PDB ID: 2kaf


Macromolecule:
NSP3

Source Organism:
SARSr

Gene names:
-

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2kaf'

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

DrReposER ID / Desc. Drug Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM 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.
1MJQ_H_SAMH200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 10
HIS A  51
PHE A  32
GLY A  29
LEU A  59
GLU A   3
1.76A21.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K87_A_ADNA602_1
(PROLINE--TRNA LIGASE)		Adenosine4 / 8
ARG A  17
PHE A   6
GLY A  14
THR A   9
1.47A9.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		Colfosceril palmitate4 / 7
GLY A  23
HIS A  42
VAL A  40
SER A  11
1.13A18.68
22.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HU9_H_PCFH604_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		Colfosceril palmitate5 / 8
GLY A  23
HIS A  42
VAL A  40
SER A  11
ALA A  13
1.15A18.68
22.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SXQ_A_NIZA808_1
(CATALASE-PEROXIDASE)		Isoniazid4 / 8
ARG A  25
GLU A  27
GLY A  29
LEU A  44
1.41A7.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FZV_A_SAMA401_0
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine5 / 12
GLY A   1
GLY A   1
LEU A  57
SER A  58
LEU A  66
1.22A12.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PUO_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
VAL A  48
VAL A  56
TYR A  41
LEU A  44
1.25A9.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SYJ_A_NIZA809_1
(CATALASE-PEROXIDASE)		Isoniazid4 / 8
ARG A  25
GLU A  27
GLY A  29
LEU A  44
1.41A7.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJQ_B_SAMB200_0
(METHIONINE REPRESSOR)		S-Adenosylmethionine5 / 11
GLU A  49
HIS A  51
PHE A  32
LEU A  66
LEU A  57
1.74A21.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QEL_D_QELD2_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		Ifenprodil4 / 5
TYR A  41
THR A  43
PHE A  50
LEU A  52
1.70A12.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z2B_C_VLBC800_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA CHAIN)		Vinblastine4 / 8
VAL A  10
TYR A  16
TYR A  21
LEU A  33
1.35A10.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U63_A_ACTA405_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
GLY A  29
LEU A  44
HIS A  42
1.58A13.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK3_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine5 / 7
PHE A   6
PHE A  50
GLU A   3
VAL A  30
LEU A  33
1.78A7.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HXF_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
GLU A   8
HIS A  42
SER A  11
LEU A  62
GLY A   1
1.27A10.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVQ_A_ACTA904_0
(TYROSINE-PROTEIN
KINASE JAK2)		Acetic acid3 / 3
PHE A  50
VAL A  48
GLU A   4
1.39A14.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VQ5_B_LDPB1197_1
(S-NORCOCLAURINE
SYNTHASE)		Dopamine4 / 7
LEU A  62
LEU A  59
PHE A  50
LEU A  33
1.40A21.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWD_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
VAL A  48
VAL A  56
TYR A  41
LEU A  44
1.28A9.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_B_REAB602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		Tretinoin5 / 9
ILE A  39
LEU A  52
GLN A  24
LEU A  33
LEU A  66
1.44A10.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KW0_A_H4BA429_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 12
VAL A  40
LEU A  57
SER A  58
PHE A  50
LEU A  59
1.76A17.41
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Paroxetine5 / 12
VAL A  10
ALA A  13
TYR A  16
PHE A  50
PHE A  32
1.42A8.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y05_A_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)		Raloxifene5 / 8
VAL A  48
SER A  64
VAL A  10
TYR A  16
VAL A  40
1.59A13.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ETB_2_T442129_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU A  57
GLU A  49
THR A  43
LEU A  52
1.35A23.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AB2_A_SNLA502_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 6
LEU A  52
LEU A  65
LEU A  66
LEU A  59
1.23A16.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		Aminosalicylic Acid4 / 6
LEU A  62
VAL A  40
LEU A  52
ARG A  35
1.19A17.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F9Z_A_HFGA702_0
(AMINOACYL-TRNA
SYNTHETASE)		Halofuginone5 / 12
GLY A  54
GLU A  55
VAL A  56
TRP A  19
GLY A  36
1.51A8.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram5 / 12
PHE A   6
SER A  67
LEU A  65
GLY A  14
VAL A  10
1.45A8.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
GLU A  31
GLY A  29
LEU A  66
SER A  22
ILE A  39
1.41A14.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2P4N_B_TA1B601_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
GLU A   8
HIS A  42
SER A  11
LEU A  62
GLY A   1
1.27A10.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_B_1X9B503_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		Cerulenin5 / 12
PHE A  50
HIS A   5
THR A   9
LEU A  59
GLY A   1
1.64A10.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FZV_A_SAMA401_0
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine5 / 12
GLY A   1
GLY A   1
LEU A  57
SER A  58
LEU A  33
1.12A12.50
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Sapropterin5 / 7
VAL A  40
LEU A  57
SER A  58
PHE A  50
LEU A  59
1.65A17.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine6 / 12
LEU A  62
ASP A  60
LEU A  59
SER A  64
LEU A  66
SER A  67
1.79A21.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJJ_D_NCTD501_1
(CYTOCHROME P450 2A6)		Nicotine4 / 7
PHE A  32
GLY A  14
LEU A  66
PHE A   6
1.03A12.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TRQ_B_ACTB307_0
(WELO5)		Acetic acid3 / 3
GLU A   4
HIS A  42
VAL A  48
1.01A13.06
None
Potential target for repurposing, i.e. matched protein structure has less than 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_H_ZPCH1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 7
GLU A  27
TYR A  41
HIS A  42
VAL A  56
1.56A15.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XIW_A_AZMA402_1
(CARBONIC ANHYDRASE,
ALPHA TYPE)		Acetazolamide5 / 12
GLU A  49
HIS A  51
VAL A  40
THR A  43
VAL A  10
1.54A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MEE_A_T27A561_1
(P66 REVERSE
TRANSCRIPTASE)		Rilpivirine5 / 12
LEU A  62
VAL A  56
VAL A  48
TYR A  41
LEU A  52
1.65A9.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZV_A_AZMA263_1
(CARBONIC ANHYDRASE
13)		Acetazolamide5 / 12
HIS A  51
VAL A  40
THR A  43
VAL A  48
VAL A  10
1.47A17.41
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Sapropterin4 / 7
VAL A  40
LEU A  65
LEU A  62
SER A  58
0.92A17.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		Acetaminophen3 / 3
LEU A  66
TYR A  16
GLY A  14
1.28A12.88
None
Potential target for repurposing, i.e. matched protein structure has less than 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_B_30BB500_2
(GENOME POLYPROTEIN)		Simeprevir3 / 3
PHE A  50
TYR A  16
LEU A  28
1.40A20.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W67_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 11
LEU A  57
VAL A  40
LEU A  33
PHE A  50
VAL A  10
1.41A15.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YGF_B_AZMB303_1
(ALPHA-CARBONIC
ANHYDRASE)		Acetazolamide5 / 11
GLU A  49
HIS A  51
LYS A  38
VAL A  40
LEU A  57
1.33A13.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_A_SAMA901_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 11
VAL A  48
GLU A   3
LYS A   1
SER A   2
SER A  46
1.70A6.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN5_C_T3C601_1
(TRANSTHYRETIN)		Liothyronine4 / 6
LEU A  52
GLU A  31
LEU A  57
VAL A  10
1.22A21.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		Cerulenin5 / 12
PHE A  50
HIS A   5
THR A   9
LEU A  59
GLY A   1
1.65A10.61
None
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(IGG2B-KAPPA 40-50
FAB (HEAVY CHAIN))		Ouabain4 / 6
HIS A  42
PHE A  32
TYR A  16
VAL A  30
1.74A16.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TUD_A_ERMA2001_1
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		Ergotamine5 / 12
VAL A  30
VAL A  10
LEU A  59
LEU A  62
VAL A  40
1.32A11.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W6H_A_AZMA303_1
(CARBONIC ANHYDRASE 1)		Acetazolamide4 / 8
HIS A  51
LEU A  44
THR A  43
HIS A  42
1.35A16.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0Y_A_FOLA201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		Folic Acid5 / 12
LEU A  44
GLY A  23
PHE A  50
TYR A  41
VAL A  48
1.55A15.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZM_A_SAMA401_0
(UNCHARACTERIZED
PROTEIN MJ0883)		S-Adenosylmethionine5 / 12
PHE A  32
GLY A  23
VAL A   7
LEU A  33
PHE A   6
1.52A12.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H5F_A_SAMA301_0
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		S-Adenosylmethionine5 / 12
LEU A  33
PHE A  32
GLY A  54
ARG A  35
LEU A  66
1.01A15.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1U18_A_HSMA401_1
(NITROPHORIN 1)		Histamine4 / 4
ASP A  60
LEU A  62
LEU A  65
LEU A  59
1.71A20.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V81_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Nevirapine4 / 8
VAL A  48
VAL A  56
TYR A  41
LEU A  44
1.21A9.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN5_C_T3C601_2
(TRANSTHYRETIN)		Liothyronine4 / 8
LEU A  52
GLU A  31
LEU A  57
VAL A  10
1.22A21.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DFO_A_FFOA1002_2
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Levoleucovorin2 / 3
SER A  46
GLU A  45
0.10A10.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D2T_A_1FLA502_1
(TRANSTHYRETIN)		Diflunisal4 / 7
LEU A  57
LEU A  65
SER A  64
VAL A  10
1.31A23.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		Pantothenic acid4 / 8
HIS A  42
VAL A   7
VAL A  10
ARG A  25
1.46A14.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_E_TRPE1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 7
GLY A  29
HIS A  42
ILE A  39
GLN A  24
1.31A16.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M8P_A_65BA562_0
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H
P51 RT)		Etravirine5 / 11
LEU A  62
VAL A  56
VAL A  48
TYR A  41
LEU A  52
1.77A9.27
10.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FOF_F_MFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A)		Moxifloxacin2 / 3
GLY A  14
SER A  20
0.41A8.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERG_B_SAMB401_1
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		S-Adenosylmethionine4 / 7
GLY A   1
SER A  46
GLU A   3
ASP A  60
1.30A12.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		Melatonin5 / 12
LEU A  59
VAL A  48
PHE A  50
HIS A  42
VAL A  10
1.35A19.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RGF_A_BAXA465_2
(CYCLIN-DEPENDENT
KINASE 8)		Sorafenib4 / 7
LEU A  33
VAL A  40
VAL A  10
LEU A  28
1.30A10.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B53_B_ACTB1445_0
(IG GAMMA-4 CHAIN C
REGION)		Acetic acid3 / 3
GLU A   4
GLY A   1
SER A  46
0.76A25.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S8P_A_SAMA500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine3 / 3
HIS A  42
SER A   2
GLU A   4
1.73A13.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_C_REAC602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		Tretinoin5 / 10
ILE A  39
LEU A  52
GLN A  24
LEU A  33
LEU A  66
1.37A10.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CE2_B_SVRB202_1
()		Suramin4 / 8
LEU A  57
LEU A  62
LEU A  28
GLY A  29
1.20A18.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HKU_A_TORA300_2
(CARBONIC ANHYDRASE 2)		Topiramate3 / 3
GLU A  49
HIS A  51
THR A  43
1.34A22.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NVP_A_ACAA18_1
(ENVELOPE
GLYCOPROTEIN,GP41)		Aminocaproic Acid5 / 12
SER A  64
LYS A  63
GLU A  55
LEU A  57
LEU A  62
1.34A22.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2M9P_B_BEZB251_0
(SERINE PROTEASE
INHIBITOR
SERINE PROTEASE
SUBUNIT NS2B, SERINE
PROTEASE NS3)		Benzoic Acid3 / 3
VAL A  30
SER A  22
GLY A  23
1.18A16.17
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Eribulin5 / 11
VAL A  10
GLU A   8
TYR A  16
TYR A  21
LEU A  33
1.72A10.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z2B_C_VLBC800_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA CHAIN)		Vinblastine4 / 8
VAL A  10
TYR A  21
TYR A  16
LEU A  33
1.31A10.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		Quinine5 / 9
SER A  46
THR A  43
VAL A  30
VAL A   7
LEU A  44
1.72A9.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
GLU A  27
GLU A  31
LEU A  44
1.31A10.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TMZ_A_06XA504_1
(CYTOCHROME P450 2B4)		Amlodipine5 / 9
LEU A  57
GLU A   3
PHE A  32
GLU A  49
VAL A   7
1.72A11.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AZM_A_AZMA262_1
(CARBONIC ANHYDRASE I)		Acetazolamide4 / 8
HIS A  51
LEU A  44
THR A  43
HIS A  42
1.10A16.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OM7_A_DM2A501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Epirubicin5 / 11
VAL A  40
LEU A  62
PHE A   6
GLU A   3
VAL A  10
1.43A13.03
20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		Furosemide5 / 11
SER A  11
ALA A  13
LEU A  62
LEU A  66
LEU A  52
1.14A13.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XZ3_A_ICFA201_1
(FERRITIN LIGHT CHAIN)		Isoflurane4 / 4
LEU A  33
SER A  15
TYR A  16
LEU A  66
1.79A22.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V81_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Nevirapine4 / 8
LEU A  62
VAL A  48
TYR A  41
LEU A  52
1.36A9.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FOF_F_MFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A)		Moxifloxacin2 / 3
GLY A  14
SER A  11
0.27A8.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGF_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A  12
GLU A   8
LEU A  33
GLY A  23
HIS A  42
1.73A9.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		Flurbiprofen4 / 8
LYS A  61
LEU A  65
LEU A  52
LEU A  28
1.16A24.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		Adenosine5 / 10
PHE A  32
GLY A  23
VAL A   7
LEU A  33
PHE A   6
1.50A12.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0B_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
VAL A  48
VAL A  56
TYR A  41
LEU A  44
1.20A9.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VHU_A_SNLA1001_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 5
LEU A  65
LEU A  66
LEU A  59
SER A  58
1.34A15.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		Benzylpenicillin5 / 12
SER A   2
LEU A  59
SER A  46
VAL A  48
PHE A  50
1.41A14.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QZZ_A_SAMA635_0
(ACLACINOMYCIN-10-HYD
ROXYLASE)		S-Adenosylmethionine5 / 12
GLY A   1
GLY A   1
GLU A   3
PRO A  47
ASP A  60
1.13A11.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IZ0_B_TA1B820_1
(BETA TUBULIN, CHAIN
B FROM PDB 1JFF)		Paclitaxel5 / 12
GLU A   8
HIS A  42
SER A  11
LEU A  62
GLY A   1
1.26A10.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FPJ_A_SAMA301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine4 / 6
GLY A   1
THR A   9
GLU A   4
GLU A  49
1.47A15.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDK_B_9CRB600_2
(RETINOIC ACID
RECEPTOR, BETA)		Alitretinoin3 / 3
LEU A  59
PHE A   6
ARG A  35
1.12A11.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_3
(PROTEASE)		Darunavir3 / 3
ASP A  53
VAL A  40
LEU A  57
1.02A19.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KM9_B_ADNB201_1
(HISTIDINE TRIAD
NUCLEOTIDE-BINDING
PROTEIN 2,
MITOCHONDRIAL)		Adenosine5 / 12
PHE A  50
LEU A  33
LEU A  59
SER A  46
VAL A  48
0.95A17.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XDQ_A_BEZA306_0
(GLYCOSIDE HYDROLASE
FAMILY PROTEIN)		Benzoic Acid3 / 3
ARG A  35
ASP A  18
TRP A  19
1.40A13.78
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_8PRA603_1
(TRANSPORTER)		Paroxetine5 / 12
VAL A  10
ALA A  13
TYR A  16
PHE A  50
PHE A  32
1.46A8.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDS_B_SAMB9635_0
(PROTEIN RDMB)		S-Adenosylmethionine5 / 12
GLY A   1
GLY A   1
GLU A   3
PRO A  47
ASP A  60
1.34A11.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		Methazolamide4 / 8
HIS A  51
LEU A  44
THR A  43
HIS A  42
1.44A16.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z2C_F_MFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
SYMMETRIZED E-SITE
DNA)		Moxifloxacin2 / 4
GLY A  29
GLU A  27
0.38A10.38
12.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain4 / 6
PRO A  47
VAL A  56
PHE A  50
THR A  43
1.54A5.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		Ciprofloxacin3 / 3
ARG A  25
GLY A  29
SER A  46
1.30A7.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IOL_A_ESTA400_1
(ESTROGENIC 17-BETA
HYDROXYSTEROID
DEHYDROGENASE)		Estradiol5 / 11
VAL A  30
GLY A  29
LEU A  44
GLY A  23
GLU A   4
1.68A17.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCO_B_TA1B601_1
(BOVINE BETA TUBULIN)		Paclitaxel5 / 12
GLU A   8
HIS A  42
SER A  11
LEU A  62
GLY A   1
1.27A10.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGC_A_ACTA810_0
(GEPHYRIN)		Acetic acid3 / 3
LEU A  62
SER A  58
PHE A  50
1.25A9.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FHX_B_PXLB313_1
(PYRIDOXAL KINASE)		Pyridoxal4 / 8
VAL A  56
HIS A  42
THR A  43
VAL A   7
0.87A12.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWD_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
VAL A  48
VAL A  56
TYR A  41
LEU A  44
1.28A9.19
None