  A 700 ( 4.3A)
TPP  A 700 (-2.5A)
None
 1.19A 3ijxB-3mosA:
undetectable
3ijxD-3mosA:
undetectable		 3ijxB-3mosA:
20.36
3ijxD-3mosA:
20.36
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.
3IK6_B_HCZB262_1
(GLUTAMATE RECEPTOR 2)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 10 ILE A 248
SER A  43
SER A  40
GLY A 245
LEU A 262
 None
TPP  A 700 ( 4.3A)
TPP  A 700 (-2.5A)
None
None
 1.43A 3ik6B-3mosA:
undetectable
3ik6E-3mosA:
undetectable		 3ik6B-3mosA:
20.36
3ik6E-3mosA:
20.36
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.
3IK6_B_HCZB800_1
(GLUTAMATE RECEPTOR 2)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 10 LEU A 262
ILE A 248
SER A  43
SER A  40
GLY A 245
 None
None
TPP  A 700 ( 4.3A)
TPP  A 700 (-2.5A)
None
 1.19A 3ik6B-3mosA:
undetectable
3ik6E-3mosA:
undetectable		 3ik6B-3mosA:
20.36
3ik6E-3mosA:
20.36
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.
3ILU_E_HFZE800_1
(GLUTAMATE RECEPTOR 2)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 11 ILE A 248
SER A  43
SER A  40
GLY A 245
LEU A 262
 None
TPP  A 700 ( 4.3A)
TPP  A 700 (-2.5A)
None
None
 1.21A 3iluB-3mosA:
undetectable
3iluE-3mosA:
undetectable		 3iluB-3mosA:
20.36
3iluE-3mosA:
20.36
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.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 LEU A 512
THR A 511
GLY A 418
ILE A 537
 None
 0.81A 3jusA-3mosA:
undetectable		 3jusA-3mosA:
21.29
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.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 LEU A 512
THR A 511
GLY A 418
ILE A 537
 None
 0.81A 3jusA-3mosA:
undetectable		 3jusA-3mosA:
21.29
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 12 ASP A 561
GLY A 425
ALA A 430
ALA A 391
ASP A 433
 None
 1.00A 3keeC-3mosA:
undetectable		 3keeC-3mosA:
14.75
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.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 SER A 473
ASP A 433
LEU A 434
ASP A 561
 None
 1.11A 3n2oC-3mosA:
3.5
3n2oD-3mosA:
undetectable		 3n2oC-3mosA:
22.36
3n2oD-3mosA:
22.36
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.
3N62_B_MTLB870_0
(NITRIC OXIDE
SYNTHASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 8 SER A 345
ARG A 318
GLN A 428
ASN A 344
 None
 1.13A 3n62B-3mosA:
undetectable		 3n62B-3mosA:
22.47
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.
3NDT_A_ROCA101_1
(PROTEASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 12 LEU A 412
GLY A 466
ILE A 405
VAL A 370
ILE A 410
 None
 0.84A 3ndtA-3mosA:
undetectable		 3ndtA-3mosA:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PP7_B_SVRB499_1
(PYRUVATE KINASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 10 THR A 511
PRO A 534
GLY A 569
GLY A 509
ALA A 508
 None
 1.38A 3pp7B-3mosA:
2.4		 3pp7B-3mosA:
22.54
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.
3SUD_D_SUED1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 12 ASP A 561
GLY A 425
ALA A 430
ALA A 391
ASP A 433
 None
 1.00A 3sudD-3mosA:
undetectable		 3sudD-3mosA:
15.90
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.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 12 ASP A 561
GLY A 425
ALA A 430
ALA A 391
ASP A 433
 None
 1.09A 3sueC-3mosA:
undetectable		 3sueC-3mosA:
15.90
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.
3TL9_A_ROCA401_3
(PROTEASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 12 LEU A 412
GLY A 466
ILE A 405
VAL A 370
ILE A 410
 None
 0.87A 3tl9B-3mosA:
undetectable		 3tl9B-3mosA:
11.82
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.
4EAH_F_ACTF402_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		3 / 3 PHE A  53
ASP A  17
ARG A  21
 None
 0.84A 4eahF-3mosA:
undetectable		 4eahF-3mosA:
21.57
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.
4EAH_G_ACTG401_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		3 / 3 PHE A  53
ASP A  17
ARG A  21
 None
 0.83A 4eahG-3mosA:
undetectable		 4eahG-3mosA:
21.57
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.
4KT0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 11 MET A 436
PHE A 437
SER A 439
ALA A 404
ILE A 360
 None
 1.01A 4kt0A-3mosA:
undetectable
4kt0J-3mosA:
undetectable		 4kt0A-3mosA:
21.10
4kt0J-3mosA:
6.00
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.
4PD4_C_AOQC4003_1
(CYTOCHROME B)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 12 GLY A 569
VAL A 572
ILE A 537
LEU A 532
ILE A 529
 None
 1.02A 4pd4C-3mosA:
undetectable		 4pd4C-3mosA:
20.13
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.
4PGH_C_SAMC401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 11 SER A 473
GLY A 507
LEU A 532
VAL A 495
ILE A 568
 None
 1.19A 4pghC-3mosA:
4.2		 4pghC-3mosA:
20.89
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.
4RKU_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 8 MET A 436
PHE A 437
SER A 439
ALA A 404
PHE A 359
 None
 1.45A 4rkuA-3mosA:
undetectable
4rkuJ-3mosA:
undetectable		 4rkuA-3mosA:
20.67
4rkuJ-3mosA:
5.25
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.
4XK8_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 7 MET A 436
PHE A 437
SER A 439
ALA A 404
 None
 1.02A 4xk8A-3mosA:
undetectable		 4xk8A-3mosA:
21.21
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.
4Y28_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 9 MET A 436
PHE A 437
SER A 439
ALA A 404
PHE A 359
 None
 1.41A 4y28A-3mosA:
2.4
4y28J-3mosA:
undetectable		 4y28A-3mosA:
22.25
4y28J-3mosA:
5.64
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.
4ZE1_A_X2NA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 5 VAL A 584
ILE A 479
PRO A 534
THR A 472
 None
 1.34A 4ze1A-3mosA:
undetectable		 4ze1A-3mosA:
21.65
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.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 3mos TRANSKETOLASE
(Homo
sapiens) 		3 / 3 LYS A 244
ASP A 253
ILE A  47
 TPP  A 700 (-2.7A)
None
None
 0.82A 5kc4E-3mosA:
undetectable		 5kc4E-3mosA:
15.13
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.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 10 MET A 436
PHE A 437
SER A 439
ALA A 404
ILE A 360
 None
 1.10A 5oy01-3mosA:
undetectable
5oy07-3mosA:
undetectable		 5oy01-3mosA:
8.53
5oy07-3mosA:
6.00
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.
5WZ1_A_SAMA601_0
(NS5
METHYLTRANSFERASE)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 12 GLY A 606
HIS A 513
GLU A 514
ASP A 533
ASP A 561
 EDO  A 622 ( 4.4A)
None
None
None
None
 1.04A 5wz1A-3mosA:
undetectable		 5wz1A-3mosA:
20.47
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.
5ZV2_B_LEVB801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1)		 3mos TRANSKETOLASE
(Homo
sapiens) 		3 / 3 TYR A  83
LEU A  73
ASP A 183
 None
EDO  A 627 (-4.4A)
TPP  A 700 ( 4.5A)
 0.84A 5zv2B-3mosA:
undetectable		 5zv2B-3mosA:
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 3mos TRANSKETOLASE
(Homo
sapiens) 		4 / 6 TYR A 147
ASP A 119
VAL A 120
ALA A 293
 None
 1.26A 6djzB-3mosA:
undetectable		 6djzB-3mosA:
17.79
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.
6NM4_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9)		 3mos TRANSKETOLASE
(Homo
sapiens) 		5 / 9 ILE A 301
ALA A 462
LEU A 460
GLY A 466
ASN A 463
 None
 1.33A 6nm4B-3mosA:
undetectable		 6nm4B-3mosA:
16.56