SIMILAR PATTERNS OF AMINO ACIDS FOR 1D4S_A_TPVA201

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1bu8 PROTEIN (PANCREATIC
LIPASE RELATED
PROTEIN 2)

(Rattus
norvegicus) 		PF00151
(Lipase)
PF01477
(PLAT) 		5 LEU A 281
ASP A 200
VAL A 325
GLY A 316
PRO A 300
 None
 1.23A 1d4sA-1bu8A:
undetectable		 1d4sA-1bu8A:
13.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
VAL A  32
GLY A  48
PRO A  81
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.3A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
 1.08A 1d4sA-1hvcA:
14.0		 1d4sA-1hvcA:
97.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 ( 3.9A)
 0.59A 1d4sA-1hvcA:
14.0		 1d4sA-1hvcA:
97.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 ( 4.7A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 0.44A 1d4sA-1hvcA:
14.0		 1d4sA-1hvcA:
97.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 1.49A 1d4sA-1hvcA:
14.0		 1d4sA-1hvcA:
97.98
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.
1i74 PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
mutans) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 LEU A 265
ALA A 217
ASP A 203
VAL A 219
ILE A 202
 None
None
MG  A 403 ( 4.3A)
None
None
 1.19A 1d4sA-1i74A:
undetectable		 1d4sA-1i74A:
15.81
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.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli) 		PF00677
(Lum_binding) 		5 ALA A  88
ASP A  92
ILE A  94
GLY A   4
PRO A 186
 None
 1.13A 1d4sA-1i8dA:
undetectable		 1d4sA-1i8dA:
22.33
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.
1k20 MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
gordonii) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 LEU A 267
ALA A 219
ASP A 205
VAL A 221
ILE A 204
 None
None
GOL  A 710 (-3.6A)
GOL  A 710 (-4.2A)
GOL  A 710 ( 4.7A)
 1.15A 1d4sA-1k20A:
undetectable		 1d4sA-1k20A:
15.76
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.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)

(Oryctolagus
cuniculus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A 391
ALA A  97
ILE A 112
GLY A  60
PHE A 286
 None
 1.16A 1d4sA-1lxtA:
undetectable		 1d4sA-1lxtA:
12.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
 None
 0.45A 1d4sA-1q9pA:
10.3		 1d4sA-1q9pA:
92.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryn PROTEIN CRS2

(Zea mays) 		PF01195
(Pept_tRNA_hydro) 		5 ASP A  95
ASP A  94
VAL A  24
ILE A 137
GLY A 101
 ASP  A  95 ( 0.6A)
ASP  A  94 ( 0.6A)
VAL  A  24 ( 0.5A)
ILE  A 137 ( 0.6A)
GLY  A 101 ( 0.0A)
 1.19A 1d4sA-1rynA:
undetectable		 1d4sA-1rynA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A  91
ASP A 147
VAL A 148
ILE A 102
GLY A 100
 None
 1.18A 1d4sA-1s5jA:
undetectable		 1d4sA-1s5jA:
7.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 None
 0.50A 1d4sA-1sivA:
18.2		 1d4sA-1sivA:
49.49
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.
1t8b PHOSPHATE TRANSPORT
SYSTEM PROTEIN PHOU
HOMOLOG

(Aquifex
aeolicus) 		PF01895
(PhoU) 		5 ALA A 101
ASP A  99
VAL A  27
ILE A  56
GLY A  52
 None
 1.20A 1d4sA-1t8bA:
undetectable		 1d4sA-1t8bA:
18.06
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.
1u8x MALTOSE-6'-PHOSPHATE
GLUCOSIDASE

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 ASP X 353
VAL X 358
ILE X 349
GLY X 347
PRO X 371
 None
 1.23A 1d4sA-1u8xX:
undetectable		 1d4sA-1u8xX:
12.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w6v UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15

(Homo sapiens) 		PF06337
(DUSP) 		5 LEU A 100
ASP A  10
ASP A   8
GLY A  46
PRO A  62
 None
 1.13A 1d4sA-1w6vA:
undetectable		 1d4sA-1w6vA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x1q TRYPTOPHAN SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00291
(PALP) 		5 LEU A 173
ALA A 142
VAL A 178
GLY A 135
PHE A 169
 None
 0.96A 1d4sA-1x1qA:
undetectable		 1d4sA-1x1qA:
14.49
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.
1yaa ASPARTATE
AMINOTRANSFERASE

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		5 LEU A  79
VAL A 103
ILE A 114
GLY A 110
PRO A 298
 None
 1.24A 1d4sA-1yaaA:
undetectable		 1d4sA-1yaaA:
13.17
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.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 ALA A 161
ASP A 160
ASP A 176
ILE A 177
PHE A 171
 None
 1.17A 1d4sA-1yx2A:
undetectable		 1d4sA-1yx2A:
13.54
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.
1yyh NOTCH 1, ANKYRIN
DOMAIN

(Homo sapiens) 		PF12796
(Ank_2) 		5 LEU A  63
ALA A  72
ASP A  71
ILE A 108
PRO A  93
 None
 1.19A 1d4sA-1yyhA:
undetectable		 1d4sA-1yyhA:
14.29
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 LEU A 669
ALA A 770
VAL A 795
GLY A 775
PRO A 787
 None
 1.03A 1d4sA-2b3xA:
undetectable		 1d4sA-2b3xA:
7.39
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 LEU A  79
ALA A  64
ASP A  65
GLY A  16
PHE A  37
 None
None
NAP  A1901 (-3.8A)
NAP  A1901 (-3.2A)
None
 1.19A 1d4sA-2b4qA:
undetectable		 1d4sA-2b4qA:
18.65
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.
2dwy ADP-RIBOSYLATION
FACTOR BINDING
PROTEIN GGA1

(Homo sapiens) 		PF02883
(Alpha_adaptinC2) 		5 LEU A 598
ASP A 532
GLY A 637
PRO A 631
PHE A 630
 None
 1.23A 1d4sA-2dwyA:
undetectable		 1d4sA-2dwyA:
23.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		5 ASP A 158
ASP A  16
ASP A  17
GLY A 164
PRO A  52
 None
 1.22A 1d4sA-2eaeA:
undetectable		 1d4sA-2eaeA:
8.19
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.
2enx MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Streptococcus
agalactiae) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 LEU A 267
ALA A 219
ASP A 205
VAL A 221
ILE A 204
 None
None
MG  A 501 ( 4.0A)
None
None
 1.21A 1d4sA-2enxA:
undetectable		 1d4sA-2enxA:
15.76
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  32
ILE A  53
GLY A  55
PRO A  86
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
 0.55A 1d4sA-2fmbA:
14.8		 1d4sA-2fmbA:
28.85
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.
2kco 30S RIBOSOMAL
PROTEIN S8E

(Sulfolobus
solfataricus) 		PF01201
(Ribosomal_S8e) 		5 LEU A  82
VAL A 111
ILE A 121
GLY A  94
PRO A  85
 None
 1.26A 1d4sA-2kcoA:
undetectable		 1d4sA-2kcoA:
24.29
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.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		5 LEU A 417
ALA A 455
ASP A 454
GLY A 450
PRO A 392
 None
 1.21A 1d4sA-2qa2A:
undetectable		 1d4sA-2qa2A:
11.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qc9 NOTCH 1 PROTEIN

(Mus musculus) 		PF12796
(Ank_2) 		5 LEU A1924
ALA A1933
ASP A1932
ILE A1969
PRO A1954
 None
 1.23A 1d4sA-2qc9A:
undetectable		 1d4sA-2qc9A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 LEU A 534
ASP A 532
ASP A 494
GLY A 490
PHE A 525
 None
CA  A 616 ( 2.4A)
None
CA  A 614 ( 4.7A)
None
 1.24A 1d4sA-2quaA:
undetectable		 1d4sA-2quaA:
9.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
 0.45A 1d4sA-2rkfA:
20.6		 1d4sA-2rkfA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
 1.50A 1d4sA-2rkfA:
20.6		 1d4sA-2rkfA:
86.87
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.
2w38 SIALIDASE

(Pseudomonas
aeruginosa) 		PF13088
(BNR_2) 		5 LEU A 120
ALA A 130
ASP A  79
GLY A  82
PHE A 118
 None
 1.15A 1d4sA-2w38A:
undetectable		 1d4sA-2w38A:
12.71
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.
2wt9 NICOTINAMIDASE

(Acinetobacter
baumannii) 		PF00857
(Isochorismatase) 		5 LEU A  27
ALA A  32
ASP A  33
ILE A  36
GLY A 153
 None
 1.26A 1d4sA-2wt9A:
undetectable		 1d4sA-2wt9A:
19.81
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.
2wtk SERINE/THREONINE-PRO
TEIN KINASE 11

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU C  72
ASP C  68
ASP C 115
VAL C  66
GLY C  47
 None
 1.15A 1d4sA-2wtkC:
undetectable		 1d4sA-2wtkC:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 ALA A  81
ASP A  76
ILE A  66
GLY A  69
PHE A  85
 None
 1.12A 1d4sA-2ykyA:
undetectable		 1d4sA-2ykyA:
15.06
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.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 ASP A 851
ASP A 779
ILE A 777
GLY A 377
PRO A 292
 None
 1.02A 1d4sA-2yn9A:
undetectable		 1d4sA-2yn9A:
6.96
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.
2zz8 LIPL32 PROTEIN

(Leptospira
interrogans) 		PF12103
(Lipl32) 		5 LEU A  63
VAL A 118
ILE A 165
GLY A  75
PHE A 195
 None
 0.92A 1d4sA-2zz8A:
undetectable		 1d4sA-2zz8A:
19.28
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.
3clq UNCHARACTERIZED
PROTEIN

(Enterococcus
faecalis) 		PF06545
(DUF1116) 		5 LEU A 229
ALA A 180
ASP A 153
ASP A 299
GLY A 177
 None
 1.20A 1d4sA-3clqA:
undetectable		 1d4sA-3clqA:
15.09
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.
3hjw PSEUDOURIDINE
SYNTHASE CBF5

(Pyrococcus
furiosus) 		PF01472
(PUA)
PF01509
(TruB_N)
PF08068
(DKCLD)
PF16198
(TruB_C_2) 		5 ALA A 320
VAL A 256
ILE A 292
GLY A 303
PRO A 254
 None
 1.13A 1d4sA-3hjwA:
undetectable		 1d4sA-3hjwA:
15.87
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 LEU B 230
ALA B 268
ASP B 266
ILE B 286
GLY B 273
 None
 1.21A 1d4sA-3hkzB:
undetectable		 1d4sA-3hkzB:
7.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iha SALT-TOLERANT
GLUTAMINASE

(Micrococcus
luteus) 		PF04960
(Glutaminase) 		5 LEU A 409
ALA A 346
ASP A 349
VAL A 320
GLY A 314
 None
 1.25A 1d4sA-3ihaA:
undetectable		 1d4sA-3ihaA:
11.56
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.
3j40 GP10

(Salmonella
virus Epsilon15) 		no annotation 5 ALA N  97
ASP N  96
ASP N  95
GLY N  15
PRO N  91
 None
 1.18A 1d4sA-3j40N:
undetectable		 1d4sA-3j40N:
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.
3ktd PREPHENATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF02153
(PDH) 		5 LEU A  83
VAL A  99
ILE A  18
GLY A  16
PRO A  76
 None
 1.19A 1d4sA-3ktdA:
undetectable		 1d4sA-3ktdA:
14.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
PRO A  81
 None
 1.02A 1d4sA-3mwsA:
19.6		 1d4sA-3mwsA:
76.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 None
 0.52A 1d4sA-3mwsA:
19.6		 1d4sA-3mwsA:
76.77
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.
3nn8 ENGINEERED SCFV,
HEAVY CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 ASP A  56
ASP A  57
VAL A  73
ILE A  53
GLY A  35
 None
 1.23A 1d4sA-3nn8A:
undetectable		 1d4sA-3nn8A:
19.05
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 ALA A 359
ASP A 358
ASP A 381
ILE A 380
GLY A  58
 None
 1.19A 1d4sA-3ooqA:
undetectable		 1d4sA-3ooqA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 351
ALA A  96
ASP A  95
ILE A  69
GLY A   7
 None
None
None
None
NAP  A 372 (-3.1A)
 0.96A 1d4sA-3pzrA:
undetectable		 1d4sA-3pzrA:
15.30
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.
3qxm GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Homo sapiens) 		PF10613
(Lig_chan-Glu_bd) 		5 ALA A 640
ASP A 641
ASP A 642
GLY A 726
PHE A 704
 None
None
None
None
NDZ  A 301 ( 4.9A)
 1.25A 1d4sA-3qxmA:
undetectable		 1d4sA-3qxmA:
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.
3rva ORGANOPHOSPHORUS
ACID ANHYDROLASE

(Alteromonas
macleodii) 		PF00557
(Peptidase_M24) 		5 ALA A 277
ASP A 279
ILE A 422
GLY A 386
PHE A 417
 None
 1.07A 1d4sA-3rvaA:
undetectable		 1d4sA-3rvaA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s5t DUF3298 FAMILY
PROTEIN

(Bacteroides
fragilis) 		PF11738
(DUF3298)
PF13739
(DUF4163) 		5 LEU A 186
ALA A 230
ASP A 228
ILE A 251
PHE A 235
 None
 1.18A 1d4sA-3s5tA:
undetectable		 1d4sA-3s5tA:
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.65A 1d4sA-3slzA:
10.9		 1d4sA-3slzA:
27.41
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
ALA A  35
VAL A  39
PRO A  89
 None
3TL  A 126 (-2.4A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.81A 1d4sA-3slzA:
10.9		 1d4sA-3slzA:
27.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
None
017  A 201 (-4.0A)
None
 0.74A 1d4sA-3t3cA:
18.5		 1d4sA-3t3cA:
78.79
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		5 LEU A 296
ASP A 299
ASP A 306
VAL A 113
ILE A 323
 None
 1.15A 1d4sA-3td9A:
undetectable		 1d4sA-3td9A:
17.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ttp HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
 0.55A 1d4sA-3ttpA:
19.4		 1d4sA-3ttpA:
78.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 201 ( 4.0A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.55A 1d4sA-3u7sA:
19.9		 1d4sA-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 1.30A 1d4sA-3u7sA:
19.9		 1d4sA-3u7sA:
80.81
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		5 LEU A  71
ALA A  75
ILE A  94
GLY A  62
PRO A 316
 None
 1.16A 1d4sA-3uboA:
undetectable		 1d4sA-3uboA:
14.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
ASP A  29
PRO A  81
 None
 0.42A 1d4sA-3uhlA:
15.7		 1d4sA-3uhlA:
77.78
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.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 355
ALA A  96
ASP A  95
ILE A  69
GLY A   7
 None
 1.01A 1d4sA-3uw3A:
undetectable		 1d4sA-3uw3A:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wkq NITRITE REDUCTASE

(Geobacillus
thermodenitrificans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 LEU A 230
ALA A 277
ASP A 256
VAL A 253
PHE A 281
 None
 1.24A 1d4sA-3wkqA:
undetectable		 1d4sA-3wkqA:
15.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ayr MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E

(Caulobacter sp.
K31) 		PF01532
(Glyco_hydro_47) 		5 ALA A 248
ASP A 249
ASP A 245
ILE A 244
PHE A 297
 None
IFL  A 504 (-2.8A)
None
None
None
 1.18A 1d4sA-4ayrA:
undetectable		 1d4sA-4ayrA:
13.94
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.
4f9o HEXOKINASE-1

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 ALA A 236
VAL A 386
ILE A 230
GLY A 233
PHE A 264
 None
None
None
BGC  A1001 ( 3.8A)
None
 1.01A 1d4sA-4f9oA:
undetectable		 1d4sA-4f9oA:
8.61
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.
4gaa MGC78867 PROTEIN

(Xenopus laevis) 		PF01433
(Peptidase_M1)
PF09127
(Leuk-A4-hydro_C) 		5 LEU A 404
ASP A 243
GLY A 327
PRO A 397
PHE A 400
 None
 1.16A 1d4sA-4gaaA:
undetectable		 1d4sA-4gaaA:
10.03
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.
4jxy TRANS-HEXAPRENYLTRAN
STRANSFERASE

(Pseudoalteromonas
atlantica) 		PF00348
(polyprenyl_synt) 		5 LEU A 289
ASP A 211
ASP A 212
ILE A 167
GLY A 204
 None
 0.99A 1d4sA-4jxyA:
undetectable		 1d4sA-4jxyA:
14.71
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 LEU A  69
ASP A  57
ALA A  60
ASP A  80
ILE A  62
 None
None
None
SAH  A 502 (-2.5A)
None
 0.99A 1d4sA-4krgA:
undetectable		 1d4sA-4krgA:
10.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
ASP A  30
VAL A  32
GLY A  48
 RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 (-4.8A)
 0.75A 1d4sA-4njvA:
21.1		 1d4sA-4njvA:
86.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
 0.56A 1d4sA-4njvA:
21.1		 1d4sA-4njvA:
86.87
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.
4pmj PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF00248
(Aldo_ket_red) 		5 LEU A 228
ALA A 252
ASP A 251
ASP A 254
PHE A 227
 None
 1.25A 1d4sA-4pmjA:
undetectable		 1d4sA-4pmjA:
17.04
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.
4po6 NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		no annotation 5 LEU A 426
ASP A 382
VAL A 420
ILE A 324
GLY A 322
 None
 1.20A 1d4sA-4po6A:
undetectable		 1d4sA-4po6A:
11.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgb CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ALA A 102
ASP A 101
VAL A  48
ILE A 110
GLY A 108
 None
 1.00A 1d4sA-4rgbA:
undetectable		 1d4sA-4rgbA:
17.69
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.
4rtb HYDG PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		5 ALA A 248
ASP A 249
ILE A   5
GLY A 243
PHE A 187
 None
None
None
None
SAM  A 501 (-4.3A)
 1.21A 1d4sA-4rtbA:
undetectable		 1d4sA-4rtbA:
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.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ALA A 352
ASP A 290
VAL A 300
GLY A 371
PHE A 328
 None
 1.18A 1d4sA-4tqkA:
undetectable		 1d4sA-4tqkA:
15.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzf 1,3-BETA-GLUCANASE

(Mycobacterium
tuberculosis) 		PF00722
(Glyco_hydro_16) 		5 LEU A  57
ASP A  71
ASP A  60
VAL A 291
GLY A 132
 None
 1.20A 1d4sA-4wzfA:
undetectable		 1d4sA-4wzfA:
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.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF03734
(YkuD) 		5 ASP A 107
ALA A  91
ASP A  88
ILE A  84
PHE A 109
 None
 1.24A 1d4sA-4xvoA:
undetectable		 1d4sA-4xvoA:
17.67
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.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF03734
(YkuD) 		5 ASP A 107
ALA A  91
ASP A  88
ILE A  84
PRO A  63
 None
 1.02A 1d4sA-4xvoA:
undetectable		 1d4sA-4xvoA:
17.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
ALA A  35
ASP A  36
VAL A  39
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-3.4A)
 0.72A 1d4sA-4ydfA:
13.0		 1d4sA-4ydfA:
30.43
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 LEU A 322
ASP A 318
ALA A 336
ILE A  97
GLY A 312
 None
 1.24A 1d4sA-5a8rA:
undetectable		 1d4sA-5a8rA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c8s GUANINE-N7
METHYLTRANSFERASE

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF06471
(NSP11) 		5 LEU B 117
ALA B 270
ASP B 273
ILE B 275
GLY B  88
 None
 1.15A 1d4sA-5c8sB:
undetectable		 1d4sA-5c8sB:
12.61
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.
5dji 3'-PHOSPHOADENOSINE
5'-PHOSPHATE
PHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00459
(Inositol_P) 		5 LEU A 247
ALA A 201
ASP A 200
ILE A 179
PRO A 167
 None
 0.95A 1d4sA-5djiA:
undetectable		 1d4sA-5djiA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		5 ALA A 770
VAL A 798
ILE A 795
GLY A 744
PRO A 749
 None
 1.24A 1d4sA-5dztA:
undetectable		 1d4sA-5dztA:
6.56
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.
5e1b N-TERMINAL
XAA-PRO-LYS
N-METHYLTRANSFERASE
1

(Homo sapiens) 		PF05891
(Methyltransf_PK) 		5 LEU A  80
ASP A  67
ALA A  70
ASP A  91
ILE A  72
 None
None
None
SAH  A 301 (-2.7A)
None
 1.09A 1d4sA-5e1bA:
undetectable		 1d4sA-5e1bA:
19.38
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.
5f12 NAD(P)H
DEHYDROGENASE
(QUINONE)

(Escherichia
coli) 		PF03358
(FMN_red) 		5 LEU A 178
ALA A 161
VAL A  21
ILE A  72
GLY A  74
 None
 1.14A 1d4sA-5f12A:
undetectable		 1d4sA-5f12A:
16.24
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.
5hm7 BUTYROPHILIN
SUBFAMILY 3 MEMBER
A1

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		5 LEU A 434
ALA A 310
ASP A 311
ILE A 480
GLY A 356
 None
 1.16A 1d4sA-5hm7A:
undetectable		 1d4sA-5hm7A:
15.35
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.
5j6o PUTATIVE POLYKETIDE
SYNTHASE

(Brevibacillus
brevis) 		PF14765
(PS-DH) 		5 LEU A2131
ALA A2181
ASP A2201
ILE A2209
GLY A2207
 None
 1.24A 1d4sA-5j6oA:
undetectable		 1d4sA-5j6oA:
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.
5kin TRYPTOPHAN SYNTHASE
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00291
(PALP) 		5 LEU B 155
ALA B 124
VAL B 160
GLY B 117
PHE B 151
 None
 1.06A 1d4sA-5kinB:
undetectable		 1d4sA-5kinB:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l7n PLEXIN-A1

(Mus musculus) 		PF01833
(TIG) 		5 ALA A 925
ASP A 924
VAL A 900
ILE A 922
GLY A 872
 None
 1.21A 1d4sA-5l7nA:
undetectable		 1d4sA-5l7nA:
13.05
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.
5lyk BUTYROPHILIN
SUBFAMILY 3 MEMBER
A1

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		5 LEU A 464
ALA A 340
ASP A 341
ILE A 510
GLY A 386
 None
 1.16A 1d4sA-5lykA:
undetectable		 1d4sA-5lykA:
16.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 None
 0.55A 1d4sA-5t2zA:
19.9		 1d4sA-5t2zA:
79.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
 1.39A 1d4sA-5t2zA:
19.9		 1d4sA-5t2zA:
79.80
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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 LEU A  14
ASP A 370
VAL A 373
GLY A 205
PRO A 150
 None
None
None
ATP  A 700 (-3.5A)
None
 0.84A 1d4sA-5tkyA:
undetectable		 1d4sA-5tkyA:
11.19
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.
5xpg UNCHARACTERIZED
PROTEIN

(Thermus
thermophilus) 		no annotation 5 LEU A 460
ALA A 333
ASP A 332
VAL A 463
GLY A 646
 None
 1.20A 1d4sA-5xpgA:
undetectable		 1d4sA-5xpgA:
20.20
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.
5zbi PEPTIDE ASPARAGINYL
LIGASE

(Viola
canadensis) 		no annotation 5 LEU A 133
ALA A 142
VAL A 150
GLY A 145
PHE A 132
 None
 1.24A 1d4sA-5zbiA:
undetectable		 1d4sA-5zbiA:
22.55
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.
5zvt C-TERMINUS OF OUTER
CAPSID PROTEIN VP5

(Aquareovirus C) 		no annotation 5 LEU B 597
ALA B 573
VAL B 604
ILE B 525
GLY B 522
 None
 1.26A 1d4sA-5zvtB:
undetectable		 1d4sA-5zvtB:
23.23
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.
6dux 6-PHOSPHO-ALPHA-GLUC
OSIDASE

(Klebsiella
pneumoniae) 		no annotation 5 ASP A 351
VAL A 356
ILE A 347
GLY A 345
PRO A 369
 None
 1.21A 1d4sA-6duxA:
undetectable		 1d4sA-6duxA:
23.30
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.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 5 LEU A 197
ALA A 163
ASP A 160
ILE A 223
PRO A 251
 None
 1.20A 1d4sA-6fhvA:
undetectable		 1d4sA-6fhvA:
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.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		5 LEU A  28
ASP A  30
ALA A  33
ASP A  34
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
 0.41A 1d4sA-6fivA:
15.2		 1d4sA-6fivA:
29.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
PRO A  81
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
None
 0.76A 1d4sA-6upjA:
18.2		 1d4sA-6upjA:
47.47
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.
1b0z PROTEIN
(PHOSPHOGLUCOSE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00342
(PGI) 		5 LEU A 212
ALA A  87
GLY A  79
ILE A  78
PHE A 193
 None
 1.10A 1d4sB-1b0zA:
undetectable		 1d4sB-1b0zA:
13.03
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.
1bbu PROTEIN (LYSYL-TRNA
SYNTHETASE)

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 LEU A 326
ALA A 379
GLY A 419
ILE A 384
 None
 0.73A 1d4sB-1bbuA:
0.0		 1d4sB-1bbuA:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		4 LEU A 166
GLY A 178
ILE A 130
PHE A 208
 None
 0.71A 1d4sB-1c7jA:
undetectable		 1d4sB-1c7jA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1civ NADP-MALATE
DEHYDROGENASE

(Flaveria
bidentis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ARG A 250
LEU A 253
ALA A 209
ILE A 241
PHE A 233
 None
 1.13A 1d4sB-1civA:
0.0		 1d4sB-1civA:
15.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 LEU A 225
ALA A 219
ILE A 115
VAL A 224
 None
 0.72A 1d4sB-1dj3A:
0.0		 1d4sB-1dj3A:
14.47
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 LEU A 326
ALA A 379
GLY A 419
ILE A 384
 None
None
None
GOL  A 609 ( 3.9A)
 0.70A 1d4sB-1e1tA:
0.0		 1d4sB-1e1tA:
14.58
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.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 107
ALA A  29
ILE A 144
VAL A 112
 None
 0.78A 1d4sB-1ebdA:
0.0		 1d4sB-1ebdA:
13.42
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 LEU A 380
ALA A  18
GLY A  14
ILE A  40
PHE A 353
 None
FAD  A 801 (-3.3A)
FAD  A 801 (-3.1A)
None
None
 1.10A 1d4sB-1fohA:
0.0		 1d4sB-1fohA:
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.
1fu1 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.90A 1d4sB-1fu1A:
0.0		 1d4sB-1fu1A:
20.21
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.
1gpe PROTEIN (GLUCOSE
OXIDASE)

(Penicillium
amagasakiense) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 LEU A 313
GLY A 255
ILE A 301
VAL A 318
 None
 0.73A 1d4sB-1gpeA:
undetectable		 1d4sB-1gpeA:
10.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A 176
GLY A 170
ILE A 201
VAL A 284
 None
None
None
NAJ  A1361 (-4.1A)
 0.80A 1d4sB-1h2bA:
undetectable		 1d4sB-1h2bA:
15.41
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.
1h4v HISTIDYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF03129
(HGTP_anticodon)
PF13393
(tRNA-synt_His) 		4 ARG B 266
ALA B 143
ILE B 138
VAL B 303
 None
 0.74A 1d4sB-1h4vB:
undetectable		 1d4sB-1h4vB:
12.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.74A 1d4sB-1hvcA:
14.1		 1d4sB-1hvcA:
97.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
 0.73A 1d4sB-1hvcA:
14.1		 1d4sB-1hvcA:
97.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-3.8A)
 1.05A 1d4sB-1hvcA:
14.1		 1d4sB-1hvcA:
97.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.6A)
 1.02A 1d4sB-1hvcA:
14.1		 1d4sB-1hvcA:
97.98
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.
1ii8 RAD50 ABC-ATPASE

(Pyrococcus
furiosus) 		PF13304
(AAA_21) 		4 LEU B 745
ALA B 752
GLY B 801
VAL B 769
 None
 0.78A 1d4sB-1ii8B:
undetectable		 1d4sB-1ii8B:
19.54
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		4 LEU A  89
GLY A 310
ILE A 311
VAL A  86
 None
PLP  A 401 (-3.6A)
None
None
 0.77A 1d4sB-1j0aA:
undetectable		 1d4sB-1j0aA:
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.
1jcn INOSINE
MONOPHOSPHATE
DEHYDROGENASE I

(Homo sapiens) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 LEU A 460
GLY A  89
ILE A  66
PHE A 456
VAL A 457
 None
 1.46A 1d4sB-1jcnA:
undetectable		 1d4sB-1jcnA:
12.34
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		4 ALA B 255
GLY B 392
ILE B 395
PHE B 367
 None
 0.79A 1d4sB-1k5sB:
undetectable		 1d4sB-1k5sB:
11.31
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.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		4 ARG A 876
GLY A 802
ILE A 801
VAL A 867
 None
B12  A1248 (-3.5A)
None
None
 0.80A 1d4sB-1k7yA:
undetectable		 1d4sB-1k7yA:
11.13
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.
1kwc 2,3-DIHYDROXYBIPHENY
L DIOXYGENASE

(Pseudomonas sp.
KKS102) 		PF00903
(Glyoxalase) 		4 LEU B  79
GLY B 110
PHE B  86
VAL B  84
 None
 0.68A 1d4sB-1kwcB:
undetectable		 1d4sB-1kwcB:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lxt PHOSPHOGLUCOMUTASE
(DEPHOSPHO FORM)

(Oryctolagus
cuniculus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A 391
ALA A  97
GLY A  60
ILE A  92
PHE A 286
 None
 1.14A 1d4sB-1lxtA:
undetectable		 1d4sB-1lxtA:
12.05
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 LEU A 154
ALA A 141
GLY A 533
ILE A 553
VAL A 131
 None
None
FAD  A3000 (-3.4A)
FAD  A3000 (-3.6A)
None
 1.22A 1d4sB-1m64A:
undetectable		 1d4sB-1m64A:
10.99
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.
1mbs MYOGLOBIN

(Phoca vitulina) 		PF00042
(Globin) 		4 LEU A  11
ALA A 134
ILE A 111
VAL A  10
 None
 0.79A 1d4sB-1mbsA:
undetectable		 1d4sB-1mbsA:
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.
1mus TN5 TRANSPOSASE

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5)
PF14706
(Tnp_DNA_bind) 		5 ARG A 210
LEU A 300
ALA A 312
GLY A 236
VAL A 282
 None
 1.03A 1d4sB-1musA:
undetectable		 1d4sB-1musA:
11.45
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.
1mxs KDPG ALDOLASE

(Pseudomonas
putida) 		PF01081
(Aldolase) 		5 ARG A  76
LEU A  79
GLY A  65
ILE A  35
VAL A  81
 None
 1.30A 1d4sB-1mxsA:
undetectable		 1d4sB-1mxsA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU N 426
ASP N 460
ALA N 462
GLY N 109
ILE N 108
 None
 1.18A 1d4sB-1nmbN:
undetectable		 1d4sB-1nmbN:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nnl L-3-PHOSPHOSERINE
PHOSPHATASE

(Homo sapiens) 		PF00702
(Hydrolase) 		4 ALA A 186
GLY A 178
ILE A 177
PHE A 131
 None
 0.75A 1d4sB-1nnlA:
undetectable		 1d4sB-1nnlA:
16.89
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.
1o5w AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Rattus
norvegicus) 		PF01593
(Amino_oxidase) 		4 LEU A 233
ALA A  29
GLY A  22
ILE A  23
 None
None
FAD  A 652 (-3.4A)
FAD  A 652 (-4.8A)
 0.73A 1d4sB-1o5wA:
undetectable		 1d4sB-1o5wA:
11.83
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.
1oaz THIOREDOXIN 1

(Escherichia
coli) 		PF00085
(Thioredoxin) 		4 LEU A  24
ALA A  53
ILE A  59
VAL A  69
 None
 0.75A 1d4sB-1oazA:
undetectable		 1d4sB-1oazA:
24.00
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.
1ofi ATP-DEPENDENT
PROTEASE HSLV

(Haemophilus
influenzae) 		PF00227
(Proteasome) 		4 ALA G  31
GLY G  16
ILE G   3
PHE G 162
 None
 0.80A 1d4sB-1ofiG:
undetectable		 1d4sB-1ofiG:
22.94
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.
1pvt SUGAR-PHOSPHATE
ALDOLASE

(Thermotoga
maritima) 		PF00596
(Aldolase_II) 		4 LEU A 188
ALA A 196
ILE A 210
VAL A 194
 None
 0.78A 1d4sB-1pvtA:
undetectable		 1d4sB-1pvtA:
16.32
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.
1q8y SR PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 ARG A 287
ASP A 282
ALA A 697
GLY A 726
 None
 0.73A 1d4sB-1q8yA:
undetectable		 1d4sB-1q8yA:
15.79
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.
1qfc PROTEIN (PURPLE ACID
PHOSPHATASE)

(Rattus
norvegicus) 		PF00149
(Metallophos) 		4 ALA A 100
ILE A 107
PHE A  67
VAL A  59
 NAG  A 400 ( 4.0A)
None
None
None
 0.75A 1d4sB-1qfcA:
undetectable		 1d4sB-1qfcA:
17.77
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.
1r6a GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		4 ARG A  57
ASP A 255
GLY A  44
ILE A  45
 SO4  A 905 (-3.6A)
None
None
None
 0.71A 1d4sB-1r6aA:
undetectable		 1d4sB-1r6aA:
17.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
 None
 0.67A 1d4sB-1sivA:
18.3		 1d4sB-1sivA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
GLY A  49
ILE A  50
 None
 0.87A 1d4sB-1sivA:
18.3		 1d4sB-1sivA:
49.49
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.
1soi MUTT/NUDIX FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF00293
(NUDIX) 		5 LEU A  72
ALA A 100
GLY A  17
ILE A  47
VAL A  74
 None
 1.16A 1d4sB-1soiA:
undetectable		 1d4sB-1soiA:
22.09
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		4 LEU A 370
GLY A 441
ILE A 442
VAL A 367
 None
 0.73A 1d4sB-1sqjA:
undetectable		 1d4sB-1sqjA:
8.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sxj ACTIVATOR 1 37 KDA
SUBUNIT
ACTIVATOR 1 95 KDA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00004
(AAA)
PF08519
(RFC1)
PF08542
(Rep_fac_C) 		5 ARG B 285
LEU B 286
ALA A 653
GLY A 561
ILE A 563
 None
 1.30A 1d4sB-1sxjB:
undetectable		 1d4sB-1sxjB:
16.51
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ARG B 382
LEU B 315
ALA B 172
GLY B 418
VAL B 353
 None
 1.35A 1d4sB-1t3qB:
undetectable		 1d4sB-1t3qB:
7.96
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.
1t8w AMP NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1)
PF10423
(AMNp_N) 		4 ARG A 415
LEU A 331
ILE A 288
VAL A 330
 None
 0.76A 1d4sB-1t8wA:
undetectable		 1d4sB-1t8wA:
10.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tjn SIROHYDROCHLORIN
COBALTOCHELATASE

(Archaeoglobus
fulgidus) 		PF01903
(CbiX) 		4 LEU A  79
GLY A 108
ILE A 107
VAL A  75
 None
 0.73A 1d4sB-1tjnA:
undetectable		 1d4sB-1tjnA:
22.44
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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 434
ASP A 468
ALA A 470
GLY A 115
ILE A 114
 None
 1.11A 1d4sB-1v0zA:
undetectable		 1d4sB-1v0zA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v59 DIHYDROLIPOAMIDE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 105
ALA A  21
GLY A 340
ILE A 341
 None
 0.73A 1d4sB-1v59A:
undetectable		 1d4sB-1v59A:
12.50
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.
1vd6 GLYCEROPHOSPHORYL
DIESTER
PHOSPHODIESTERASE

(Thermus
thermophilus) 		PF03009
(GDPD) 		4 LEU A  32
ALA A  16
GLY A 213
ILE A 212
 None
None
None
GOL  A 300 ( 4.9A)
 0.79A 1d4sB-1vd6A:
undetectable		 1d4sB-1vd6A:
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 ARG A 770
ALA A 743
GLY A 766
ILE A 767
 None
 0.70A 1d4sB-1vrqA:
undetectable		 1d4sB-1vrqA:
7.17
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.
1wdd RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN C

(Oryza sativa) 		PF00101
(RuBisCO_small) 		4 LEU S  83
GLY S 102
ILE S 112
VAL S  82
 None
 0.79A 1d4sB-1wddS:
undetectable		 1d4sB-1wddS:
23.08
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.
1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ALA A 323
GLY A 385
ILE A 384
VAL A 327
 COA  A1001 ( 3.8A)
CSO  A  92 ( 4.1A)
CSO  A  92 ( 4.7A)
None
 0.79A 1d4sB-1wl4A:
undetectable		 1d4sB-1wl4A:
16.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xdp POLYPHOSPHATE KINASE

(Escherichia
coli) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		4 LEU A 356
GLY A 456
ILE A 455
VAL A 353
 None
 0.64A 1d4sB-1xdpA:
undetectable		 1d4sB-1xdpA:
10.45
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.
1xkg MAJOR MITE FECAL
ALLERGEN DER P 1

(Dermatophagoides
pteronyssinus) 		PF00112
(Peptidase_C1) 		5 LEU A 128
ALA A 217
GLY A 256
ILE A  94
VAL A 102
 None
 1.34A 1d4sB-1xkgA:
undetectable		 1d4sB-1xkgA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 LEU A 428
ASP A 462
ALA A 464
GLY A 110
ILE A 109
 None
 1.09A 1d4sB-1xogA:
undetectable		 1d4sB-1xogA:
15.76
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.
1yad REGULATORY PROTEIN
TENI

(Bacillus
subtilis) 		PF02581
(TMP-TENI) 		4 ARG A 190
ALA A   5
ILE A  19
VAL A  27
 None
 0.78A 1d4sB-1yadA:
undetectable		 1d4sB-1yadA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ALA A 144
GLY A 101
ILE A 121
VAL A  96
 None
 0.76A 1d4sB-1yqdA:
undetectable		 1d4sB-1yqdA:
15.49
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		4 LEU A 217
ALA A  24
ILE A  18
VAL A  37
 None
None
FAD  A 803 (-4.7A)
None
 0.76A 1d4sB-1yy5A:
undetectable		 1d4sB-1yy5A:
12.47
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.
1zy8 DIHYDROLIPOYL
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 LEU A 106
ALA A  22
GLY A 335
ILE A 336
 None
 0.77A 1d4sB-1zy8A:
undetectable		 1d4sB-1zy8A:
10.95
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.
1zye THIOREDOXIN-DEPENDEN
T PEROXIDE REDUCTASE

(Bos taurus) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 LEU A 100
ASP A 102
GLY A 112
VAL A  71
 None
 0.80A 1d4sB-1zyeA:
undetectable		 1d4sB-1zyeA:
18.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2axq SACCHAROPINE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 LEU A  21
GLY A 123
ILE A 122
VAL A  17
 None
 0.77A 1d4sB-2axqA:
undetectable		 1d4sB-2axqA:
12.88
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.
2bac PUTATIVE
AMINOOXIDASE

(Cutibacterium
acnes) 		PF01593
(Amino_oxidase) 		5 LEU A 418
ALA A  17
GLY A  13
ILE A  35
PHE A 397
 None
FAD  A 500 (-3.1A)
FAD  A 500 (-3.2A)
None
None
 1.32A 1d4sB-2bacA:
undetectable		 1d4sB-2bacA:
12.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfw GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1) 		4 LEU A 363
ALA A 377
GLY A 261
VAL A 360
 None
None
SO4  A1414 (-3.5A)
None
 0.73A 1d4sB-2bfwA:
undetectable		 1d4sB-2bfwA:
20.60
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.
2bra NEDD9 INTERACTING
PROTEIN WITH
CALPONIN HOMOLOGY
AND LIM DOMAINS

(Mus musculus) 		PF01494
(FAD_binding_3) 		4 LEU A 112
ALA A  99
GLY A 392
VAL A  89
 None
None
FAD  A1485 (-3.4A)
None
 0.79A 1d4sB-2braA:
undetectable		 1d4sB-2braA:
12.39
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.
2cnd NADH-DEPENDENT
NITRATE REDUCTASE

(Zea mays) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		4 LEU A  23
GLY A 145
ILE A 148
VAL A  27
 None
 0.73A 1d4sB-2cndA:
undetectable		 1d4sB-2cndA:
18.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cy8 D-PHENYLGLYCINE
AMINOTRANSFERASE

(Pseudomonas
stutzeri) 		PF00202
(Aminotran_3) 		4 LEU A 258
ALA A 228
ILE A 239
VAL A 260
 None
 0.80A 1d4sB-2cy8A:
undetectable		 1d4sB-2cy8A:
13.45
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.
2d6f GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT E

(Methanothermobacter
thermautotrophicus) 		PF02637
(GatB_Yqey)
PF02934
(GatB_N)
PF02938
(GAD) 		4 LEU C  18
GLY C 205
ILE C 204
VAL C 213
 None
 0.72A 1d4sB-2d6fC:
undetectable		 1d4sB-2d6fC:
11.89
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.
2dg2 APOLIPOPROTEIN A-I
BINDING PROTEIN

(Mus musculus) 		PF03853
(YjeF_N) 		4 GLY A 202
ILE A 203
PHE A 162
VAL A 166
 None
None
SO4  A1001 (-3.8A)
None
 0.80A 1d4sB-2dg2A:
undetectable		 1d4sB-2dg2A:
16.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dkh 3-HYDROXYBENZOATE
HYDROXYLASE

(Comamonas
testosteroni) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 LEU A 372
ALA A  43
GLY A  39
ILE A  61
PHE A 345
 None
FAD  A 640 (-3.0A)
FAD  A 640 (-3.3A)
None
None
 1.04A 1d4sB-2dkhA:
undetectable		 1d4sB-2dkhA:
10.23
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.
2eh1 STAGE V SPORULATION
PROTEIN S (SPOVS)
RELATED PROTEIN

(Thermus
thermophilus) 		PF04232
(SpoVS) 		4 LEU A   4
ALA A  42
ILE A  48
VAL A  31
 None
 0.74A 1d4sB-2eh1A:
undetectable		 1d4sB-2eh1A:
20.95
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.
2eih ALCOHOL
DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A 162
ALA A 192
ILE A 184
VAL A 164
 None
 0.80A 1d4sB-2eihA:
undetectable		 1d4sB-2eihA:
17.17
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.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		4 ALA A  90
GLY A  15
ILE A  12
VAL A  63
 NAD  A 257 ( 4.0A)
None
None
NAD  A 257 (-3.4A)
 0.76A 1d4sB-2ewmA:
undetectable		 1d4sB-2ewmA:
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.
2f96 RIBONUCLEASE T

(Pseudomonas
aeruginosa) 		PF00929
(RNase_T) 		4 ALA A 203
GLY A 208
ILE A 209
VAL A  56
 None
 0.77A 1d4sB-2f96A:
undetectable		 1d4sB-2f96A:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fex CONSERVED
HYPOTHETICAL PROTEIN

(Agrobacterium
fabrum) 		PF01965
(DJ-1_PfpI) 		4 LEU A  67
GLY A 111
PHE A  90
VAL A  97
 None
 0.74A 1d4sB-2fexA:
undetectable		 1d4sB-2fexA:
21.69
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		4 LEU A 203
GLY A 215
ILE A 169
PHE A 245
 None
 0.77A 1d4sB-2fj0A:
undetectable		 1d4sB-2fj0A:
11.52
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		5 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  55
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
 0.45A 1d4sB-2fmbA:
15.1		 1d4sB-2fmbA:
28.85
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.
2fuv PHOSPHOGLUCOMUTASE

(Salmonella
enterica) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 ARG A 336
LEU A 332
ALA A 395
GLY A 411
ILE A 412
 None
 1.50A 1d4sB-2fuvA:
undetectable		 1d4sB-2fuvA:
10.43
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.
2g04 PROBABLE
FATTY-ACID-COA
RACEMASE FAR

(Mycobacterium
tuberculosis) 		PF02515
(CoA_transf_3) 		5 ARG A 112
ALA A  24
GLY A  19
ILE A  18
VAL A 166
 None
 1.24A 1d4sB-2g04A:
undetectable		 1d4sB-2g04A:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g7c TOXIN A

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		4 ALA A 123
GLY A 144
ILE A 114
VAL A  76
 None
 0.78A 1d4sB-2g7cA:
undetectable		 1d4sB-2g7cA:
18.55
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		4 ARG A 771
ALA A 744
GLY A 767
ILE A 768
 None
 0.76A 1d4sB-2gahA:
undetectable		 1d4sB-2gahA:
7.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hc8 CATION-TRANSPORTING
ATPASE, P-TYPE

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase) 		4 ALA A 305
GLY A 292
ILE A 257
VAL A 243
 None
 0.74A 1d4sB-2hc8A:
undetectable		 1d4sB-2hc8A:
24.19
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.
2hdw HYPOTHETICAL PROTEIN
PA2218

(Pseudomonas
aeruginosa) 		PF02129
(Peptidase_S15) 		4 ARG A 358
LEU A 337
GLY A 177
ILE A 176
 None
 0.80A 1d4sB-2hdwA:
undetectable		 1d4sB-2hdwA:
14.24
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.
2hqy CONSERVED
HYPOTHETICAL PROTEIN

(Bacteroides
thetaiotaomicron) 		PF09924
(DUF2156) 		4 LEU A  52
ILE A 226
PHE A  18
VAL A  68
 None
 0.77A 1d4sB-2hqyA:
undetectable		 1d4sB-2hqyA:
15.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ice COMPLEMENT C3 BETA
CHAIN

(Homo sapiens) 		PF01835
(A2M_N)
PF07703
(A2M_N_2) 		4 LEU A 471
ALA A 620
GLY A 615
VAL A 510
 None
 0.73A 1d4sB-2iceA:
undetectable		 1d4sB-2iceA:
10.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ilu ALDEHYDE
DEHYDROGENASE A

(Escherichia
coli) 		PF00171
(Aldedh) 		4 LEU A 371
ALA A 393
GLY A 296
ILE A 297
 None
 0.74A 1d4sB-2iluA:
undetectable		 1d4sB-2iluA:
13.00
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.
2jfd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00698
(Acyl_transf_1)
PF16197
(KAsynt_C_assoc) 		5 ARG A 633
LEU A 665
ALA A 621
GLY A 653
VAL A 662
 None
 1.33A 1d4sB-2jfdA:
undetectable		 1d4sB-2jfdA:
14.51
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.
2k9u GAMMA FILAMIN

(Homo sapiens) 		PF00630
(Filamin) 		4 LEU A  28
ALA A  37
ILE A  63
PHE A 101
 None
 0.77A 1d4sB-2k9uA:
undetectable		 1d4sB-2k9uA:
21.14
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.
2kiv ANKYRIN REPEAT AND
STERILE ALPHA MOTIF
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF00536
(SAM_1) 		4 LEU A   8
GLY A 123
ILE A 122
VAL A   4
 None
 0.59A 1d4sB-2kivA:
undetectable		 1d4sB-2kivA:
22.82
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.
2kpq UNCHARACTERIZED
PROTEIN

(Agrobacterium
fabrum) 		PF06169
(DUF982) 		4 LEU A  55
ALA A  78
ILE A  19
PHE A  36
 None
 0.75A 1d4sB-2kpqA:
undetectable		 1d4sB-2kpqA:
22.32
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.
2kxg ASPARTIC PROTEASE
INHIBITOR

(Cucurbita
maxima) 		PF16845
(SQAPI) 		5 LEU A  88
ALA A  23
GLY A  43
ILE A  59
VAL A  77
 None
 1.29A 1d4sB-2kxgA:
undetectable		 1d4sB-2kxgA:
20.19
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.
2lt9 PROTEIN SLC8A3

(Mus musculus) 		PF03160
(Calx-beta) 		4 LEU A 587
GLY A 655
PHE A 566
VAL A 564
 None
 0.75A 1d4sB-2lt9A:
undetectable		 1d4sB-2lt9A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o8r POLYPHOSPHATE KINASE

(Porphyromonas
gingivalis) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		5 LEU A 491
ALA A 457
ILE A 611
PHE A 504
VAL A 488
 None
 1.29A 1d4sB-2o8rA:
undetectable		 1d4sB-2o8rA:
10.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oej 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Geobacillus
kaustophilus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 LEU A 298
ALA A 294
GLY A 126
ILE A 130
VAL A 297
 None
 1.12A 1d4sB-2oejA:
undetectable		 1d4sB-2oejA:
14.10
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.
2oga TRANSAMINASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A 136
ALA A 186
GLY A 179
ILE A 178
VAL A 162
 None
 1.43A 1d4sB-2ogaA:
undetectable		 1d4sB-2ogaA:
12.28
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.
2ome C-TERMINAL-BINDING
PROTEIN 2

(Homo sapiens) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 LEU A  87
GLY A 105
ILE A 104
VAL A 111
 None
 0.69A 1d4sB-2omeA:
undetectable		 1d4sB-2omeA:
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.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		4 ARG A 242
GLY A 128
ILE A 164
VAL A 170
 None
 0.80A 1d4sB-2owoA:
undetectable		 1d4sB-2owoA:
9.78
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.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		4 LEU A 125
ALA A 417
GLY A 116
PHE A 124
 None
 0.79A 1d4sB-2pg8A:
undetectable		 1d4sB-2pg8A:
13.89
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.
2po4 VIRION RNA
POLYMERASE

(Escherichia
virus N4) 		no annotation 4 LEU A 899
ALA A 240
GLY A 233
ILE A 234
 None
 0.79A 1d4sB-2po4A:
undetectable		 1d4sB-2po4A:
7.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q6t DNAB REPLICATION
FORK HELICASE

(Thermus
aquaticus) 		PF00772
(DnaB)
PF03796
(DnaB_C) 		4 LEU A 280
ALA A 225
GLY A 233
ILE A 234
 None
 0.79A 1d4sB-2q6tA:
undetectable		 1d4sB-2q6tA:
13.58
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.
2q9t DING

(Pseudomonas
fluorescens) 		PF12849
(PBP_like_2) 		5 ARG A 153
LEU A 150
ASP A  62
ALA A   7
GLY A  33
 None
None
PO4  A 901 (-2.8A)
PO4  A 901 (-3.3A)
None
 1.44A 1d4sB-2q9tA:
undetectable		 1d4sB-2q9tA:
13.14
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 430
GLY A 425
ILE A 424
VAL A 440
 None
 0.73A 1d4sB-2qaeA:
undetectable		 1d4sB-2qaeA:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qw8 EUGENOL SYNTHASE 1

(Ocimum
basilicum) 		PF05368
(NmrA) 		4 LEU A 265
ALA A 180
ILE A 216
PHE A 158
 None
None
None
NAP  A 401 (-4.4A)
 0.78A 1d4sB-2qw8A:
undetectable		 1d4sB-2qw8A:
14.01