SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '113'


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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		5 / 12 HIS A  55
HIS A  96
PHE A  19
PHE A  44
ALA A 108
 MN  A1132 (-3.4A)
MN  A1132 (-3.4A)
None
None
None
 1.21A 1a4lA-4bifA:
undetectable		 1a4lA-4bifA:
17.87
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		5 / 12 HIS A  55
HIS A  96
PHE A  19
PHE A  44
ALA A 108
 MN  A1132 (-3.4A)
MN  A1132 (-3.4A)
None
None
None
 1.21A 1a4lC-4bifA:
undetectable		 1a4lC-4bifA:
17.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CBR_A_REAA200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 PHE A  19
THR A  56
VAL A  60
ARG A 129
TYR A 131
 None
A9M  A1136 ( 4.3A)
A9M  A1136 (-4.8A)
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 0.89A 1cbrA-4azpA:
19.5		 1cbrA-4azpA:
33.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1CBR_B_REAB200_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
TYPE I)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 PHE A  19
THR A  56
VAL A  60
ARG A 129
TYR A 131
 None
A9M  A1136 ( 4.3A)
A9M  A1136 (-4.8A)
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 0.89A 1cbrB-4azpA:
19.6		 1cbrB-4azpA:
33.57
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.
1E7A_A_PFLA4001_1
(SERUM ALBUMIN)		 4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2
(Vibrio
cholerae) 		5 / 9 LEU A 261
ILE A 257
LEU A 117
GLY A 312
ALA A 223
 None
None
None
SCY  A 113 ( 3.1A)
None
 1.26A 1e7aA-4x0oA:
undetectable		 1e7aA-4x0oA:
20.72
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.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)		 3p8c NCK-ASSOCIATED
PROTEIN 1
(Homo
sapiens) 		5 / 12 THR B 536
ARG B 343
LEU B 375
LEU B 408
LEU B 230
 None
CL  B1131 (-3.8A)
None
None
None
 1.25A 1eiiA-3p8cB:
undetectable		 1eiiA-3p8cB:
7.80
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.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 3o5t PII-LIKE PROTEIN PZ
(Azospirillum
brasilense) 		5 / 9 VAL B  63
VAL B  16
LEU B  20
ILE B  91
ALA B   6
 ADP  B 113 (-4.1A)
None
None
None
None
 0.96A 1eqgA-3o5tB:
undetectable		 1eqgA-3o5tB:
10.69
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.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 3o5t PII-LIKE PROTEIN PZ
(Azospirillum
brasilense) 		5 / 11 VAL B  63
VAL B  16
LEU B  20
ILE B  91
ALA B   6
 ADP  B 113 (-4.1A)
None
None
None
None
 0.97A 1eqgB-3o5tB:
undetectable		 1eqgB-3o5tB:
10.69
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.
1EQH_A_FLPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 3o5t PII-LIKE PROTEIN PZ
(Azospirillum
brasilense) 		5 / 12 VAL B  63
VAL B  16
LEU B  20
ILE B  91
ALA B   6
 ADP  B 113 (-4.1A)
None
None
None
None
 0.96A 1eqhA-3o5tB:
undetectable		 1eqhA-3o5tB:
10.69
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.
1EQH_B_FLPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		 3o5t PII-LIKE PROTEIN PZ
(Azospirillum
brasilense) 		5 / 12 VAL B  63
VAL B  16
LEU B  20
ILE B  91
ALA B   6
 ADP  B 113 (-4.1A)
None
None
None
None
 0.97A 1eqhB-3o5tB:
undetectable		 1eqhB-3o5tB:
10.69
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.
1F9G_A_ASCA950_0
(HYALURONATE LYASE)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 7 ARG A  71
ASN A 199
TYR A 260
ASN A 235
 None
GAL  A1130 (-3.5A)
GAL  A1130 (-4.5A)
GAL  A1130 (-4.6A)
 1.50A 1f9gA-4iugA:
undetectable		 1f9gA-4iugA:
22.71
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.
1FBM_B_RTLB951_1
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		 5lmx DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT
RPAC1,DNA-DIRECTED
RNA POLYMERASES I
AND III SUBUNIT
RPAC1
(Saccharomyces
cerevisiae) 		4 / 4 THR C 114
LEU C 113
VAL C  78
LEU C 106
 THR  C 114 ( 0.8A)
LEU  C 113 ( 0.6A)
VAL  C  78 ( 0.6A)
LEU  C 106 ( 0.5A)
 0.97A 1fbmB-5lmxC:
undetectable		 1fbmB-5lmxC:
8.16
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.
1FML_B_RTLB501_0
(RETINOL DEHYDRATASE)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		5 / 12 ILE A  72
LEU A  80
HIS A  99
HIS A 223
TYR A  40
 None
None
ZN  A1001 (-3.4A)
113  A2002 ( 3.6A)
None
 1.23A 1fmlB-1hlkA:
undetectable		 1fmlB-1hlkA:
20.51
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.
1G50_A_ESTA600_1
(ESTROGEN RECEPTOR)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 11 LEU A 222
ALA A 113
GLU A 116
ARG A 234
LEU A 187
 LEU  A 222 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 116 ( 0.5A)
ARG  A 234 ( 0.6A)
LEU  A 187 ( 0.5A)
 1.21A 1g50A-3wd7A:
undetectable		 1g50A-3wd7A:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK1_A_T44A3004_1
(SERUM ALBUMIN)		 5xyi 40S RIBOSOMAL
PROTEIN SA
(Trichomonas
vaginalis) 		4 / 6 PHE A 101
GLU A 134
VAL A  72
MET A 120
 None
A  21131 ( 3.1A)
None
None
 1.06A 1hk1A-5xyiA:
undetectable		 1hk1A-5xyiA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HSH_A_MK1A401_1
(HIV-II PROTEASE)		 2w3j CARBOHYDRATE BINDING
MODULE
(uncultured
bacterium) 		6 / 12 GLY A  60
ASP A  32
ILE A  31
GLY A  29
ILE A 124
ILE A 121
 None
CA  A1138 (-3.3A)
None
CA  A1139 (-4.4A)
None
None
 1.40A 1hshA-2w3jA:
undetectable		 1hshA-2w3jA:
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.
1HVY_B_D16B415_1
(THYMIDYLATE SYNTHASE)		 4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2
(Vibrio
cholerae) 		5 / 12 ILE A 257
ASN A 281
GLY A 216
PHE A 220
ALA A 313
 None
SCY  A 113 ( 3.7A)
None
None
SCY  A 113 ( 3.9A)
 1.35A 1hvyB-4x0oA:
undetectable		 1hvyB-4x0oA:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		 2ktq PROTEIN (LARGE
FRAGMENT OF DNA
POLYMERASE I)
(Thermus
aquaticus) 		4 / 5 TYR A 671
LEU A 622
THR A 571
ARG A 728
 DCT  A 113 (-4.7A)
None
None
None
 1.31A 1i2wA-2ktqA:
undetectable		 1i2wA-2ktqA:
20.22
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		 1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H
(Streptomyces
plicatus) 		4 / 6 ALA A 110
LYS A 113
ASP A 117
ALA A 118
 ALA  A 110 ( 0.0A)
LYS  A 113 ( 0.0A)
ASP  A 117 ( 0.6A)
ALA  A 118 ( 0.0A)
 0.23A 1iwhA-1c8xA:
undetectable		 1iwhA-1c8xA:
20.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JB0_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		9 / 11 TRP A  55
MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.59A 1jb0B-4rkuA:
33.6		 1jb0B-4rkuA:
45.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHQ_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		4 / 8 GLY A1035
GLY A1030
ARG A1034
GLY A1032
 None
IPA  A1135 ( 4.4A)
None
None
 0.72A 1jhqA-1mc2A:
undetectable		 1jhqA-1mc2A:
15.84
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		 4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2
(Vibrio
cholerae) 		5 / 11 ILE A 257
ASN A 281
GLY A 216
PHE A 220
ALA A 313
 None
SCY  A 113 ( 3.7A)
None
None
SCY  A 113 ( 3.9A)
 1.36A 1ju6A-4x0oA:
undetectable		 1ju6A-4x0oA:
24.76
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.
1JU6_C_LYAC315_1
(THYMIDYLATE SYNTHASE)		 4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2
(Vibrio
cholerae) 		5 / 10 ILE A 257
ASN A 281
GLY A 216
PHE A 220
ALA A 313
 None
SCY  A 113 ( 3.7A)
None
None
SCY  A 113 ( 3.9A)
 1.36A 1ju6C-4x0oA:
undetectable		 1ju6C-4x0oA:
24.76
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.
1KT6_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 11 LEU A 137
ALA A 170
VAL A 136
LEU A 113
ARG A 117
 LEU  A 137 ( 0.6A)
ALA  A 170 ( 0.0A)
VAL  A 136 ( 0.6A)
LEU  A 113 ( 0.6A)
ARG  A 117 ( 0.6A)
 1.43A 1kt6A-3ab7A:
undetectable		 1kt6A-3ab7A:
19.19
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.
1MJ2_A_SAMA2201_1
(PROTEIN (METHIONINE
REPRESSOR))		 5xxu RIBOSOMAL PROTEIN
US12
(Toxoplasma
gondii) 		4 / 4 HIS X 110
ALA X 111
PHE X 105
GLY X 109
 U  21131 ( 4.3A)
U  21131 ( 4.7A)
None
None
 1.38A 1mj2B-5xxuX:
undetectable		 1mj2B-5xxuX:
19.71
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.
1MJO_A_SAMA199_1
(METHIONINE REPRESSOR)		 5xxu RIBOSOMAL PROTEIN
US12
(Toxoplasma
gondii) 		4 / 4 HIS X 110
ALA X 111
PHE X 105
GLY X 109
 U  21131 ( 4.3A)
U  21131 ( 4.7A)
None
None
 1.38A 1mjoB-5xxuX:
undetectable		 1mjoB-5xxuX:
19.71
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.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)		 5xxu RIBOSOMAL PROTEIN
US12
(Toxoplasma
gondii) 		4 / 4 HIS X 110
ALA X 111
PHE X 105
GLY X 109
 U  21131 ( 4.3A)
U  21131 ( 4.7A)
None
None
 1.35A 1mjoA-5xxuX:
undetectable		 1mjoA-5xxuX:
19.71
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.
1MJO_D_SAMD200_1
(METHIONINE REPRESSOR)		 5xxu RIBOSOMAL PROTEIN
US12
(Toxoplasma
gondii) 		4 / 4 HIS X 110
ALA X 111
PHE X 105
GLY X 109
 U  21131 ( 4.3A)
U  21131 ( 4.7A)
None
None
 1.41A 1mjoD-5xxuX:
undetectable		 1mjoD-5xxuX:
19.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		5 / 12 PHE A  17
TYR A  20
ALA A  34
PRO A  39
THR A  54
 None
None
NA  A1132 ( 4.0A)
None
None
 0.93A 1mx8A-4a60A:
16.3		 1mx8A-4a60A:
31.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 PHE A  19
TYR A  22
ALA A  36
PRO A  41
THR A  56
 None
None
A9M  A1136 (-3.4A)
A9M  A1136 ( 4.7A)
A9M  A1136 ( 4.3A)
 1.03A 1mx8A-4azpA:
16.9		 1mx8A-4azpA:
32.41
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.
1N2X_A_SAMA401_0
(S-ADENOSYL-METHYLTRA
NSFERASE MRAW)		 1zu4 FTSY
(Mycoplasma
mycoides) 		5 / 12 GLY A 203
GLY A 208
VAL A 344
VAL A 202
ARG A 236
 None
SO4  A1130 (-3.7A)
None
None
SO4  A1130 (-3.9A)
 1.28A 1n2xA-1zu4A:
undetectable		 1n2xA-1zu4A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OT7_A_CHCA1001_1
(BILE ACID RECEPTOR)		 2wu5 SUCCINATE
DEHYDROGENASE
CYTOCHROME B556
SUBUNIT
(Escherichia
coli) 		5 / 12 SER C  33
ILE C  36
ILE C  28
TYR C  83
HIS C  91
 None
None
CBE  C1130 (-4.0A)
None
HEM  C 305 (-3.2A)
 1.49A 1ot7A-2wu5C:
1.8		 1ot7A-2wu5C:
20.09
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.
1QLT_A_ACTA601_0
(VANILLYL-ALCOHOL
OXIDASE)		 2wsh ENDONUCLEASE II
(Escherichia
virus
T4) 		4 / 5 TYR A  61
ILE A  39
TYR A  37
ARG A  57
 None
None
PO4  A1133 (-4.7A)
PO4  A1133 (-3.6A)
 1.29A 1qltA-2wshA:
0.0		 1qltA-2wshA:
13.21
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.
1SDT_B_MK1B902_1
(PROTEASE RETROPEPSIN)		 2f4i HYPOTHETICAL PROTEIN
TM0957
(Thermotoga
maritima) 		5 / 10 LEU A 125
GLY A 180
ILE A 213
VAL A 112
ILE A 110
 None
None
None
MLY  A 113 ( 2.9A)
None
 0.96A 1sdtA-2f4iA:
undetectable		 1sdtA-2f4iA:
17.65
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.
1T6Z_A_RBFA296_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 5nbs BETA-GLUCOSIDASE
(Neurospora
crassa) 		5 / 11 VAL A 530
ASN A 478
GLU A 525
GLU A 418
ILE A 484
 None
None
BMA  A1134 (-3.6A)
None
None
 1.47A 1t6zA-5nbsA:
undetectable		 1t6zA-5nbsA:
13.31
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.
1T9U_A_CPFA5002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE
(Salmonella
enterica) 		4 / 6 PHE A1094
ASN A1136
ASN A 474
GLN A1048
 CYG  A1135 ( 3.1A)
CYG  A1135 ( 4.4A)
None
None
 1.21A 1t9uA-3ummA:
5.0		 1t9uA-3ummA:
22.28
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.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 1jpc AGGLUTININ
(Galanthus
nivalis) 		3 / 3 GLY A  78
ASP A  59
ASN A  76
 MAN  A 113 ( 4.8A)
MAN  A 113 (-3.2A)
MAN  A 114 (-3.1A)
 0.53A 1vq1A-1jpcA:
undetectable		 1vq1A-1jpcA:
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.
1VQ1_A_SAMA301_1
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		 3dzw AGGLUTININ
(Narcissus
pseudonarcissus) 		3 / 3 GLY A  46
ASP A  28
ASN A  44
 MAN  A 113 ( 4.7A)
MAN  A 113 (-3.1A)
None
 0.58A 1vq1A-3dzwA:
undetectable		 1vq1A-3dzwA:
15.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WOP_A_FFOA2887_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		6 / 12 MET A  56
TYR A 113
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 1.15A 1wopA-1wsvA:
50.1		 1wopA-1wsvA:
34.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WOP_A_FFOA2887_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		5 / 12 VAL A 115
TYR A 113
ASN A 117
TYR A 197
ARG A 233
 VAL  A 115 (-0.6A)
TYR  A 113 ( 1.3A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 1.48A 1wopA-1wsvA:
50.1		 1wopA-1wsvA:
34.12
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.
1WSV_B_THHB4001_0
(AMINOMETHYLTRANSFERA
SE)		 1hkq REPLICATION PROTEIN
(Pseudomonas
savastanoi) 		5 / 12 THR A  47
LEU A 109
ILE A  48
CYH A  29
LEU A  75
 HG  A1133 ( 4.8A)
None
None
HG  A1135 (-2.3A)
None
 1.36A 1wsvB-1hkqA:
undetectable		 1wsvB-1hkqA:
18.54
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.
1XL6_B_SPMB3001_1
(INWARD RECTIFIER
POTASSIUM CHANNEL)		 5xyi 40S RIBOSOMAL
PROTEIN S21
40S RIBOSOMAL
PROTEIN SA
(Trichomonas
vaginalis) 		4 / 5 ALA V  30
TYR A 137
ALA V  60
GLN A 130
 None
G  21104 ( 4.6A)
G  2 891 ( 3.6A)
A  21131 ( 3.6A)
 1.00A 1xl6A-5xyiV:
undetectable
1xl6B-5xyiV:
undetectable		 1xl6A-5xyiV:
13.95
1xl6B-5xyiV:
13.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XVA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		 4dlk PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT
(Bacillus
anthracis) 		4 / 5 ILE A 266
LEU A 246
ALA A 113
GLU A 110
 ILE  A 266 ( 0.7A)
LEU  A 246 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 110 ( 0.6A)
 1.29A 1xvaA-4dlkA:
2.8
1xvaB-4dlkA:
2.6		 1xvaA-4dlkA:
20.90
1xvaB-4dlkA:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		5 / 12 LEU A1002
GLY A1023
ARG A1034
TYR A1052
LYS A1069
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.1A)
None
None
None
 0.83A 1y4lA-1mc2A:
23.8		 1y4lA-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Y4L_B_SVRB301_1
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		8 / 12 LEU A1002
GLY A1023
GLY A1030
GLY A1033
ARG A1034
LYS A1049
TYR A1052
LYS A1070
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.1A)
IPA  A1135 ( 4.4A)
None
None
None
None
None
 0.62A 1y4lA-1mc2A:
23.8		 1y4lA-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Y4L_B_SVRB301_2
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 11 LEU A1002
LEU A1005
GLY A1032
HIS A1048
TYR A1052
LYS A1070
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
 0.82A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Y4L_B_SVRB301_2
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		9 / 11 LEU A1002
LEU A1005
VAL A1031
GLY A1033
ARG A1034
HIS A1048
LYS A1049
TYR A1052
LYS A1070
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
None
None
None
 0.57A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1Y4L_B_SVRB301_2
(PHOSPHOLIPASE A2
HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		5 / 11 LEU A1005
ARG A1034
HIS A1048
TYR A1052
LYS A1053
 IPA  A1135 ( 4.2A)
None
None
None
None
 1.29A 1y4lB-1mc2A:
23.1		 1y4lB-1mc2A:
75.41
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_2
(POL POLYPROTEIN)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		3 / 3 ASP A  17
VAL A  25
PRO A  76
 None
None
PLM  A1136 (-4.6A)
 0.78A 2avvA-1o8vA:
undetectable		 2avvA-1o8vA:
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.
2BR4_B_SAMB301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3i4k MUCONATE LACTONIZING
ENZYME
(Corynebacterium
glutamicum) 		5 / 12 GLY A  49
ASN A  45
ASP A 116
ALA A 113
ALA A 109
 GLY  A  49 ( 0.0A)
ASN  A  45 ( 0.6A)
ASP  A 116 ( 0.6A)
ALA  A 113 ( 0.0A)
ALA  A 109 ( 0.0A)
 1.28A 2br4B-3i4kA:
undetectable		 2br4B-3i4kA:
19.83
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.
2BXD_B_RWFB2001_1
(SERUM ALBUMIN)		 2r5v PCZA361.1
(Amycolatopsis
orientalis) 		5 / 10 PHE A  29
TRP A  23
LEU A 156
ILE A 322
ALA A 243
 None
None
None
None
CO  A4113 ( 4.4A)
 1.32A 2bxdB-2r5vA:
0.0		 2bxdB-2r5vA:
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.
2BYO_A_LNLA1217_1
(LIPOPROTEIN LPPX)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 VAL A 408
LEU B 674
ILE A 443
LEU A 446
 CLA  A1128 ( 4.6A)
None
None
CLA  A1137 ( 3.6A)
 0.99A 2byoA-4rkuA:
undetectable		 2byoA-4rkuA:
14.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CBR_A_A80A201_1
(PROTEIN (CRABP-I))		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 PHE A  19
THR A  56
VAL A  60
ARG A 129
TYR A 131
 None
A9M  A1136 ( 4.3A)
A9M  A1136 (-4.8A)
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 0.71A 2cbrA-4azpA:
19.7		 2cbrA-4azpA:
33.57
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.
2COI_B_GBNB420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		5 / 10 TYR A 260
TYR A 362
TYR A  96
GLY A 146
ALA A 141
 GAL  A1130 (-4.5A)
None
GAL  A1130 (-4.7A)
None
GAL  A1130 (-4.5A)
 1.34A 2coiA-4iugA:
undetectable
2coiB-4iugA:
undetectable		 2coiA-4iugA:
17.51
2coiB-4iugA:
17.51
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.
2DM6_A_IMNA1401_1
(NADP-DEPENDENT
LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE)		 1gmm CBM6
(Ruminiclostridiu
m
thermocellum) 		5 / 10 TYR A  40
ILE A  32
PRO A 118
GLU A  36
ILE A  35
 None
None
NA  A1131 (-4.5A)
None
NA  A1131 (-4.1A)
 1.37A 2dm6A-1gmmA:
undetectable
2dm6B-1gmmA:
undetectable		 2dm6A-1gmmA:
15.64
2dm6B-1gmmA:
15.64
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.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		 4chg PROBABLE
RIBONUCLEASE VAPC15
(Mycobacterium
tuberculosis) 		4 / 6 TYR A 117
ASP A 116
THR A   5
GLU A  42
 None
MN  A1133 (-3.0A)
None
MG  A1134 ( 3.8A)
 0.99A 2dttB-4chgA:
undetectable
2dttC-4chgA:
undetectable		 2dttB-4chgA:
20.29
2dttC-4chgA:
20.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2FR3_A_REAA300_1
(CELLULAR RETINOIC
ACID BINDING PROTEIN
2)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 PHE A  19
PRO A  41
THR A  56
ARG A 129
TYR A 131
 None
A9M  A1136 ( 4.7A)
A9M  A1136 ( 4.3A)
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 1.02A 2fr3A-4azpA:
19.6		 2fr3A-4azpA:
35.42
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.
2G70_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Cyanidioschyzon
merolae) 		5 / 12 GLN A 634
PHE A 529
VAL A 531
HIS A 532
ALA A 633
 None
None
None
CLA  A1135 (-4.3A)
None
 1.16A 2g70B-6fosA:
undetectable		 2g70B-6fosA:
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.
2G72_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		6 / 12 THR A 480
GLN A 644
PHE A 539
LEU A 484
VAL A 541
HIS A 542
 None
None
CLA  A1136 (-4.7A)
None
None
CLA  A1136 ( 3.3A)
 1.48A 2g72B-4rkuA:
undetectable		 2g72B-4rkuA:
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.
2G72_B_SAMB2002_0
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Cyanidioschyzon
merolae) 		5 / 12 GLN A 634
PHE A 529
VAL A 531
HIS A 532
ALA A 633
 None
None
None
CLA  A1135 (-4.3A)
None
 1.23A 2g72B-6fosA:
undetectable		 2g72B-6fosA:
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.
2JN3_A_JN3A130_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		 2cjt UNC-13 HOMOLOG A
(Rattus
norvegicus) 		4 / 7 PHE A  49
LEU A  26
LEU A  60
GLU A  46
 FMT  A1139 ( 4.3A)
None
None
None
 1.05A 2jn3A-2cjtA:
undetectable		 2jn3A-2cjtA:
24.06
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		5 / 12 ILE A 105
GLU A  73
LEU A  24
TYR A  20
ALA A  76
 None
None
None
None
EDO  A1134 ( 3.9A)
 0.92A 2noaA-4a60A:
undetectable		 2noaA-4a60A:
21.66
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.
2NOA_A_3TCA302_1
(DEOXYCYTIDINE KINASE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 ILE A 107
GLU A  75
LEU A  26
TYR A  22
ALA A  78
 A9M  A1136 (-4.4A)
None
None
None
A9M  A1136 (-3.5A)
 1.12A 2noaA-4azpA:
undetectable		 2noaA-4azpA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_3
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		 3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE
(Salmonella
enterica) 		5 / 12 TYR A1222
ILE A1192
HIS A1260
GLY A1197
ASN A 378
 None
None
CYG  A1135 ( 3.6A)
CYG  A1135 ( 3.8A)
None
 1.49A 2nyrB-3ummA:
3.3		 2nyrB-3ummA:
11.35
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.
2O4P_A_TPVA300_2
(PROTEASE)		 2f4i HYPOTHETICAL PROTEIN
TM0957
(Thermotoga
maritima) 		5 / 9 LEU A 125
GLY A 180
ILE A 213
VAL A 112
ILE A 110
 None
None
None
MLY  A 113 ( 2.9A)
None
 0.97A 2o4pB-2f4iA:
undetectable		 2o4pB-2f4iA:
17.41
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.
2OCF_A_ESTA596_1
(ESTROGEN RECEPTOR)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 10 LEU A 222
ALA A 113
GLU A 116
ARG A 234
LEU A 187
 LEU  A 222 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 116 ( 0.5A)
ARG  A 234 ( 0.6A)
LEU  A 187 ( 0.5A)
 1.25A 2ocfA-3wd7A:
undetectable		 2ocfA-3wd7A:
23.29
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.
2QEO_A_LNRA200_1
(D7R4 PROTEIN)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		5 / 12 GLU A 804
TYR A 342
ILE A 139
VAL A 143
TYR A  96
 CD  A1108 (-2.3A)
GAL  A1130 (-4.2A)
None
None
GAL  A1130 (-4.7A)
 1.43A 2qeoA-4iugA:
undetectable		 2qeoA-4iugA:
8.72
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.
2QHF_A_ACTA502_0
(CHORISMATE SYNTHASE)		 4aud MAJOR ALLERGEN ALT A
1 SUBUNIT
(Alternaria
alternata) 		3 / 3 GLY A  73
ASP A  56
SER A  71
 SO4  A1130 (-3.3A)
None
None
 0.69A 2qhfA-4audA:
undetectable		 2qhfA-4audA:
14.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		6 / 12 PHE A  16
VAL A  25
SER A  54
ASP A  77
ARG A  79
ARG A 127
 PLM  A1136 (-4.7A)
None
PLM  A1136 ( 4.9A)
PLM  A1136 (-3.8A)
PLM  A1136 (-4.6A)
PLM  A1136 (-4.4A)
 1.16A 2qm9A-1o8vA:
23.5		 2qm9A-1o8vA:
36.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		9 / 12 PHE A  16
VAL A  25
SER A  54
SER A  56
THR A  61
ASP A  77
ARG A  79
ARG A 127
TYR A 129
 PLM  A1136 (-4.7A)
None
PLM  A1136 ( 4.9A)
PLM  A1136 ( 3.8A)
None
PLM  A1136 (-3.8A)
PLM  A1136 (-4.6A)
PLM  A1136 (-4.4A)
PLM  A1136 (-4.6A)
 0.54A 2qm9A-1o8vA:
23.5		 2qm9A-1o8vA:
36.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		10 / 12 PHE A  17
VAL A  26
ALA A  34
SER A  56
THR A  61
ASP A  77
ARG A  79
CYH A 118
ARG A 127
TYR A 129
 None
None
NA  A1132 ( 4.0A)
NA  A1132 (-2.9A)
None
EDO  A1134 (-3.7A)
EDO  A1134 ( 4.9A)
None
None
None
 0.79A 2qm9A-4a60A:
24.3		 2qm9A-4a60A:
55.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		10 / 12 PHE A  17
VAL A  26
SER A  56
THR A  61
ALA A  76
ASP A  77
ARG A  79
CYH A 118
ARG A 127
TYR A 129
 None
None
NA  A1132 (-2.9A)
None
EDO  A1134 ( 3.9A)
EDO  A1134 (-3.7A)
EDO  A1134 ( 4.9A)
None
None
None
 0.73A 2qm9A-4a60A:
24.3		 2qm9A-4a60A:
55.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		5 / 12 VAL A  26
ALA A  34
THR A  54
ASP A  77
ARG A  79
 None
NA  A1132 ( 4.0A)
None
EDO  A1134 (-3.7A)
EDO  A1134 ( 4.9A)
 1.11A 2qm9A-4a60A:
24.3		 2qm9A-4a60A:
55.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 PHE A  19
ALA A  37
CYH A 120
ARG A 129
TYR A 131
 None
None
A9M  A1136 ( 3.8A)
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 1.36A 2qm9A-4azpA:
24.3		 2qm9A-4azpA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		11 / 12 PHE A  19
VAL A  28
ALA A  36
SER A  58
THR A  63
ALA A  78
ASP A  79
ARG A  81
CYH A 120
ARG A 129
TYR A 131
 None
None
A9M  A1136 (-3.4A)
A9M  A1136 ( 4.1A)
None
A9M  A1136 (-3.5A)
A9M  A1136 (-4.0A)
None
A9M  A1136 ( 3.8A)
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 0.50A 2qm9A-4azpA:
24.3		 2qm9A-4azpA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		7 / 12 VAL A  28
ALA A  36
SER A  58
ALA A  78
ASP A  79
CYH A 127
TYR A 131
 None
A9M  A1136 (-3.4A)
A9M  A1136 ( 4.1A)
A9M  A1136 (-3.5A)
A9M  A1136 (-4.0A)
None
A9M  A1136 (-4.8A)
 1.25A 2qm9A-4azpA:
24.3		 2qm9A-4azpA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_2
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		4 / 4 TYR A  20
MET A  21
PRO A  39
ILE A 105
 None
EDO  A1134 (-4.5A)
None
None
 0.48A 2qm9A-4a60A:
24.3		 2qm9A-4a60A:
55.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_A_TDZA201_2
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		4 / 4 TYR A  22
MET A  23
PRO A  41
ILE A 107
 None
A9M  A1136 (-3.7A)
A9M  A1136 ( 4.7A)
A9M  A1136 (-4.4A)
 0.63A 2qm9A-4azpA:
24.3		 2qm9A-4azpA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_B_TDZB202_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		5 / 12 PHE A  16
VAL A  25
SER A  54
ARG A  79
ARG A 127
 PLM  A1136 (-4.7A)
None
PLM  A1136 ( 4.9A)
PLM  A1136 (-4.6A)
PLM  A1136 (-4.4A)
 1.13A 2qm9B-1o8vA:
24.2		 2qm9B-1o8vA:
36.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_B_TDZB202_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		8 / 12 PHE A  16
VAL A  25
SER A  54
SER A  56
THR A  61
ARG A  79
ARG A 127
TYR A 129
 PLM  A1136 (-4.7A)
None
PLM  A1136 ( 4.9A)
PLM  A1136 ( 3.8A)
None
PLM  A1136 (-4.6A)
PLM  A1136 (-4.4A)
PLM  A1136 (-4.6A)
 0.58A 2qm9B-1o8vA:
24.2		 2qm9B-1o8vA:
36.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_B_TDZB202_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		8 / 12 PHE A  16
VAL A  25
SER A  54
SER A  56
THR A  61
ILE A 105
ARG A 127
TYR A 129
 PLM  A1136 (-4.7A)
None
PLM  A1136 ( 4.9A)
PLM  A1136 ( 3.8A)
None
None
PLM  A1136 (-4.4A)
PLM  A1136 (-4.6A)
 0.65A 2qm9B-1o8vA:
24.2		 2qm9B-1o8vA:
36.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_B_TDZB202_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		11 / 12 PHE A  17
TYR A  20
VAL A  26
SER A  56
THR A  61
ALA A  76
ARG A  79
ILE A 105
CYH A 118
ARG A 127
TYR A 129
 None
None
None
NA  A1132 (-2.9A)
None
EDO  A1134 ( 3.9A)
EDO  A1134 ( 4.9A)
None
None
None
None
 0.74A 2qm9B-4a60A:
24.4		 2qm9B-4a60A:
55.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_B_TDZB202_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		5 / 12 TYR A  20
VAL A  26
THR A  54
ARG A  79
ILE A 105
 None
None
None
EDO  A1134 ( 4.9A)
None
 1.22A 2qm9B-4a60A:
24.4		 2qm9B-4a60A:
55.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_B_TDZB202_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		11 / 12 PHE A  19
TYR A  22
VAL A  28
SER A  58
THR A  63
ALA A  78
ARG A  81
ILE A 107
CYH A 120
ARG A 129
TYR A 131
 None
None
None
A9M  A1136 ( 4.1A)
None
A9M  A1136 (-3.5A)
None
A9M  A1136 (-4.4A)
A9M  A1136 ( 3.8A)
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 0.50A 2qm9B-4azpA:
25.0		 2qm9B-4azpA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_B_TDZB202_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 TYR A  22
VAL A  28
THR A  56
ARG A  81
ILE A 107
 None
None
A9M  A1136 ( 4.3A)
None
A9M  A1136 (-4.4A)
 1.22A 2qm9B-4azpA:
25.0		 2qm9B-4azpA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_B_TDZB202_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 VAL A  28
SER A  58
ALA A  78
CYH A 127
TYR A 131
 None
A9M  A1136 ( 4.1A)
A9M  A1136 (-3.5A)
None
A9M  A1136 (-4.8A)
 1.22A 2qm9B-4azpA:
25.0		 2qm9B-4azpA:
48.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_B_TDZB202_2
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		4 / 4 MET A  20
PRO A  38
ASP A  77
ARG A 107
 PLM  A1136 (-3.5A)
None
PLM  A1136 (-3.8A)
PLM  A1136 (-3.9A)
 0.48A 2qm9B-1o8vA:
24.2		 2qm9B-1o8vA:
36.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_B_TDZB202_2
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		4 / 4 MET A  21
PRO A  39
ASP A  77
ARG A 107
 EDO  A1134 (-4.5A)
None
EDO  A1134 (-3.7A)
None
 0.88A 2qm9B-4a60A:
24.4		 2qm9B-4a60A:
55.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2QM9_B_TDZB202_2
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		4 / 4 MET A  23
PRO A  41
ASP A  79
ARG A 109
 A9M  A1136 (-3.7A)
A9M  A1136 ( 4.7A)
A9M  A1136 (-4.0A)
None
 0.52A 2qm9B-4azpA:
25.0		 2qm9B-4azpA:
48.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 2r5v PCZA361.1
(Amycolatopsis
orientalis) 		5 / 12 ASN A 292
ILE A 227
ILE A 216
PHE A 318
HIS A 241
 None
None
None
None
CO  A4113 ( 3.4A)
 1.41A 2qmjA-2r5vA:
undetectable		 2qmjA-2r5vA:
17.64
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.
2QO5_A_CHDA131_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		 2r5v PCZA361.1
(Amycolatopsis
orientalis) 		5 / 12 ILE A 317
ILE A 335
ILE A 216
VAL A 203
HIS A 161
 None
HHH  A4114 (-4.3A)
None
None
CO  A4113 ( 3.3A)
 1.04A 2qo5A-2r5vA:
undetectable		 2qo5A-2r5vA:
16.85
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.
2VDY_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 2xgy RELIK CAPSID
N-TERMINAL DOMAIN
(Oryctolagus
cuniculus) 		5 / 12 VAL A 128
PHE A  47
ILE A  52
ASN A  53
PHE A  40
 None
None
None
GOL  A1138 (-3.7A)
None
 1.33A 2vdyA-2xgyA:
undetectable		 2vdyA-2xgyA:
16.81
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.
2VUF_A_FUAA2002_1
(SERUM ALBUMIN)		 5wm9 RV0078
(Mycobacterium
tuberculosis) 		4 / 9 ILE A 113
PHE A  62
VAL A  66
GLU A  67
 ILE  A 113 ( 0.7A)
PHE  A  62 ( 1.3A)
VAL  A  66 ( 0.6A)
GLU  A  67 ( 0.6A)
 0.82A 2vufA-5wm9A:
4.0		 2vufA-5wm9A:
8.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WSC_B_PQNB1773_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		8 / 10 TRP A  55
MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.82A 2wscB-4rkuA:
12.6		 2wscB-4rkuA:
45.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WSE_B_PQNB1774_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		8 / 10 TRP A  55
MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.82A 2wseB-4rkuA:
12.7		 2wseB-4rkuA:
45.30
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		5 / 11 ALA A  40
ALA A 108
HIS A  55
ILE A  25
TRP A 120
 None
None
MN  A1132 (-3.4A)
None
None
 1.17A 2x1lA-4bifA:
undetectable		 2x1lA-4bifA:
15.52
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.
2XAD_E_GCSE710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Cyanidioschyzon
merolae) 		4 / 8 HIS A 605
ILE A 522
HIS A 532
ASP A 528
 CLA  A1135 (-4.3A)
CLA  A1135 ( 4.9A)
CLA  A1135 (-4.3A)
None
 0.98A 2xadA-6fosA:
undetectable		 2xadA-6fosA:
11.54
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.
2XAD_F_GCSF710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Cyanidioschyzon
merolae) 		4 / 8 HIS A 605
ILE A 522
HIS A 532
ASP A 528
 CLA  A1135 (-4.3A)
CLA  A1135 ( 4.9A)
CLA  A1135 (-4.3A)
None
 1.00A 2xadB-6fosA:
undetectable		 2xadB-6fosA:
11.54
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.
2XAD_G_GCSG710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Cyanidioschyzon
merolae) 		4 / 8 HIS A 605
ILE A 522
HIS A 532
ASP A 528
 CLA  A1135 (-4.3A)
CLA  A1135 ( 4.9A)
CLA  A1135 (-4.3A)
None
 1.00A 2xadC-6fosA:
undetectable		 2xadC-6fosA:
11.54
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.
2XAD_H_GCSH710_1
(N-ACYL GLM
PEUDO-TEICOPLANIN
DEACETYLASE
TEICOPLANIN)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Cyanidioschyzon
merolae) 		4 / 8 HIS A 605
ILE A 522
HIS A 532
ASP A 528
 CLA  A1135 (-4.3A)
CLA  A1135 ( 4.9A)
CLA  A1135 (-4.3A)
None
 0.97A 2xadD-6fosA:
undetectable		 2xadD-6fosA:
11.54
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.
2XKW_B_P1BB1475_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 2r5v PCZA361.1
(Amycolatopsis
orientalis) 		5 / 12 ILE A 192
HIS A 241
LEU A 231
ILE A 216
MET A 199
 None
CO  A4113 ( 3.4A)
None
None
None
 1.05A 2xkwB-2r5vA:
undetectable		 2xkwB-2r5vA:
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.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		 2ixq PROTEIN AFAD
(Escherichia
coli) 		4 / 7 VAL A 113
GLY A  68
VAL A  65
ASP A  70
 VAL  A 113 ( 0.5A)
GLY  A  68 ( 0.0A)
VAL  A  65 ( 0.5A)
ASP  A  70 ( 0.4A)
 0.85A 2y05A-2ixqA:
undetectable
2y05B-2ixqA:
undetectable		 2y05A-2ixqA:
17.59
2y05B-2ixqA:
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.
2ZB8_A_IMNA800_1
(PROSTAGLANDIN
REDUCTASE 2)		 3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE
(Salmonella
enterica) 		5 / 9 THR A1175
PHE A1287
TYR A1222
VAL A1134
LEU A1132
 None
None
None
CYG  A1135 ( 2.9A)
None
 1.41A 2zb8A-3ummA:
0.9		 2zb8A-3ummA:
14.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_A_C2FA401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		6 / 12 MET A  56
ASP A 101
TYR A 113
VAL A 115
ASN A 117
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
ARG  A 233 (-0.6A)
 1.11A 3a8iA-1wsvA:
46.8		 3a8iA-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_B_C2FB401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		6 / 12 MET A  56
ASP A 101
TYR A 113
VAL A 115
ASN A 117
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
ARG  A 233 (-0.6A)
 1.12A 3a8iB-1wsvA:
46.2		 3a8iB-1wsvA:
33.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A8I_B_C2FB401_0
(AMINOMETHYLTRANSFERA
SE)		 2wsh ENDONUCLEASE II
(Escherichia
virus
T4) 		5 / 12 TYR A  37
ILE A  39
VAL A  46
ASN A 130
PHE A  92
 PO4  A1133 (-4.7A)
None
None
None
None
 1.31A 3a8iB-2wshA:
undetectable		 3a8iB-2wshA:
18.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_C_C2FC401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		6 / 12 MET A  56
TYR A 113
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 1.16A 3a8iC-1wsvA:
46.4		 3a8iC-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_D_C2FD401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		7 / 12 MET A  56
ASP A 101
TYR A 113
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
TYR  A 113 ( 1.3A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 1.12A 3a8iD-1wsvA:
46.3		 3a8iD-1wsvA:
33.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_B_CHDB1085_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		 2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN
(Porphyromonas
gingivalis) 		5 / 11 GLY A 143
THR A  63
ARG A 113
PHE A  58
GLY A  22
 GLY  A 143 ( 0.0A)
THR  A  63 ( 0.8A)
ARG  A 113 ( 0.6A)
PHE  A  58 ( 1.3A)
GLY  A  22 ( 0.0A)
 0.95A 3ag1A-2nvvA:
0.0
3ag1B-2nvvA:
0.0
3ag1T-2nvvA:
0.0		 3ag1A-2nvvA:
22.39
3ag1B-2nvvA:
18.90
3ag1T-2nvvA:
10.94
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.
3AG4_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		3 / 3 HIS A  96
HIS A  53
HIS A  94
 MN  A1132 (-3.4A)
MN  A1132 (-3.3A)
MN  A1132 (-3.6A)
 0.73A 3ag4A-4bifA:
undetectable		 3ag4A-4bifA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG4_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		3 / 3 HIS A  96
HIS A  53
HIS A  94
 MN  A1132 (-3.4A)
MN  A1132 (-3.3A)
MN  A1132 (-3.6A)
 0.76A 3ag4N-4bifA:
undetectable		 3ag4N-4bifA:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA607_1
(CHITINASE A)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		4 / 7 VAL A  81
SER A  83
HIS A  94
THR A  75
 None
None
CSO  A  63 ( 4.8A)
PLM  A1136 ( 4.9A)
 0.79A 3arrA-1o8vA:
undetectable		 3arrA-1o8vA:
11.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA607_1
(CHITINASE A)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		4 / 7 VAL A  81
SER A  83
HIS A  94
THR A  75
 None
None
None
EDO  A1134 ( 4.9A)
 0.56A 3arrA-4a60A:
undetectable		 3arrA-4a60A:
14.87
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.
3B0W_A_DGXA1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		5 / 12 ALA A 117
ALA A  40
VAL A  42
PHE A  19
HIS A  94
 None
None
None
None
MN  A1132 (-3.6A)
 1.24A 3b0wA-4bifA:
undetectable		 3b0wA-4bifA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 2r5v PCZA361.1
(Amycolatopsis
orientalis) 		5 / 12 LEU A  52
ALA A 243
VAL A  75
PHE A 119
LEU A 166
 None
CO  A4113 ( 4.4A)
None
None
None
 1.34A 3b0wB-2r5vA:
undetectable		 3b0wB-2r5vA:
22.13
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.
3B0W_B_DGXB1_1
(NUCLEAR RECEPTOR
ROR-GAMMA)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		5 / 12 ALA A 117
ALA A  40
VAL A  42
PHE A  19
HIS A  94
 None
None
None
None
MN  A1132 (-3.6A)
 1.24A 3b0wB-4bifA:
undetectable		 3b0wB-4bifA:
19.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJW_A_SVRA508_2
(PHOSPHOLIPASE A2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		5 / 9 GLY A1006
LYS A1007
PRO A1017
LYS A1069
ARG A1072
 IPA  A1136 (-3.6A)
None
IPA  A1136 (-4.4A)
None
None
 1.29A 3bjwG-1mc2A:
20.0		 3bjwG-1mc2A:
56.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJW_C_SVRC505_1
(PHOSPHOLIPASE A2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		5 / 10 GLU A1004
GLY A1006
PRO A1017
LYS A1069
ARG A1072
 None
IPA  A1136 (-3.6A)
IPA  A1136 (-4.4A)
None
None
 1.15A 3bjwD-1mc2A:
19.9		 3bjwD-1mc2A:
56.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJW_G_SVRG506_1
(PHOSPHOLIPASE A2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		4 / 8 GLY A1006
LYS A1007
PRO A1017
ARG A1072
 IPA  A1136 (-3.6A)
None
IPA  A1136 (-4.4A)
None
 0.96A 3bjwA-1mc2A:
20.1		 3bjwA-1mc2A:
56.56
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.
3BSZ_E_RTLE177_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 5ab8 GROUP 1 TRUNCATED
HEMOGLOBIN GLBN
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 122
ALA A  64
ALA A  65
VAL A 126
GLN A  58
 None
ACT  A1130 ( 4.0A)
ACT  A1130 ( 4.0A)
None
HEM  A 144 ( 3.1A)
 1.27A 3bszE-5ab8A:
undetectable		 3bszE-5ab8A:
19.41
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.
3D1X_A_ROCA201_1
(HIV-1 PROTEASE)		 1gmm CBM6
(Ruminiclostridiu
m
thermocellum) 		6 / 12 GLY A  62
ALA A  63
ASP A  64
GLY A 117
ILE A  35
THR A  85
 None
None
None
None
NA  A1131 (-4.1A)
None
 1.47A 3d1xA-1gmmA:
undetectable		 3d1xA-1gmmA:
20.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D91_A_REMA350_1
(RENIN)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		5 / 12 GLN A 490
GLY A 640
SER A 646
ASP A 623
HIS A 615
 None
None
None
None
CLA  A1135 (-3.7A)
 1.28A 3d91A-4rkuA:
undetectable		 3d91A-4rkuA:
18.52
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.
3EKX_B_1UNB201_1
(PROTEASE)		 1gmm CBM6
(Ruminiclostridiu
m
thermocellum) 		6 / 11 GLY A  62
ALA A  63
ASP A  64
GLY A 117
ILE A  35
THR A  85
 None
None
None
None
NA  A1131 (-4.1A)
None
 1.47A 3ekxA-1gmmA:
undetectable		 3ekxA-1gmmA:
18.12
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.
3EL5_B_1UNB201_2
(PROTEASE)		 1gmm CBM6
(Ruminiclostridiu
m
thermocellum) 		6 / 12 GLY A  62
ALA A  63
ASP A  64
GLY A 117
ILE A  35
THR A  85
 None
None
None
None
NA  A1131 (-4.1A)
None
 1.47A 3el5B-1gmmA:
undetectable		 3el5B-1gmmA:
19.57
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.
3ETE_F_H3PF552_1
(GLUTAMATE
DEHYDROGENASE)		 4cx9 CYTOCHROME C, CLASS
II
(Shewanella
frigidimarina) 		4 / 7 ILE A  60
LYS A  65
ILE A   9
TYR A  11
 SO4  A1132 ( 3.9A)
None
HEC  A1129 ( 4.7A)
None
 1.16A 3eteD-4cx9A:
undetectable
3eteF-4cx9A:
undetectable		 3eteD-4cx9A:
14.46
3eteF-4cx9A:
14.46
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.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 5nbs BETA-GLUCOSIDASE
(Neurospora
crassa) 		5 / 11 ALA A 563
LEU A 407
ILE A 578
LEU A 461
THR A 562
 None
None
None
None
NAG  A1130 ( 4.9A)
 1.25A 3fl9C-5nbsA:
undetectable		 3fl9C-5nbsA:
17.61
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.
3FL9_H_TOPH200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 5nbs BETA-GLUCOSIDASE
(Neurospora
crassa) 		5 / 9 ALA A 563
LEU A 407
ILE A 578
LEU A 461
THR A 562
 None
None
None
None
NAG  A1130 ( 4.9A)
 1.30A 3fl9H-5nbsA:
undetectable		 3fl9H-5nbsA:
17.61
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.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 11 GLY A  27
GLY A  25
ASP A  23
ARG A 114
ALA A  97
 NAG  A1133 (-3.3A)
None
None
None
None
 1.10A 3g88A-1whsA:
undetectable		 3g88A-1whsA:
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.
3G88_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 11 GLY A  27
GLY A  25
ASP A  23
ARG A 114
ALA A  97
 NAG  A1133 (-3.3A)
None
None
None
None
 1.10A 3g88B-1whsA:
undetectable		 3g88B-1whsA:
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.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 11 GLY A  27
GLY A  25
ASP A  23
ARG A 114
ALA A  97
 NAG  A1133 (-3.3A)
None
None
None
None
 1.10A 3g89B-1whsA:
undetectable		 3g89B-1whsA:
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.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1whs SERINE
CARBOXYPEPTIDASE II
(Triticum
aestivum) 		5 / 12 GLY A  27
GLY A  25
ASP A  23
ARG A 114
ALA A  97
 NAG  A1133 (-3.3A)
None
None
None
None
 1.08A 3g8bA-1whsA:
undetectable		 3g8bA-1whsA:
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.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		 2r5v PCZA361.1
(Amycolatopsis
orientalis) 		4 / 7 HIS A 241
LEU A 171
PHE A 119
VAL A 122
 CO  A4113 ( 3.4A)
None
None
None
 1.08A 3jwqC-2r5vA:
undetectable		 3jwqC-2r5vA:
20.79
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.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 3cbt PHOSPHATASE SC4828
(Streptomyces
coelicolor) 		4 / 6 ARG A 110
GLY A 112
GLU A 197
GLU A 113
 ARG  A 110 (-0.6A)
GLY  A 112 ( 0.0A)
GLU  A 197 ( 0.6A)
GLU  A 113 (-0.5A)
 1.12A 3k9fA-3cbtA:
undetectable
3k9fB-3cbtA:
undetectable
3k9fD-3cbtA:
undetectable		 3k9fA-3cbtA:
17.64
3k9fB-3cbtA:
17.64
3k9fD-3cbtA:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEE_B_30BB500_2
(GENOME POLYPROTEIN)		 3o52 GDP-MANNOSE
PYROPHOSPHATASE NUDK
(Escherichia
coli) 		3 / 3 PHE A 160
TYR A 183
LEU A 156
 None
NA  A7113 (-3.9A)
None
 0.76A 3keeB-3o52A:
undetectable		 3keeB-3o52A:
19.72
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.
3KEE_D_30BD500_2
(GENOME POLYPROTEIN)		 3o52 GDP-MANNOSE
PYROPHOSPHATASE NUDK
(Escherichia
coli) 		4 / 4 PHE A 160
TYR A 183
VAL A 155
LEU A 156
 None
NA  A7113 (-3.9A)
None
None
 1.02A 3keeD-3o52A:
undetectable		 3keeD-3o52A:
19.72
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.
3KK6_B_CELB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 6 VAL A  83
ILE A  18
ALA A  96
LEU A 113
 VAL  A  83 ( 0.6A)
ILE  A  18 ( 0.7A)
ALA  A  96 ( 0.0A)
LEU  A 113 ( 0.6A)
 0.84A 3kk6B-1wqaA:
undetectable		 3kk6B-1wqaA:
20.24
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.
3KP5_A_KANA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3gnr OS03G0212800 PROTEIN
(Oryza
sativa) 		5 / 11 VAL A 128
ALA A 118
GLU A  73
ASN A 113
ARG A 169
 VAL  A 128 ( 0.6A)
ALA  A 118 ( 0.0A)
GLU  A  73 ( 0.5A)
ASN  A 113 ( 0.6A)
ARG  A 169 ( 0.6A)
 1.41A 3kp5A-3gnrA:
undetectable		 3kp5A-3gnrA:
16.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LW5_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		6 / 9 TRP A  55
MET A 691
PHE A 692
SER A 695
LEU A 725
GLY A 730
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
 1.38A 3lw5A-4rkuA:
42.7		 3lw5A-4rkuA:
99.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		6 / 10 ILE B  21
MET B 662
PHE B 663
SER B 666
LEU B 700
ALA B 705
 CLA  A1131 ( 4.4A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 1.48A 3lw5B-4rkuB:
15.5		 3lw5B-4rkuB:
98.77
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.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		 5nbs BETA-GLUCOSIDASE
(Neurospora
crassa) 		5 / 9 VAL A 533
ILE A 496
ALA A 495
ALA A 563
THR A 562
 None
None
None
None
NAG  A1130 ( 4.9A)
 1.12A 3mdvA-5nbsA:
undetectable		 3mdvA-5nbsA:
11.78
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.
3OCT_A_1N1A663_2
(TYROSINE-PROTEIN
KINASE BTK)		 2xy3 SPBC2
PROPHAGE-DERIVED
DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE
YOSS
(Bacillus
subtilis) 		4 / 5 PHE A  91
ILE A 108
ASN A  87
PHE A  92
 DUP  A1130 (-3.3A)
None
None
None
 1.35A 3octA-2xy3A:
undetectable		 3octA-2xy3A:
19.78
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.
3OHT_A_1N1A2000_1
(P38A)		 2byc BLUE-LIGHT RECEPTOR
OF THE BLUF-FAMILY
(Rhodobacter
sphaeroides) 		5 / 12 ILE A  76
ARG A  65
ILE A  67
ALA A  78
TYR A   9
 None
None
FMN  A1137 ( 4.2A)
None
None
 1.14A 3ohtA-2bycA:
undetectable
3ohtB-2bycA:
undetectable		 3ohtA-2bycA:
19.17
3ohtB-2bycA:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OKX_B_SAMB201_1
(YAEB-LIKE PROTEIN
RPA0152)		 3p8c NCK-ASSOCIATED
PROTEIN 1
(Homo
sapiens) 		5 / 12 LEU B 596
ARG B 594
THR B 701
CYH B 599
LEU B 598
 GOL  B1132 ( 4.3A)
None
None
None
None
 1.30A 3okxB-3p8cB:
undetectable		 3okxB-3p8cB:
10.91
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.
3OLS_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 12 LEU A 222
ALA A 113
GLU A 116
ARG A 234
LEU A 187
 LEU  A 222 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 116 ( 0.5A)
ARG  A 234 ( 0.6A)
LEU  A 187 ( 0.5A)
 1.17A 3olsB-3wd7A:
undetectable		 3olsB-3wd7A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OU7_B_SAMB300_1
(SAM-DEPENDENT
METHYLTRANSFERASE)		 1jzn GALACTOSE-SPECIFIC
LECTIN
(Crotalus
atrox) 		3 / 3 TYR A 100
ASP A 120
ASP A  93
 GAL  A 137 ( 4.1A)
CA  A1138 ( 3.0A)
None
 0.87A 3ou7B-1jznA:
undetectable		 3ou7B-1jznA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		10 / 12 PHE A  16
MET A  20
VAL A  25
PRO A  38
ASP A  77
ARG A  79
ILE A 105
ARG A 107
ARG A 127
TYR A 129
 PLM  A1136 (-4.7A)
PLM  A1136 (-3.5A)
None
None
PLM  A1136 (-3.8A)
PLM  A1136 (-4.6A)
None
PLM  A1136 (-3.9A)
PLM  A1136 (-4.4A)
PLM  A1136 (-4.6A)
 0.55A 3p6gA-1o8vA:
23.7		 3p6gA-1o8vA:
41.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		7 / 12 PHE A  16
MET A  20
VAL A  25
PRO A  38
CYH A 125
ARG A 127
TYR A 129
 PLM  A1136 (-4.7A)
PLM  A1136 (-3.5A)
None
None
None
PLM  A1136 (-4.4A)
PLM  A1136 (-4.6A)
 1.24A 3p6gA-1o8vA:
23.7		 3p6gA-1o8vA:
41.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		10 / 12 MET A  21
VAL A  26
PRO A  39
ASP A  77
ARG A  79
ARG A 107
VAL A 116
CYH A 118
ARG A 127
TYR A 129
 EDO  A1134 (-4.5A)
None
None
EDO  A1134 (-3.7A)
EDO  A1134 ( 4.9A)
None
None
None
None
None
 0.78A 3p6gA-4a60A:
24.2		 3p6gA-4a60A:
56.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		10 / 12 MET A  21
VAL A  26
PRO A  39
ASP A  77
ARG A  79
ILE A 105
VAL A 116
CYH A 118
ARG A 127
TYR A 129
 EDO  A1134 (-4.5A)
None
None
EDO  A1134 (-3.7A)
EDO  A1134 ( 4.9A)
None
None
None
None
None
 0.71A 3p6gA-4a60A:
24.2		 3p6gA-4a60A:
56.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		9 / 12 PHE A  17
MET A  21
VAL A  26
PRO A  39
ASP A  77
ARG A  79
ARG A 107
ARG A 127
TYR A 129
 None
EDO  A1134 (-4.5A)
None
None
EDO  A1134 (-3.7A)
EDO  A1134 ( 4.9A)
None
None
None
 0.86A 3p6gA-4a60A:
24.2		 3p6gA-4a60A:
56.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		9 / 12 PHE A  17
MET A  21
VAL A  26
PRO A  39
ASP A  77
ARG A  79
ILE A 105
ARG A 127
TYR A 129
 None
EDO  A1134 (-4.5A)
None
None
EDO  A1134 (-3.7A)
EDO  A1134 ( 4.9A)
None
None
None
 0.83A 3p6gA-4a60A:
24.2		 3p6gA-4a60A:
56.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		12 / 12 PHE A  19
MET A  23
VAL A  28
PRO A  41
ASP A  79
ARG A  81
ILE A 107
ARG A 109
VAL A 118
CYH A 120
ARG A 129
TYR A 131
 None
A9M  A1136 (-3.7A)
None
A9M  A1136 ( 4.7A)
A9M  A1136 (-4.0A)
None
A9M  A1136 (-4.4A)
None
None
A9M  A1136 ( 3.8A)
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 0.65A 3p6gA-4azpA:
24.1		 3p6gA-4azpA:
50.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6G_A_IZPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		8 / 12 PHE A  19
MET A  23
VAL A  28
PRO A  41
ASP A  79
CYH A 127
ARG A 129
TYR A 131
 None
A9M  A1136 (-3.7A)
None
A9M  A1136 ( 4.7A)
A9M  A1136 (-4.0A)
None
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 1.22A 3p6gA-4azpA:
24.1		 3p6gA-4azpA:
50.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6H_A_IBPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		6 / 7 PHE A  16
MET A  20
ASP A  77
ILE A 105
ARG A 127
TYR A 129
 PLM  A1136 (-4.7A)
PLM  A1136 (-3.5A)
PLM  A1136 (-3.8A)
None
PLM  A1136 (-4.4A)
PLM  A1136 (-4.6A)
 0.58A 3p6hA-1o8vA:
23.7		 3p6hA-1o8vA:
41.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6H_A_IBPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		6 / 7 MET A  21
ASP A  77
ILE A 105
VAL A 116
ARG A 127
TYR A 129
 EDO  A1134 (-4.5A)
EDO  A1134 (-3.7A)
None
None
None
None
 0.56A 3p6hA-4a60A:
24.1		 3p6hA-4a60A:
56.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6H_A_IBPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		5 / 7 PHE A  17
MET A  21
ASP A  77
ARG A 127
TYR A 129
 None
EDO  A1134 (-4.5A)
EDO  A1134 (-3.7A)
None
None
 0.83A 3p6hA-4a60A:
24.1		 3p6hA-4a60A:
56.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3P6H_A_IBPA133_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		7 / 7 PHE A  19
MET A  23
ASP A  79
ILE A 107
VAL A 118
ARG A 129
TYR A 131
 None
A9M  A1136 (-3.7A)
A9M  A1136 (-4.0A)
A9M  A1136 (-4.4A)
None
A9M  A1136 (-4.3A)
A9M  A1136 (-4.8A)
 0.44A 3p6hA-4azpA:
24.1		 3p6hA-4azpA:
50.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PCQ_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		9 / 11 TRP A  55
MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.59A 3pcqB-4rkuA:
33.5		 3pcqB-4rkuA:
45.95
Potential target for repurposing, i.e. matched protein structure has less than 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_A_LLTA261_1
(DEOXYCYTIDINE KINASE)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		5 / 10 GLU A  73
LEU A  24
MET A  21
TYR A  20
GLN A  59
 None
None
EDO  A1134 (-4.5A)
None
EDO  A1134 ( 3.9A)
 1.18A 3qeoA-4a60A:
0.0		 3qeoA-4a60A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S3O_A_DLUA399_1
(PFV INTEGRASE)		 2ktq PROTEIN (LARGE
FRAGMENT OF DNA
POLYMERASE I)
(Thermus
aquaticus) 		4 / 7 ASP A 610
ASP A 785
GLN A 582
GLU A 786
 MG  A 901 (-4.3A)
DCT  A 113 ( 2.4A)
None
None
 1.26A 3s3oA-2ktqA:
undetectable		 3s3oA-2ktqA:
21.61
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.
3S56_A_ROCA201_2
(PROTEASE)		 3p8c NCK-ASSOCIATED
PROTEIN 1
(Homo
sapiens) 		5 / 9 ARG B 343
LEU B 408
ILE B 541
ILE B 405
ILE B 409
 CL  B1131 (-3.8A)
None
None
None
None
 1.04A 3s56B-3p8cB:
undetectable		 3s56B-3p8cB:
6.87
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.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1zu4 FTSY
(Mycoplasma
mycoides) 		3 / 3 GLY A 206
GLY A 208
THR A 210
 SO4  A1130 (-3.8A)
SO4  A1130 (-3.7A)
SO4  A1130 (-3.2A)
 0.37A 3si7B-1zu4A:
undetectable		 3si7B-1zu4A:
23.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SO9_A_017A100_1
(HIV-1 PROTEASE)		 1gmm CBM6
(Ruminiclostridiu
m
thermocellum) 		5 / 8 GLY A  62
ALA A  63
ASP A  64
GLY A 117
ILE A  35
 None
None
None
None
NA  A1131 (-4.1A)
 1.37A 3so9A-1gmmA:
undetectable		 3so9A-1gmmA:
19.42
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.
3SUE_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 3o52 GDP-MANNOSE
PYROPHOSPHATASE NUDK
(Escherichia
coli) 		3 / 3 PHE A 160
TYR A 183
LEU A 156
 None
NA  A7113 (-3.9A)
None
 0.78A 3sueB-3o52A:
undetectable		 3sueB-3o52A:
20.54
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.
3SUG_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 4chg PROBABLE
RIBONUCLEASE VAPC15
(Mycobacterium
tuberculosis) 		5 / 12 VAL A   3
ARG A  92
GLY A 125
ALA A 119
ASP A 116
 None
None
None
None
MN  A1133 (-3.0A)
 1.07A 3sugA-4chgA:
undetectable		 3sugA-4chgA:
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.
3UZZ_B_ASDB501_1
(3-OXO-5-BETA-STEROID
4-DEHYDROGENASE)		 3c2c CYTOCHROME C2
(Rhodospirillum
rubrum) 		4 / 8 TYR A  52
TYR A  48
HIS A  42
LEU A  67
 HEM  A 113 (-4.2A)
HEM  A 113 (-4.2A)
HEM  A 113 (-3.3A)
None
 1.26A 3uzzB-3c2cA:
undetectable		 3uzzB-3c2cA:
15.36
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.
3V4T_A_ACTA505_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 4chg PROBABLE
RIBONUCLEASE VAPC15
ANTITOXIN VAPB15
(Mycobacterium
tuberculosis;
Mycobacterium
tuberculosis) 		3 / 3 THR A   5
ASN G  63
GLU A  42
 None
MG  A1134 ( 4.1A)
MG  A1134 ( 3.8A)
 0.71A 3v4tA-4chgA:
undetectable
3v4tC-4chgA:
undetectable		 3v4tA-4chgA:
18.89
3v4tC-4chgA:
18.89
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.
3V4T_C_ACTC502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 2cjt UNC-13 HOMOLOG A
(Rattus
norvegicus) 		3 / 3 PRO A  93
ASP A 124
GLU A  95
 EDO  A1132 (-3.9A)
EDO  A1132 ( 3.4A)
EDO  A1133 ( 4.5A)
 0.67A 3v4tC-2cjtA:
undetectable		 3v4tC-2cjtA:
16.71
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.
3VXI_A_ASCA502_0
(DYP)		 2w47 LIPOLYTIC ENZYME,
G-D-S-L
(Ruminiclostridiu
m
thermocellum) 		4 / 5 ALA A  66
ASN A  62
ARG A  68
PRO A  69
 None
None
UNF  A1138 (-2.9A)
None
 1.37A 3vxiA-2w47A:
undetectable		 3vxiA-2w47A:
14.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_A_W9TA1001_1
(HEMOLYTIC LECTIN
CEL-III)		 4nen INTEGRIN ALPHA-X
(Homo
sapiens) 		4 / 5 ASP A 515
VAL A 540
GLY A 539
ASP A 511
 CA  A1113 (-2.6A)
None
None
CA  A1113 (-3.2A)
 1.18A 3w9tA-4nenA:
undetectable		 3w9tA-4nenA:
18.41
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.
3W9T_B_W9TB503_1
(HEMOLYTIC LECTIN
CEL-III)		 4nen INTEGRIN ALPHA-X
(Homo
sapiens) 		4 / 5 ASP A 515
VAL A 540
GLY A 539
ASP A 511
 CA  A1113 (-2.6A)
None
None
CA  A1113 (-3.2A)
 1.18A 3w9tB-4nenA:
undetectable		 3w9tB-4nenA:
18.41
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.
3W9T_C_W9TC1001_1
(HEMOLYTIC LECTIN
CEL-III)		 4nen INTEGRIN ALPHA-X
(Homo
sapiens) 		4 / 5 ASP A 515
VAL A 540
GLY A 539
ASP A 511
 CA  A1113 (-2.6A)
None
None
CA  A1113 (-3.2A)
 1.18A 3w9tC-4nenA:
undetectable		 3w9tC-4nenA:
18.41
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.
3W9T_D_W9TD502_1
(HEMOLYTIC LECTIN
CEL-III)		 4nen INTEGRIN ALPHA-X
(Homo
sapiens) 		4 / 5 ASP A 515
VAL A 540
GLY A 539
ASP A 511
 CA  A1113 (-2.6A)
None
None
CA  A1113 (-3.2A)
 1.18A 3w9tD-4nenA:
undetectable		 3w9tD-4nenA:
18.41
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.
3W9T_E_W9TE504_1
(HEMOLYTIC LECTIN
CEL-III)		 4nen INTEGRIN ALPHA-X
(Homo
sapiens) 		4 / 5 ASP A 515
VAL A 540
GLY A 539
ASP A 511
 CA  A1113 (-2.6A)
None
None
CA  A1113 (-3.2A)
 1.18A 3w9tE-4nenA:
undetectable		 3w9tE-4nenA:
18.41
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.
3W9T_E_W9TE506_1
(HEMOLYTIC LECTIN
CEL-III)		 2cjt UNC-13 HOMOLOG A
(Rattus
norvegicus) 		4 / 6 THR A  22
ASN A  66
GLY A  68
ASP A  72
 None
FMT  A1138 (-3.8A)
FMT  A1137 ( 3.1A)
EDO  A1134 (-2.9A)
 1.18A 3w9tE-2cjtA:
undetectable		 3w9tE-2cjtA:
14.86
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.
3W9T_F_W9TF504_1
(HEMOLYTIC LECTIN
CEL-III)		 4nen INTEGRIN ALPHA-X
(Homo
sapiens) 		4 / 5 ASP A 515
VAL A 540
GLY A 539
ASP A 511
 CA  A1113 (-2.6A)
None
None
CA  A1113 (-3.2A)
 1.18A 3w9tF-4nenA:
undetectable		 3w9tF-4nenA:
18.41
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.
3W9T_G_W9TG504_1
(HEMOLYTIC LECTIN
CEL-III)		 4nen INTEGRIN ALPHA-X
(Homo
sapiens) 		4 / 5 ASP A 515
VAL A 540
GLY A 539
ASP A 511
 CA  A1113 (-2.6A)
None
None
CA  A1113 (-3.2A)
 1.19A 3w9tG-4nenA:
undetectable		 3w9tG-4nenA:
18.41
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.
4AE1_B_NCAB1536_0
(DIPHTHERIA TOXIN)		 5gru DIABODY PROTEIN
(Homo
sapiens) 		4 / 5 GLY H  99
TYR H 102
TYR H 100
GLU H 113
 GLY  H  99 ( 0.0A)
TYR  H 102 ( 1.3A)
TYR  H 100 ( 1.3A)
GLU  H 113 ( 0.6A)
 1.20A 4ae1B-5gruH:
3.9		 4ae1B-5gruH:
19.58
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.
4AZV_A_SAMA1474_1
(WBDD)		 6b0n ENVELOPE
GLYCOPROTEIN GP140
(Human
immunodeficiency
virus
1) 		4 / 6 ARG G 151
ASP G 180
GLN G 422
GLU G 370
 NAG  G1133 ( 4.0A)
None
None
None
 0.96A 4azvA-6b0nG:
undetectable		 4azvA-6b0nG:
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.
4B53_B_ACTB1445_0
(IG GAMMA-4 CHAIN C
REGION)		 2cjt UNC-13 HOMOLOG A
(Rattus
norvegicus) 		3 / 3 GLU A  90
GLY A  92
SER A  88
 None
EDO  A1132 (-3.5A)
None
 0.68A 4b53B-2cjtA:
2.9		 4b53B-2cjtA:
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.
4BLV_A_SAMA1281_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 2cbm NEOCARZINOSTATIN
(Streptomyces
carzinostaticus) 		5 / 12 LEU A  26
GLY A 102
LEU A  97
ASP A  99
GLY A 107
 None
MES  A1113 (-4.5A)
None
None
MES  A1113 ( 4.2A)
 1.14A 4blvA-2cbmA:
undetectable		 4blvA-2cbmA:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_A_X8ZA350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		6 / 9 HIS A 101
ASP A 103
HIS A 162
CYH A 181
ASN A 193
HIS A 223
 ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 (-4.1A)
113  A2002 ( 3.6A)
 0.37A 4c1dA-1hlkA:
32.5		 4c1dA-1hlkA:
32.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		7 / 10 HIS A  99
HIS A 101
ASP A 103
HIS A 162
CYH A 181
ASN A 193
HIS A 223
 ZN  A1001 (-3.4A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 (-4.1A)
113  A2002 ( 3.6A)
 0.40A 4c1dB-1hlkA:
32.6		 4c1dB-1hlkA:
32.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		7 / 11 TRP A  49
HIS A  99
HIS A 101
ASP A 103
HIS A 162
CYH A 181
HIS A 223
 113  A2002 (-3.9A)
ZN  A1001 (-3.4A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 ( 3.6A)
 0.56A 4c1fA-1hlkA:
15.2
4c1fB-1hlkA:
32.3		 4c1fA-1hlkA:
35.65
4c1fB-1hlkA:
35.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		7 / 9 HIS A  99
HIS A 101
ASP A 103
HIS A 162
CYH A 181
GLY A 192
HIS A 223
 ZN  A1001 (-3.4A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 ( 3.8A)
113  A2002 ( 3.6A)
 0.50A 4c1hA-1hlkA:
35.2		 4c1hA-1hlkA:
34.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_C_PXLC300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 5w0a GLUCANASE
(Trichoderma
harzianum) 		4 / 8 GLY A 113
ASP A 117
GLY A 116
VAL A  33
 GLY  A 113 ( 0.0A)
ASP  A 117 ( 0.5A)
GLY  A 116 ( 0.0A)
VAL  A  33 ( 0.6A)
 0.78A 4c5nC-5w0aA:
undetectable		 4c5nC-5w0aA:
14.45
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.
4D7B_B_TCWB1126_1
(TRANSTHYRETIN)		 3gwm HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 THR A 120
ALA A 122
SER A 113
THR A 115
 THR  A 120 ( 0.8A)
ALA  A 122 ( 0.0A)
SER  A 113 ( 0.0A)
THR  A 115 (-0.8A)
 0.82A 4d7bA-3gwmA:
undetectable		 4d7bA-3gwmA:
22.70
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.
4E1G_A_LNLA701_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2ooc HISTIDINE
PHOSPHOTRANSFERASE
(Caulobacter
vibrioides) 		4 / 5 ARG A  76
VAL A  87
LEU A  84
SER A  83
 None
None
PG4  A 113 ( 4.7A)
GOL  A 114 (-3.8A)
 1.34A 4e1gA-2oocA:
undetectable		 4e1gA-2oocA:
10.82
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.
4EXS_A_X8ZA301_1
(BETA-LACTAMASE NDM-1)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		6 / 9 VAL A  52
HIS A 101
ASP A 103
HIS A 162
CYH A 181
HIS A 223
 113  A2002 ( 4.9A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 ( 3.6A)
 0.42A 4exsA-1hlkA:
31.8		 4exsA-1hlkA:
27.34
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		7 / 8 VAL A  52
HIS A 101
ASP A 103
HIS A 162
CYH A 181
ASN A 193
HIS A 223
 113  A2002 ( 4.9A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 (-4.1A)
113  A2002 ( 3.6A)
 0.55A 4exsB-1hlkA:
32.2		 4exsB-1hlkA:
27.34
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.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 2r5v PCZA361.1
(Amycolatopsis
orientalis) 		4 / 8 ASP A 160
VAL A 203
LEU A 303
HIS A 161
 None
None
None
CO  A4113 ( 3.3A)
 0.97A 4f5zA-2r5vA:
undetectable		 4f5zA-2r5vA:
23.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FE1_B_PQNB840_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		7 / 9 MET A 691
SER A 695
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.66A 4fe1B-4rkuA:
33.4		 4fe1B-4rkuA:
45.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0V_A_MIXA1301_1
(DNA TOPOISOMERASE
2-BETA)		 1uzd RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN 1, RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN 2
(Chlamydomonas
reinhardtii;
Spinacia
oleracea) 		4 / 7 ARG C  78
GLY C  76
ILE C  39
ASN C 106
 None
EDO  C1136 (-3.4A)
EDO  C1136 (-4.3A)
None
 1.10A 4g0vA-1uzdC:
undetectable		 4g0vA-1uzdC:
10.80
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.
4IJI_H_BEZH501_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN YIBF)		 2xgy RELIK CAPSID
N-TERMINAL DOMAIN
(Oryctolagus
cuniculus) 		4 / 7 ASN A  57
VAL A 128
TYR A 124
ARG A 103
 GOL  A1138 (-4.0A)
None
None
GOL  A1138 (-4.0A)
 0.91A 4ijiH-2xgyA:
undetectable		 4ijiH-2xgyA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLR_A_CHDA505_0
(FERROCHELATASE,
MITOCHONDRIAL)		 6ezy -
(-) 		4 / 5 LEU A 110
PRO A 109
LEU A 113
ILE A 179
 LEU  A 110 ( 0.6A)
PRO  A 109 ( 1.1A)
LEU  A 113 ( 0.6A)
ILE  A 179 ( 0.7A)
 0.84A 4klrA-6ezyA:
undetectable		 4klrA-6ezyA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KT0_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		7 / 9 TRP A  55
MET A 691
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.50A 4kt0B-4rkuA:
37.8		 4kt0B-4rkuA:
46.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L6V_1_PQN12001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		10 / 11 TRP A  55
MET A 691
PHE A 692
SER A 695
GLY A 696
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 4.1A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
 0.32A 4l6v1-4rkuA:
43.3
4l6v6-4rkuA:
2.0		 4l6v1-4rkuA:
81.00
4l6v6-4rkuA:
11.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L6V_2_PQN22002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		7 / 9 TRP A  55
MET A 691
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.59A 4l6v2-4rkuA:
39.9		 4l6v2-4rkuA:
46.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L6V_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		8 / 9 TRP A  55
MET A 691
PHE A 692
SER A 695
TRP A 700
ALA A 724
LEU A 725
GLY A 730
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
 0.28A 4l6va-4rkuA:
43.3
4l6vf-4rkuA:
undetectable		 4l6va-4rkuA:
81.00
4l6vf-4rkuA:
11.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L6V_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		7 / 9 TRP A  55
MET A 691
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.56A 4l6vB-4rkuA:
34.0		 4l6vB-4rkuA:
46.81
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.
4LNW_A_T3A502_1
(THYROID HORMONE
RECEPTOR ALPHA)		 4chg ANTITOXIN VAPB15
PROBABLE
RIBONUCLEASE VAPC15
(Mycobacterium
tuberculosis) 		4 / 8 SER A   6
GLU G  67
VAL A 110
THR A 128
 None
MN  A1133 ( 1.9A)
None
None
 0.85A 4lnwA-4chgA:
undetectable		 4lnwA-4chgA:
22.87
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.
4LNX_A_T44A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		 4chg ANTITOXIN VAPB15
PROBABLE
RIBONUCLEASE VAPC15
(Mycobacterium
tuberculosis) 		4 / 6 SER A   6
GLU G  67
VAL A 110
THR A 128
 None
MN  A1133 ( 1.9A)
None
None
 0.96A 4lnxA-4chgA:
undetectable		 4lnxA-4chgA:
22.87
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.
4LUH_A_ACTA608_0
(SERUM ALBUMIN)		 1wly 2-HALOACRYLATE
REDUCTASE
(Burkholderia
sp.
WS) 		4 / 4 PRO A 113
ASP A 115
LEU A 116
ARG A  87
 PRO  A 113 ( 1.1A)
ASP  A 115 ( 0.5A)
LEU  A 116 ( 0.6A)
ARG  A  87 ( 0.6A)
 1.42A 4luhA-1wlyA:
0.0		 4luhA-1wlyA:
19.24
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		4 / 8 SER A  42
SER A  54
HIS A 223
ILE A  46
 NA  A2001 ( 4.6A)
NA  A2001 ( 4.9A)
113  A2002 ( 3.6A)
113  A2002 (-4.1A)
 1.35A 4ms4A-1hlkA:
undetectable		 4ms4A-1hlkA:
21.23
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.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		5 / 12 HIS A 545
GLY A 366
THR A 552
MET A 400
THR A 369
 CLA  A1135 (-3.9A)
None
CLA  A1124 (-3.5A)
CLA  A1124 (-3.6A)
CLA  A1127 (-3.3A)
 1.33A 4mubA-4rkuA:
undetectable		 4mubA-4rkuA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N16_A_CHDA301_0
(CARBONIC ANHYDRASE 2)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		4 / 8 GLN A  98
PHE A  73
THR A  56
THR A  63
 None
None
A9M  A1136 ( 4.3A)
None
 0.82A 4n16A-4azpA:
undetectable		 4n16A-4azpA:
19.07
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.
4N49_A_SAMA601_1
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 2yil MICRONEME ANTIGEN L2
(Sarcocystis
muris) 		4 / 4 ASN A  52
GLY A  70
ASP A   6
ASP A  13
 None
None
None
GOL  A1137 (-4.1A)
 1.29A 4n49A-2yilA:
undetectable		 4n49A-2yilA:
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.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2
(Vibrio
cholerae) 		5 / 12 ASN A 110
GLY A 312
ILE A 190
GLY A 216
PHE A 214
 None
SCY  A 113 ( 3.1A)
None
None
None
 1.20A 4obwA-4x0oA:
undetectable		 4obwA-4x0oA:
22.86
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.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 4x0o 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 2
(Vibrio
cholerae) 		5 / 12 ASN A 110
GLY A 312
ILE A 190
GLY A 216
PHE A 214
 None
SCY  A 113 ( 3.1A)
None
None
None
 1.23A 4obwC-4x0oA:
undetectable		 4obwC-4x0oA:
22.86
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.
4OKX_A_198A1002_1
(ANDROGEN RECEPTOR)		 5fmt FLAGELLAR ASSOCIATED
PROTEIN
(Chlamydomonas
reinhardtii) 		5 / 12 LEU A  54
LEU A 113
VAL A  85
THR A  48
VAL A  18
 None
None
SO4  A1131 ( 4.8A)
None
None
 1.14A 4okxA-5fmtA:
undetectable		 4okxA-5fmtA:
21.72
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.
4P6S_A_DAHA304_1
(TYROSINASE)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Cyanidioschyzon
merolae) 		4 / 5 ASN A 455
LEU A 451
HIS A 454
THR A 471
 None
CLA  A1132 (-4.5A)
CLA  A1132 (-3.6A)
None
 1.42A 4p6sA-6fosA:
undetectable		 4p6sA-6fosA:
15.00
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.
4POO_B_SAMB301_0
(PUTATIVE RNA
METHYLASE)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		5 / 12 THR A 348
GLY A 346
HIS A  68
ASN A 349
SER A 942
 None
None
None
None
NAG  A1132 (-3.6A)
 1.38A 4pooB-4iugA:
undetectable		 4pooB-4iugA:
11.47
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.
4PWJ_B_30ZB201_1
(TRANSTHYRETIN)		 3gwm HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Mycolicibacteriu
m
smegmatis) 		4 / 7 THR A 120
ALA A 122
SER A 113
THR A 115
 THR  A 120 ( 0.8A)
ALA  A 122 ( 0.0A)
SER  A 113 ( 0.0A)
THR  A 115 (-0.8A)
 0.79A 4pwjB-3gwmA:
undetectable		 4pwjB-3gwmA:
20.99
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.
4Q15_B_HFGB803_0
(PROLINE--TRNA LIGASE)		 2mcm MACROMOMYCIN
(Streptomyces
macromomyceticus) 		5 / 12 PRO A  27
THR A  26
GLU A 103
SER A 101
GLY A  98
 None
None
None
None
MRD  A 113 ( 4.3A)
 1.28A 4q15B-2mcmA:
undetectable		 4q15B-2mcmA:
10.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QZT_A_ACTA202_0
(RETINOL-BINDING
PROTEIN 2)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		4 / 6 TYR A  20
GLU A  73
THR A  75
GLN A  96
 None
None
EDO  A1134 ( 4.9A)
None
 0.80A 4qztA-4a60A:
19.7		 4qztA-4a60A:
30.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QZU_C_ACTC202_0
(RETINOL-BINDING
PROTEIN 2)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		4 / 6 TYR A  20
GLU A  73
THR A  75
GLN A  96
 None
None
EDO  A1134 ( 4.9A)
None
 0.81A 4qzuC-4a60A:
19.9		 4qzuC-4a60A:
30.77
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.
4RYA_A_MTLA501_1
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		 3kbb PHOSPHORYLATED
CARBOHYDRATES
PHOSPHATASE TM_1254
(Thermotoga
maritima) 		3 / 3 GLU A 113
TYR A  19
GLU A  47
 GLU  A 113 ( 0.6A)
TYR  A  19 ( 1.3A)
GLU  A  47 (-0.6A)
 0.82A 4ryaA-3kbbA:
undetectable		 4ryaA-3kbbA:
17.65
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.
4UCK_B_SAMB2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		5 / 12 GLY A 516
GLY A 517
SER A 510
ALA A 507
ALA A 499
 None
None
None
CLA  A1133 ( 4.6A)
CLA  A1133 ( 3.7A)
 1.10A 4uckB-4rkuA:
undetectable		 4uckB-4rkuA:
20.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XK8_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		8 / 10 TRP A  55
MET A 691
SER A 695
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.63A 4xk8B-4rkuA:
38.7		 4xk8B-4rkuA:
45.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y28_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		7 / 9 TRP A  55
MET A 691
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.54A 4y28B-4rkuA:
34.0		 4y28B-4rkuA:
45.49
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.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 2mcm MACROMOMYCIN
(Streptomyces
macromomyceticus) 		5 / 12 PRO A  27
THR A  26
GLU A 103
SER A 101
GLY A  98
 None
None
None
None
MRD  A 113 ( 4.3A)
 1.31A 4ydqB-2mcmA:
undetectable		 4ydqB-2mcmA:
10.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YV5_A_SVRA205_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		4 / 6 LYS A1007
ASN A1016
PRO A1017
ARG A1072
 None
None
IPA  A1136 (-4.4A)
None
 0.67A 4yv5B-1mc2A:
24.2		 4yv5B-1mc2A:
77.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4YV5_B_SVRB207_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		4 / 6 LYS A1007
ASN A1016
PRO A1017
ARG A1072
 None
None
IPA  A1136 (-4.4A)
None
 0.63A 4yv5A-1mc2A:
23.9		 4yv5A-1mc2A:
77.24
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.
4Z53_H_TR6H101_1
(DNA TOPOISOMERASE 4
SUBUNIT B,DNA
TOPOISOMERASE 4
SUBUNIT A
E-SITE DNA)		 4csb VIRULENCE ASSOCIATED
PROTEIN VAPD
(Rhodococcus
hoagii) 		4 / 7 GLY A  59
ASP A  60
GLY A 132
GLU A 134
 None
BOG  A1135 (-4.4A)
None
None
 0.88A 4z53A-4csbA:
undetectable
4z53B-4csbA:
undetectable		 4z53A-4csbA:
10.65
4z53B-4csbA:
10.65
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.
4ZBQ_A_ACTA605_0
(SERUM ALBUMIN)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 6 TYR A  96
GLY A 136
GLU A 198
ASN A 199
 GAL  A1130 (-4.7A)
None
None
GAL  A1130 (-3.5A)
 1.12A 4zbqA-4iugA:
undetectable		 4zbqA-4iugA:
20.12
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.
4ZE2_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 5 ALA A 570
TYR A 571
HIS A 432
PRO A 509
 SEP  A 569 ( 3.7A)
NAG  A1138 (-4.9A)
None
None
 1.10A 4ze2A-4iugA:
undetectable		 4ze2A-4iugA:
20.27
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		7 / 8 VAL A  52
HIS A 101
ASP A 103
HIS A 162
CYH A 181
ASN A 193
HIS A 223
 113  A2002 ( 4.9A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 (-4.1A)
113  A2002 ( 3.6A)
 0.40A 5a5zA-1hlkA:
32.5		 5a5zA-1hlkA:
29.76
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		5 / 7 HIS A 162
CYH A 181
GLY A 192
ASN A 193
HIS A 223
 ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 ( 3.8A)
113  A2002 (-4.1A)
113  A2002 ( 3.6A)
 0.50A 5a5zC-1hlkA:
32.2		 5a5zC-1hlkA:
29.76
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		4 / 7 HIS A 162
LYS A 184
GLY A 192
ASN A 193
 ZN  A1001 (-3.3A)
113  A2002 (-3.6A)
113  A2002 ( 3.8A)
113  A2002 (-4.1A)
 0.82A 5a5zC-1hlkA:
32.2		 5a5zC-1hlkA:
29.76
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.
5AMI_B_EF2B151_1
(CEREBLON ISOFORM 4)		 6az1 RIBOSOMAL PROTEIN
S7E
(Leishmania
donovani) 		4 / 8 ASN I 191
PRO I 192
SER I 198
TRP I 190
 None
None
U  11361 ( 3.7A)
U  11361 ( 3.6A)
 1.36A 5amiB-6az1I:
undetectable		 5amiB-6az1I:
17.21
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.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		5 / 11 HIS A  99
HIS A 101
ASP A 103
HIS A 162
HIS A 223
 ZN  A1001 (-3.4A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
113  A2002 ( 3.6A)
 0.80A 5ayaA-1hlkA:
18.7		 5ayaA-1hlkA:
21.33
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.
5C0O_E_SAME301_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
TRMI)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		5 / 12 GLY A 364
GLY A 115
GLY A 113
ALA A 358
HIS A 116
 GLY  A 364 ( 0.0A)
GLY  A 115 ( 0.0A)
GLY  A 113 ( 0.0A)
ALA  A 358 ( 0.0A)
HIS  A 116 ( 1.0A)
 1.07A 5c0oE-5ep8A:
undetectable		 5c0oE-5ep8A:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		 3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE
(Citrus
x
microcarpa) 		5 / 10 LEU A 222
ALA A 113
GLU A 116
ARG A 234
LEU A 187
 LEU  A 222 ( 0.6A)
ALA  A 113 ( 0.0A)
GLU  A 116 ( 0.5A)
ARG  A 234 ( 0.6A)
LEU  A 187 ( 0.5A)
 1.23A 5dxbA-3wd7A:
undetectable		 5dxbA-3wd7A:
22.83
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.
5DZK_P_BEZP801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1jzn GALACTOSE-SPECIFIC
LECTIN
(Crotalus
atrox) 		4 / 5 SER A  42
ALA A  41
HIS A  44
LEU A  13
 NA  A1139 (-2.9A)
None
None
None
 1.21A 5dzkb-1jznA:
undetectable
5dzkp-1jznA:
undetectable		 5dzkb-1jznA:
18.02
5dzkp-1jznA:
15.38
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.
5DZK_P_BEZP801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 5 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.03A 5dzkb-2y1bA:
undetectable
5dzkp-2y1bA:
undetectable		 5dzkb-2y1bA:
20.72
5dzkp-2y1bA:
2.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1jzn GALACTOSE-SPECIFIC
LECTIN
(Crotalus
atrox) 		4 / 6 SER A  42
ALA A  41
HIS A  44
LEU A  13
 NA  A1139 (-2.9A)
None
None
None
 1.25A 5dzkB-1jznA:
undetectable
5dzkP-1jznA:
undetectable		 5dzkB-1jznA:
18.02
5dzkP-1jznA:
15.38
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.
5DZK_P_BEZP801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 6 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.02A 5dzkB-2y1bA:
undetectable
5dzkP-2y1bA:
undetectable		 5dzkB-2y1bA:
20.72
5dzkP-2y1bA:
2.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_Q_BEZQ801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1jzn GALACTOSE-SPECIFIC
LECTIN
(Crotalus
atrox) 		4 / 5 SER A  42
ALA A  41
HIS A  44
LEU A  13
 NA  A1139 (-2.9A)
None
None
None
 1.20A 5dzkc-1jznA:
undetectable
5dzkq-1jznA:
undetectable		 5dzkc-1jznA:
18.02
5dzkq-1jznA:
15.38
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.
5DZK_Q_BEZQ801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 5 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.02A 5dzkc-2y1bA:
undetectable
5dzkq-2y1bA:
undetectable		 5dzkc-2y1bA:
20.72
5dzkq-2y1bA:
2.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_R_BEZR801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1jzn GALACTOSE-SPECIFIC
LECTIN
(Crotalus
atrox) 		4 / 7 SER A  42
ALA A  41
HIS A  44
LEU A  13
 NA  A1139 (-2.9A)
None
None
None
 1.02A 5dzkD-1jznA:
undetectable
5dzkR-1jznA:
undetectable		 5dzkD-1jznA:
18.02
5dzkR-1jznA:
15.38
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.
5DZK_R_BEZR801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 7 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.02A 5dzkD-2y1bA:
undetectable
5dzkR-2y1bA:
undetectable		 5dzkD-2y1bA:
20.72
5dzkR-2y1bA:
2.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_T_BEZT801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1jzn GALACTOSE-SPECIFIC
LECTIN
(Crotalus
atrox) 		4 / 5 SER A  42
ALA A  41
HIS A  44
LEU A  13
 NA  A1139 (-2.9A)
None
None
None
 1.02A 5dzkf-1jznA:
undetectable
5dzkt-1jznA:
undetectable		 5dzkf-1jznA:
18.02
5dzkt-1jznA:
15.38
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.
5DZK_T_BEZT801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 5 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.03A 5dzkf-2y1bA:
undetectable
5dzkt-2y1bA:
undetectable		 5dzkf-2y1bA:
20.72
5dzkt-2y1bA:
2.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_T_BEZT801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1jzn GALACTOSE-SPECIFIC
LECTIN
(Crotalus
atrox) 		4 / 8 SER A  42
ALA A  41
HIS A  44
LEU A  13
 NA  A1139 (-2.9A)
None
None
None
 1.15A 5dzkF-1jznA:
undetectable
5dzkT-1jznA:
undetectable		 5dzkF-1jznA:
18.02
5dzkT-1jznA:
15.38
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.
5DZK_U_BEZU801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1jzn GALACTOSE-SPECIFIC
LECTIN
(Crotalus
atrox) 		4 / 6 SER A  42
ALA A  41
HIS A  44
LEU A  13
 NA  A1139 (-2.9A)
None
None
None
 1.16A 5dzkg-1jznA:
undetectable
5dzku-1jznA:
undetectable		 5dzkg-1jznA:
18.02
5dzku-1jznA:
15.38
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.
5DZK_U_BEZU801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 2y1b PUTATIVE OUTER
MEMBRANE PROTEIN,
SIGNAL
(Escherichia
coli) 		4 / 6 SER A 127
ALA A 128
HIS A 107
MET A  92
 None
None
I3C  A1133 (-3.6A)
None
 1.03A 5dzkg-2y1bA:
undetectable
5dzku-2y1bA:
undetectable		 5dzkg-2y1bA:
20.72
5dzku-2y1bA:
2.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EWU_B_BEZB1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 3p8c NCK-ASSOCIATED
PROTEIN 1
(Homo
sapiens) 		5 / 6 GLY B 911
THR B 908
SER B 915
VAL B 912
HIS B1030
 None
CL  B1130 ( 4.7A)
None
None
None
 1.27A 5ewuB-3p8cB:
undetectable		 5ewuB-3p8cB:
17.38
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.
5GSM_A_GCSA801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		5 / 12 TYR A  96
GLU A 142
GLU A 200
GLU A 298
TYR A 342
 GAL  A1130 (-4.7A)
GAL  A1130 ( 2.8A)
GAL  A1130 (-2.4A)
GAL  A1130 (-2.4A)
GAL  A1130 (-4.2A)
 0.68A 5gsmA-4iugA:
31.2		 5gsmA-4iugA:
23.43
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.
5GSM_B_GCSB801_1
(EXO-BETA-D-GLUCOSAMI
NIDASE)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		5 / 12 TYR A  96
GLU A 142
GLU A 200
GLU A 298
TYR A 342
 GAL  A1130 (-4.7A)
GAL  A1130 ( 2.8A)
GAL  A1130 (-2.4A)
GAL  A1130 (-2.4A)
GAL  A1130 (-4.2A)
 0.68A 5gsmB-4iugA:
32.1		 5gsmB-4iugA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		5 / 12 PHE A  17
TYR A  20
ALA A  34
ILE A  52
SER A  56
 None
None
NA  A1132 ( 4.0A)
None
NA  A1132 (-2.9A)
 0.62A 5h8tA-4a60A:
19.2		 5h8tA-4a60A:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 PHE A  19
TYR A  22
LEU A  32
ALA A  36
SER A  58
 None
None
A9M  A1136 ( 4.1A)
A9M  A1136 (-3.4A)
A9M  A1136 ( 4.1A)
 0.80A 5h8tA-4azpA:
20.7		 5h8tA-4azpA:
33.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		7 / 12 PHE A  17
TYR A  20
VAL A  26
ALA A  34
PRO A  39
ILE A  52
SER A  56
 None
None
None
NA  A1132 ( 4.0A)
None
None
NA  A1132 (-2.9A)
 0.63A 5hbsA-4a60A:
19.0		 5hbsA-4a60A:
30.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 PHE A  19
TYR A  22
VAL A  28
ALA A  36
SER A  58
 None
None
None
A9M  A1136 (-3.4A)
A9M  A1136 ( 4.1A)
 0.77A 5hbsA-4azpA:
20.6		 5hbsA-4azpA:
33.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 TYR A  22
VAL A  28
LEU A  32
ALA A  36
SER A  58
 None
None
A9M  A1136 ( 4.1A)
A9M  A1136 (-3.4A)
A9M  A1136 ( 4.1A)
 0.87A 5hbsA-4azpA:
20.6		 5hbsA-4azpA:
33.10
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.
5IGY_A_ERYA403_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 6 ASP A  80
ILE A  85
TYR A 379
TYR A 603
 None
None
None
NAG  A1137 (-4.7A)
 1.48A 5igyA-4iugA:
2.3		 5igyA-4iugA:
14.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5JS5_A_ASCA202_0
(CYTOCHROME C')		 4cx9 CYTOCHROME C, CLASS
II
(Shewanella
frigidimarina) 		3 / 3 CYH A 118
LYS A 119
HIS A 122
 HEC  A1129 (-1.9A)
None
NO  A1130 (-4.8A)
 0.31A 5js5A-4cx9A:
19.8		 5js5A-4cx9A:
42.52
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.
5KMF_A_6U9A1301_1
(ION TRANSPORT
PROTEIN)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 6 THR B 720
GLY B 653
PHE B 652
ILE A 462
 CLA  B9010 (-3.5A)
None
BCR  A6017 ( 4.5A)
CLA  A1132 ( 4.1A)
 0.94A 5kmfA-4rkuB:
undetectable
5kmfC-4rkuB:
2.9		 5kmfA-4rkuB:
17.30
5kmfC-4rkuB:
17.30
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.
5KXI_A_NCTA402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 TYR B 670
THR A 552
CYH A 450
LEU A 446
 CLA  B9023 (-4.2A)
CLA  A1124 (-3.5A)
CLA  B9023 (-4.2A)
CLA  A1137 ( 3.6A)
 1.44A 5kxiA-4rkuB:
2.6
5kxiB-4rkuB:
4.3		 5kxiA-4rkuB:
19.84
5kxiB-4rkuB:
18.41
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.
5KXI_D_NCTD402_1
(NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4
NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 TYR B 670
THR A 552
CYH A 450
LEU A 446
 CLA  B9023 (-4.2A)
CLA  A1124 (-3.5A)
CLA  B9023 (-4.2A)
CLA  A1137 ( 3.6A)
 1.41A 5kxiD-4rkuB:
2.7
5kxiE-4rkuB:
4.3		 5kxiD-4rkuB:
19.84
5kxiE-4rkuB:
18.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L8R_B_PQNB841_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		7 / 9 TRP A  55
MET A 691
SER A 695
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.73A 5l8rB-4rkuA:
34.1		 5l8rB-4rkuA:
46.00
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.
5LF3_H_BO2H306_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		 2wp4 MOLYBDOPTERIN-CONVER
TING FACTOR SUBUNIT
2 1
(Mycobacterium
tuberculosis) 		5 / 10 ALA A  28
GLU A  24
ALA A 105
GLY A 104
ALA A  86
 None
GOL  A1138 (-2.7A)
None
None
None
 1.11A 5lf3H-2wp4A:
undetectable
5lf3I-2wp4A:
undetectable		 5lf3H-2wp4A:
21.49
5lf3I-2wp4A:
21.53
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.
5LF3_V_BO2V303_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		 2wp4 MOLYBDOPTERIN-CONVER
TING FACTOR SUBUNIT
2 1
(Mycobacterium
tuberculosis) 		5 / 10 ALA A  28
GLU A  24
ALA A 105
GLY A 104
ALA A  86
 None
GOL  A1138 (-2.7A)
None
None
None
 1.14A 5lf3V-2wp4A:
undetectable
5lf3W-2wp4A:
undetectable		 5lf3V-2wp4A:
21.49
5lf3W-2wp4A:
21.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		5 / 12 PHE A  17
TYR A  20
ALA A  34
PRO A  39
SER A  56
 None
None
NA  A1132 ( 4.0A)
None
NA  A1132 (-2.9A)
 0.79A 5ljbA-4a60A:
19.3		 5ljbA-4a60A:
32.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 PHE A  19
TYR A  22
LEU A  32
ALA A  36
SER A  58
 None
None
A9M  A1136 ( 4.1A)
A9M  A1136 (-3.4A)
A9M  A1136 ( 4.1A)
 0.98A 5ljbA-4azpA:
20.6		 5ljbA-4azpA:
34.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4a60 FATTY ACID-BINDING
PROTEIN 9 TESTIS
LIPID-BINDING
PROTEIN, TLBP,
TESTIS-TYPE FATTY
ACID-BINDING
PROTEIN, T-FABP
(Homo
sapiens) 		5 / 12 PHE A  17
TYR A  20
ALA A  34
PRO A  39
SER A  56
 None
None
NA  A1132 ( 4.0A)
None
NA  A1132 (-2.9A)
 0.78A 5ljcA-4a60A:
19.4		 5ljcA-4a60A:
32.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 4azp FATTY ACID-BINDING
PROTEIN, EPIDERMAL
(Mus
musculus) 		5 / 12 PHE A  19
TYR A  22
LEU A  32
ALA A  36
SER A  58
 None
None
A9M  A1136 ( 4.1A)
A9M  A1136 (-3.4A)
A9M  A1136 ( 4.1A)
 0.99A 5ljcA-4azpA:
20.8		 5ljcA-4azpA:
34.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		 1o8v FATTY ACID BINDING
PROTEIN HOMOLOG
(Echinococcus
granulosus) 		5 / 12 PHE A  16
PRO A  38
LEU A  40
SER A  56
PHE A  58
 PLM  A1136 (-4.7A)
None
None
PLM  A1136 ( 3.8A)
PLM  A1136 ( 4.9A)
 1.09A 5ljeA-1o8vA:
19.9		 5ljeA-1o8vA:
32.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LUR_B_STRB201_1
(AVIDIN)		 4bx7 STREPTAVIDIN
(Streptomyces
avidinii) 		5 / 11 TYR A  43
ALA A  45
TRP A  79
THR A  90
TRP A 108
 MPD  A1134 (-4.7A)
None
MPD  A1134 (-4.4A)
MPD  A1134 (-3.1A)
MPD  A1134 (-3.8A)
 0.49A 5lurB-4bx7A:
15.9		 5lurB-4bx7A:
29.66
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.
5MRA_B_DM2B204_1
(SORCIN)		 2cjt UNC-13 HOMOLOG A
(Rattus
norvegicus) 		4 / 6 PHE A  20
THR A  22
ASP A  72
GLY A  68
 None
None
EDO  A1134 (-2.9A)
FMT  A1137 ( 3.1A)
 1.03A 5mraA-2cjtA:
undetectable
5mraB-2cjtA:
undetectable		 5mraA-2cjtA:
23.16
5mraB-2cjtA:
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.
5MXB_A_ML1A220_1
(CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		5 / 9 TYR A 603
LEU A  72
TYR A 987
THR A 985
VAL A 983
 NAG  A1137 (-4.7A)
None
None
None
None
 1.40A 5mxbA-4iugA:
undetectable		 5mxbA-4iugA:
5.77
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.
5N5D_B_SAMB303_1
(METHYLTRANSFERASE)		 2ymz GALECTIN 2
(Gallus
gallus) 		4 / 7 GLY A 121
PHE A  31
SER A  25
ASN A 118
 None
None
SO4  A1132 ( 3.9A)
None
 1.01A 5n5dB-2ymzA:
undetectable		 5n5dB-2ymzA:
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.
5NNW_D_GCSD302_1
(25 KDA PROTEIN
ELICITOR)		 4nen INTEGRIN ALPHA-X
(Homo
sapiens) 		4 / 7 ASP A 519
GLY A 539
HIS A 538
ASP A 511
 CA  A1113 (-2.0A)
None
None
CA  A1113 (-3.2A)
 1.05A 5nnwD-4nenA:
undetectable		 5nnwD-4nenA:
5.76
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.
5O96_G_SAMG501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 11 LEU A 115
GLY A  15
LEU A 113
THR A   7
ALA A   6
 LEU  A 115 ( 0.6A)
GLY  A  15 ( 0.0A)
LEU  A 113 ( 0.6A)
THR  A   7 ( 0.8A)
ALA  A   6 ( 0.0A)
 1.03A 5o96G-3ab7A:
undetectable		 5o96G-3ab7A:
26.04
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.
5O96_H_SAMH501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 10 LEU A 115
GLY A  15
LEU A 113
THR A   7
ALA A   6
 LEU  A 115 ( 0.6A)
GLY  A  15 ( 0.0A)
LEU  A 113 ( 0.6A)
THR  A   7 ( 0.8A)
ALA  A   6 ( 0.0A)
 1.08A 5o96G-3ab7A:
undetectable
5o96H-3ab7A:
2.0		 5o96G-3ab7A:
26.04
5o96H-3ab7A:
26.04
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.
5OEX_A_CUA602_0
(THIOCYANATE
DEHYDROGENASE)		 4dvk E(RNS) GLYCOPROTEIN
(Pestivirus
A) 		3 / 3 LYS A  80
HIS A  76
HIS A  81
 SO4  A1112 (-2.5A)
SO4  A1113 ( 3.9A)
SO4  A1112 (-3.7A)
 1.38A 5oexA-4dvkA:
undetectable		 5oexA-4dvkA:
16.49
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.
5OEX_B_CUB602_0
(THIOCYANATE
DEHYDROGENASE)		 4dvk E(RNS) GLYCOPROTEIN
(Pestivirus
A) 		3 / 3 LYS A  80
HIS A  76
HIS A  81
 SO4  A1112 (-2.5A)
SO4  A1113 ( 3.9A)
SO4  A1112 (-3.7A)
 1.38A 5oexB-4dvkA:
undetectable		 5oexB-4dvkA:
16.49
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.
5OEX_C_CUC603_0
(THIOCYANATE
DEHYDROGENASE)		 4dvk E(RNS) GLYCOPROTEIN
(Pestivirus
A) 		3 / 3 LYS A  80
HIS A  76
HIS A  81
 SO4  A1112 (-2.5A)
SO4  A1113 ( 3.9A)
SO4  A1112 (-3.7A)
 1.39A 5oexC-4dvkA:
undetectable		 5oexC-4dvkA:
16.49
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.
5OEX_D_CUD603_0
(THIOCYANATE
DEHYDROGENASE)		 4dvk E(RNS) GLYCOPROTEIN
(Pestivirus
A) 		3 / 3 LYS A  80
HIS A  76
HIS A  81
 SO4  A1112 (-2.5A)
SO4  A1113 ( 3.9A)
SO4  A1112 (-3.7A)
 1.39A 5oexD-4dvkA:
undetectable		 5oexD-4dvkA:
16.49
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		9 / 12 TRP A  55
MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.57A 5oy02-4rkuA:
34.1		 5oy02-4rkuA:
12.42
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		9 / 12 ILE B  21
MET B 662
PHE B 663
SER B 666
TRP B 667
ARG B 668
TRP B 671
LEU B 700
ALA B 705
 CLA  A1131 ( 4.4A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 1.48A 5oy02-4rkuB:
43.3		 5oy02-4rkuB:
11.41
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.
5OY0_B_PQNB1844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		8 / 10 MET A 691
PHE A 692
SER A 695
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.65A 5oy0b-4rkuA:
34.2		 5oy0b-4rkuA:
7.78
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.
5TE8_A_08JA602_1
(CYTOCHROME P450 3A4)		 2w6l COBE
(Pseudomonas
aeruginosa) 		4 / 7 SER A  98
ALA A 131
THR A  31
LEU A  27
 SO4  A1138 (-2.5A)
None
None
None
 0.84A 5te8A-2w6lA:
undetectable		 5te8A-2w6lA:
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.
5TE8_B_08JB602_1
(CYTOCHROME P450 3A4)		 2w6l COBE
(Pseudomonas
aeruginosa) 		4 / 8 SER A  98
ALA A 131
THR A  31
LEU A  27
 SO4  A1138 (-2.5A)
None
None
None
 0.79A 5te8B-2w6lA:
undetectable		 5te8B-2w6lA:
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.
5TE8_C_08JC602_1
(CYTOCHROME P450 3A4)		 2w6l COBE
(Pseudomonas
aeruginosa) 		4 / 7 SER A  98
ALA A 131
THR A  31
LEU A  27
 SO4  A1138 (-2.5A)
None
None
None
 0.82A 5te8C-2w6lA:
undetectable		 5te8C-2w6lA:
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.
5TT3_G_EZLG303_1
(ALPHA-CARBONIC
ANHYDRASE)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		5 / 9 HIS A  94
HIS A  96
HIS A  53
VAL A 118
ALA A 108
 MN  A1132 (-3.6A)
MN  A1132 (-3.4A)
MN  A1132 (-3.3A)
None
None
 1.49A 5tt3G-4bifA:
undetectable		 5tt3G-4bifA:
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.
5UC1_B_486B801_1
(GLUCOCORTICOID
RECEPTOR)		 2xgy RELIK CAPSID
N-TERMINAL DOMAIN
(Oryctolagus
cuniculus) 		3 / 3 TRP A  22
MET A  54
ASN A  57
 None
None
GOL  A1138 (-4.0A)
 1.48A 5uc1A-2xgyA:
undetectable		 5uc1A-2xgyA:
23.24
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.
5VKQ_C_PCFC1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 3eqz RESPONSE REGULATOR
(Colwellia
psychrerythraea) 		4 / 8 SER A 120
PHE A  26
VAL A 113
ILE A  50
 SER  A 120 ( 0.0A)
PHE  A  26 ( 1.3A)
VAL  A 113 ( 0.6A)
ILE  A  50 ( 0.7A)
 1.11A 5vkqB-3eqzA:
undetectable
5vkqC-3eqzA:
undetectable		 5vkqB-3eqzA:
5.66
5vkqC-3eqzA:
5.66
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.
5VLM_C_CVIC301_0
(REGULATORY PROTEIN
TETR)		 5dm6 50S RIBOSOMAL
PROTEIN L13
(Deinococcus
radiodurans) 		5 / 12 MET G 134
ALA G 130
GLU G 124
LEU G 148
VAL G  88
 G  X1137 ( 4.0A)
G  X1138 ( 3.2A)
None
None
None
 1.45A 5vlmC-5dm6G:
undetectable		 5vlmC-5dm6G:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_H_CVIH301_0
(REGULATORY PROTEIN
TETR)		 5dm6 50S RIBOSOMAL
PROTEIN L13
(Deinococcus
radiodurans) 		5 / 12 MET G 134
ALA G 130
GLU G 124
LEU G 148
VAL G  88
 G  X1137 ( 4.0A)
G  X1138 ( 3.2A)
None
None
None
 1.33A 5vlmH-5dm6G:
undetectable		 5vlmH-5dm6G:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VLM_H_CVIH301_1
(REGULATORY PROTEIN
TETR)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum;
Pisum
sativum) 		4 / 8 GLY A 698
ILE A 704
GLN A 721
ASP B 540
 None
CLA  A1139 ( 4.5A)
None
None
 1.01A 5vlmH-4rkuA:
undetectable		 5vlmH-4rkuA:
13.77
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.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 2vzp EXO-BETA-D-GLUCOSAMI
NIDASE
(Amycolatopsis
orientalis) 		4 / 7 ASN A  21
HIS A  22
GLY A 119
ASN A 121
 None
None
None
EDO  A1130 (-3.4A)
 1.03A 5x7pA-2vzpA:
8.7		 5x7pA-2vzpA:
6.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 2vzp EXO-BETA-D-GLUCOSAMI
NIDASE
(Amycolatopsis
orientalis) 		4 / 7 ASN A  21
HIS A  22
TRP A  90
ASN A 121
 None
None
None
EDO  A1130 (-3.4A)
 0.33A 5x7pA-2vzpA:
8.7		 5x7pA-2vzpA:
6.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 7 ASP A 998
TRP A1051
GLY A1081
ASN A1083
 GLC  A1113 (-4.0A)
GLC  A1112 (-3.6A)
GLC  A1113 (-3.2A)
GLC  A1112 (-2.9A)
 0.93A 5x7pA-5f7uA:
20.9		 5x7pA-5f7uA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_A_ACRA1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 7 HIS A 985
TRP A1051
GLY A1081
ASN A1083
 GLC  A1112 (-3.9A)
GLC  A1112 (-3.6A)
GLC  A1113 (-3.2A)
GLC  A1112 (-2.9A)
 0.52A 5x7pA-5f7uA:
20.9		 5x7pA-5f7uA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_B_ACRB1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 5 ASP A 998
TRP A1051
GLY A1081
ASN A1083
 GLC  A1113 (-4.0A)
GLC  A1112 (-3.6A)
GLC  A1113 (-3.2A)
GLC  A1112 (-2.9A)
 0.91A 5x7pB-5f7uA:
22.7		 5x7pB-5f7uA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_B_ACRB1431_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5f7u CYCLOALTERNAN-FORMIN
G ENZYME
(Listeria
monocytogenes) 		4 / 5 HIS A 985
TRP A1051
GLY A1081
ASN A1083
 GLC  A1112 (-3.9A)
GLC  A1112 (-3.6A)
GLC  A1113 (-3.2A)
GLC  A1112 (-2.9A)
 0.51A 5x7pB-5f7uA:
22.7		 5x7pB-5f7uA:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X80_A_SALA201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 5 VAL A 319
PRO A 261
GLY A 263
TYR A 260
 None
None
None
GAL  A1130 (-4.5A)
 1.00A 5x80A-4iugA:
undetectable
5x80B-4iugA:
undetectable		 5x80A-4iugA:
10.46
5x80B-4iugA:
10.46
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 6 PRO A 261
GLY A 263
TYR A 260
LEU A 318
 None
None
GAL  A1130 (-4.5A)
None
 0.95A 5x80A-4iugA:
undetectable
5x80B-4iugA:
undetectable		 5x80A-4iugA:
10.46
5x80B-4iugA:
10.46
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.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 7 VAL A 319
PRO A 261
GLY A 263
TYR A 260
 None
None
None
GAL  A1130 (-4.5A)
 1.01A 5x80C-4iugA:
undetectable
5x80D-4iugA:
undetectable		 5x80C-4iugA:
10.46
5x80D-4iugA:
10.46
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.
5X80_D_SALD201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 5 PRO A 261
GLY A 263
TYR A 260
VAL A 319
 None
None
GAL  A1130 (-4.5A)
None
 0.97A 5x80C-4iugA:
undetectable
5x80D-4iugA:
undetectable		 5x80C-4iugA:
10.46
5x80D-4iugA:
10.46
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.
5XDH_C_DAHC60_1
(PUTATIVE CYTOCHROME
C)		 2bj8 NICKEL RESPONSIVE
REGULATOR
(Pyrococcus
horikoshii) 		4 / 6 HIS A  89
ASN A  63
VAL A  69
LEU A  74
 NI  A1137 (-3.3A)
None
None
None
 1.10A 5xdhA-2bj8A:
undetectable
5xdhC-2bj8A:
undetectable		 5xdhA-2bj8A:
19.57
5xdhC-2bj8A:
19.57
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.
5ZGB_B_PQNB844_1
(PSAB)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		7 / 9 ILE A  54
TRP A  55
MET A 691
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A1101 ( 3.9A)
CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 1.13A 5zgbB-4rkuA:
39.3		 5zgbB-4rkuA:
6.70
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.
5ZGB_B_PQNB844_1
(PSAB)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		8 / 9 ILE B  21
TRP B  22
MET B 662
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  A1131 ( 4.4A)
CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 1.13A 5zgbB-4rkuB:
44.1		 5zgbB-4rkuB:
9.29
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.
5ZGB_B_PQNB844_1
(PSAB)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		8 / 9 ILE B  21
TRP B  22
MET B 662
TRP B 667
ARG B 668
ALA B 699
LEU B 700
ALA B 705
 CLA  A1131 ( 4.4A)
CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
None
None
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.57A 5zgbB-4rkuB:
44.1		 5zgbB-4rkuB:
9.29
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.
5ZGH_B_PQNB843_1
(PSAB)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		7 / 9 ILE A  54
TRP A  55
MET A 691
ARG A 697
TRP A 700
ALA A 724
LEU A 725
 CLA  A1101 ( 3.9A)
CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 1.13A 5zghB-4rkuA:
33.3		 5zghB-4rkuA:
6.70
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.
5ZGH_B_PQNB843_1
(PSAB)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		7 / 9 ILE B  21
TRP B  22
MET B 662
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  A1131 ( 4.4A)
CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 1.22A 5zghB-4rkuB:
41.1		 5zghB-4rkuB:
9.29
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.
5ZGH_B_PQNB843_1
(PSAB)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		8 / 9 ILE B  21
TRP B  22
MET B 662
TRP B 667
ARG B 668
ALA B 699
LEU B 700
ALA B 705
 CLA  A1131 ( 4.4A)
CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
None
None
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.61A 5zghB-4rkuB:
41.1		 5zghB-4rkuB:
9.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		6 / 8 HIS A 101
ASP A 103
HIS A 162
CYH A 181
ASN A 193
HIS A 223
 ZN  A1001 (-3.3A)
ZN  A1002 ( 3.3A)
ZN  A1001 (-3.3A)
ZN  A1002 ( 2.1A)
113  A2002 (-4.1A)
113  A2002 ( 3.6A)
 0.51A 5zj8A-1hlkA:
14.4		 5zj8A-1hlkA:
30.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		9 / 10 MET A 691
PHE A 692
SER A 695
GLY A 696
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 4.1A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.49A 5zjiA-4rkuA:
51.6
5zjiJ-4rkuA:
undetectable		 5zjiA-4rkuA:
98.04
5zjiJ-4rkuA:
5.65
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.
5ZJI_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		7 / 10 TRP A  55
MET A 691
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.66A 5zjiB-4rkuA:
40.2		 5zjiB-4rkuA:
7.05
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.
5ZRD_A_CUA607_0
(TYROSINASE)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		3 / 3 HIS A  53
HIS A  94
HIS A  55
 MN  A1132 (-3.3A)
MN  A1132 (-3.6A)
MN  A1132 (-3.4A)
 0.46A 5zrdA-4bifA:
undetectable		 5zrdA-4bifA:
13.64
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.
5ZRD_A_CUA607_0
(TYROSINASE)		 5fq0 KDGF
(Halomonas
sp.) 		3 / 3 HIS B  48
HIS B  89
HIS B  50
 FLC  B1114 ( 3.3A)
NI  B1113 ( 3.3A)
NI  B1113 ( 3.3A)
 0.42A 5zrdA-5fq0B:
undetectable		 5zrdA-5fq0B:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZRD_B_CUB606_0
(TYROSINASE)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		4 / 5 HIS A  53
HIS A  96
HIS A  94
HIS A  55
 MN  A1132 (-3.3A)
MN  A1132 (-3.4A)
MN  A1132 (-3.6A)
MN  A1132 (-3.4A)
 1.07A 5zrdB-4bifA:
undetectable		 5zrdB-4bifA:
13.64
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.
5ZRD_C_CUC604_0
(TYROSINASE)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		4 / 4 HIS A  53
HIS A  96
HIS A  94
HIS A  55
 MN  A1132 (-3.3A)
MN  A1132 (-3.4A)
MN  A1132 (-3.6A)
MN  A1132 (-3.4A)
 1.05A 5zrdC-4bifA:
undetectable		 5zrdC-4bifA:
13.64
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.
5ZRD_D_CUD607_0
(TYROSINASE)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		4 / 4 HIS A  53
HIS A  96
HIS A  94
HIS A  55
 MN  A1132 (-3.3A)
MN  A1132 (-3.4A)
MN  A1132 (-3.6A)
MN  A1132 (-3.4A)
 1.05A 5zrdD-4bifA:
undetectable		 5zrdD-4bifA:
13.64
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.
6BKL_G_EU7G101_0
(MATRIX PROTEIN 2)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		5 / 9 ALA A 113
ALA A 253
GLY A 122
ALA A 255
GLY A  92
 ALA  A 113 ( 0.0A)
ALA  A 253 ( 0.0A)
GLY  A 122 ( 0.0A)
ALA  A 255 ( 0.0A)
GLY  A  92 ( 0.0A)
 1.19A 6bklE-4w65A:
undetectable
6bklF-4w65A:
undetectable
6bklG-4w65A:
undetectable
6bklH-4w65A:
undetectable		 6bklE-4w65A:
5.73
6bklF-4w65A:
5.73
6bklG-4w65A:
5.73
6bklH-4w65A:
5.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_1
()		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 8 LEU A1002
LEU A1005
GLY A1033
ARG A1034
LYS A1049
TYR A1052
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
 0.78A 6ce2A-1mc2A:
23.1		 6ce2A-1mc2A:
72.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_1
()		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 8 LEU A1002
LEU A1005
GLY A1033
LYS A1049
TYR A1052
LYS A1069
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
None
None
None
None
 0.64A 6ce2A-1mc2A:
23.1		 6ce2A-1mc2A:
72.13
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.
6CE2_B_SVRB202_1
()		 1wqa PHOSPHO-SUGAR MUTASE
(Pyrococcus
horikoshii) 		4 / 8 LEU A  34
LEU A  33
LEU A 113
GLY A 119
 LEU  A  34 ( 0.6A)
LEU  A  33 ( 0.6A)
LEU  A 113 ( 0.6A)
GLY  A 119 ( 0.0A)
 0.77A 6ce2A-1wqaA:
undetectable		 6ce2A-1wqaA:
11.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_2
(-)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 12 LEU A1002
GLY A1023
GLY A1030
GLY A1033
ARG A1034
LYS A1049
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.1A)
IPA  A1135 ( 4.4A)
None
None
None
 1.27A 6ce2B-1mc2A:
22.7		 6ce2B-1mc2A:
72.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_2
(-)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		5 / 12 LEU A1002
GLY A1023
GLY A1030
GLY A1033
LYS A1049
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.1A)
IPA  A1135 ( 4.4A)
None
None
 0.94A 6ce2B-1mc2A:
22.7		 6ce2B-1mc2A:
72.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_2
(-)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 12 LEU A1002
LEU A1005
GLY A1023
GLY A1030
GLY A1033
TYR A1052
 IPA  A1136 ( 4.7A)
IPA  A1135 ( 4.2A)
IPA  A1135 ( 4.1A)
IPA  A1135 ( 4.4A)
None
None
 0.88A 6ce2B-1mc2A:
22.7		 6ce2B-1mc2A:
72.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6CE2_B_SVRB202_2
(-)		 1mc2 ACUTOHAEMONLYSIN
(Deinagkistrodon
acutus) 		6 / 12 LEU A1005
GLY A1023
GLY A1030
GLY A1033
ARG A1034
TYR A1052
 IPA  A1135 ( 4.2A)
IPA  A1135 ( 4.1A)
IPA  A1135 ( 4.4A)
None
None
None
 0.54A 6ce2B-1mc2A:
22.7		 6ce2B-1mc2A:
72.13
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.
6DEB_B_MTXB303_1
(BIFUNCTIONAL PROTEIN
FOLD)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Cyanidioschyzon
merolae) 		4 / 5 TYR A 368
GLN A 383
GLY A 507
ILE A 522
 None
None
None
CLA  A1135 ( 4.9A)
 1.45A 6debB-6fosA:
undetectable		 6debB-6fosA:
21.35
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.
6EKZ_A_SNPA413_0
(AROMATIC
PEROXYGENASE)		 2vbt RIBOFLAVIN KINASE
(Methanocaldococc
us
jannaschii) 		4 / 7 ASP A 122
GLY A  16
SER A  13
GLY A  14
 None
CDP  A1137 ( 3.2A)
None
CDP  A1137 (-3.6A)
 0.90A 6ekzA-2vbtA:
undetectable		 6ekzA-2vbtA:
18.38
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.
6FI4_B_DVAB8_0
(14-3-3 PROTEIN SIGMA
PRO-SEP-LEU-PRO-DVA)		 5xxu RIBOSOMAL PROTEIN
US17
(Toxoplasma
gondii) 		4 / 5 SER L  67
VAL L  66
ASN L 141
PRO L 133
 A  2 113 ( 2.6A)
None
None
U  2 335 ( 3.5A)
 1.17A 6fi4A-5xxuL:
undetectable
6fi4B-5xxuL:
undetectable		 6fi4A-5xxuL:
19.51
6fi4B-5xxuL:
20.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6FOS_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		6 / 6 TRP A  55
MET A 691
GLY A 696
TRP A 700
ALA A 724
LEU A 725
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 ( 4.1A)
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.65A 6fosA-4rkuA:
43.0		 6fosA-4rkuA:
86.67
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.
6FOS_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 2w3j CARBOHYDRATE BINDING
MODULE
(uncultured
bacterium) 		4 / 6 ARG A  67
ALA A 119
LEU A 118
ALA A 112
 CA  A1138 ( 4.5A)
None
None
None
 1.05A 6fosB-2w3jA:
undetectable		 6fosB-2w3jA:
19.57
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.
6GH9_A_MIXA1003_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15)		 1hlk BETA-LACTAMASE, TYPE
II
(Bacteroides
fragilis) 		4 / 5 ASN A  55
GLY A 192
HIS A 223
ASP A 103
 None
113  A2002 ( 3.8A)
113  A2002 ( 3.6A)
ZN  A1002 ( 3.3A)
 0.96A 6gh9A-1hlkA:
undetectable		 6gh9A-1hlkA:
16.16
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 1v15 COLICIN E9
(Escherichia
coli) 		3 / 3 HIS A 102
HIS A 131
HIS A 127
 ZN  A1132 (-3.2A)
ZN  A1132 (-3.3A)
ZN  A1132 (-3.4A)
 0.73A 6giqa-1v15A:
undetectable		 6giqa-1v15A:
12.16
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		3 / 3 HIS A  96
HIS A  53
HIS A  94
 MN  A1132 (-3.4A)
MN  A1132 (-3.3A)
MN  A1132 (-3.6A)
 0.76A 6giqa-4bifA:
undetectable		 6giqa-4bifA:
12.36
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.
6HQB_A_PQNA2001_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		9 / 10 TRP A  55
MET A 691
SER A 695
GLY A 696
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730
 CLA  A1139 (-4.1A)
CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 4.1A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
 0.30A 6hqbA-4rkuA:
50.2
6hqbJ-4rkuA:
undetectable		 6hqbA-4rkuA:
23.53
6hqbJ-4rkuA:
6.88
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.
6HQB_B_PQNB2002_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		7 / 9 MET A 691
SER A 695
ARG A 697
TRP A 700
ILE A 704
ALA A 724
LEU A 725
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.5A)
None
PQN  A5001 ( 3.4A)
CLA  A1139 ( 4.5A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
 0.65A 6hqbB-4rkuA:
33.8		 6hqbB-4rkuA:
12.42
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.
6HU9_H_PCFH604_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 2w6l COBE
(Pseudomonas
aeruginosa) 		4 / 8 GLY A  50
GLY A  14
SER A  47
ALA A  46
 GOL  A1141 (-4.5A)
SO4  A1138 ( 3.7A)
None
None
 0.75A 6hu9H-2w6lA:
undetectable
6hu9e-2w6lA:
undetectable		 6hu9H-2w6lA:
16.90
6hu9e-2w6lA:
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.
6QGB_B_BEZB802_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		5 / 10 GLY A  97
LEU A  61
ALA A 108
PHE A  44
HIS A  53
 None
None
None
None
MN  A1132 (-3.3A)
 1.01A 6qgbB-4bifA:
undetectable		 6qgbB-4bifA:
15.08
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.
6QGB_D_BEZD701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		5 / 10 GLY A  97
LEU A  61
ALA A 108
PHE A  44
HIS A  53
 None
None
None
None
MN  A1132 (-3.3A)
 0.99A 6qgbD-4bifA:
undetectable		 6qgbD-4bifA:
15.08
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.
6QGB_F_BEZF701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 4bif CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN
(Granulicella
tundricola) 		5 / 10 GLY A  97
LEU A  61
ALA A 108
PHE A  44
HIS A  53
 None
None
None
None
MN  A1132 (-3.3A)
 1.02A 6qgbF-4bifA:
undetectable		 6qgbF-4bifA:
15.08