SIMILAR PATTERNS OF AMINO ACIDS FOR 1D4Y_A_TPVA501

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.
1ao0 GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Bacillus
subtilis) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		5 LEU A 215
ASP A 219
GLY A  66
ILE A   6
VAL A 170
 None
 1.12A 1d4yA-1ao0A:
undetectable		 1d4yA-1ao0A:
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.
1dby CHLOROPLAST
THIOREDOXIN M CH2

(Chlamydomonas
reinhardtii) 		PF00085
(Thioredoxin) 		5 LEU A  57
ILE A  37
GLY A  91
ILE A  90
VAL A  24
 None
 1.14A 1d4yA-1dbyA:
undetectable		 1d4yA-1dbyA:
21.54
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.
1e1t LYSYL-TRNA
SYNTHETASE, HEAT
INDUCIBLE

(Escherichia
coli) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 LEU A 326
ALA A 379
ASP A 376
GLY A 419
ILE A 384
 None
None
None
None
GOL  A 609 ( 3.9A)
 1.12A 1d4yA-1e1tA:
undetectable		 1d4yA-1e1tA:
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 LEU A 235
ALA A 358
ASP A 357
GLY A  14
ILE A  12
 None
None
FAD  A 801 (-2.9A)
FAD  A 801 (-3.1A)
None
 0.97A 1d4yA-1fohA:
undetectable		 1d4yA-1fohA:
9.62
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.
1g29 MALTOSE TRANSPORT
PROTEIN MALK

(Thermococcus
litoralis) 		PF00005
(ABC_tran)
PF08402
(TOBE_2) 		5 ALA 1 250
ILE 1 286
GLY 1 288
ILE 1 289
VAL 1 333
 None
 1.12A 1d4yA-1g291:
undetectable		 1d4yA-1g291:
13.98
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
ALA A  28
ASP A  29
ASP A  30
ILE A  84
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.9A)
A79  A 800 (-3.8A)
 1.42A 1d4yA-1hvcA:
14.4		 1d4yA-1hvcA:
47.78
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) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
VAL A  82
 A79  A 800 (-3.4A)
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 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
 0.52A 1d4yA-1hvcA:
14.4		 1d4yA-1hvcA:
47.78
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) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
VAL A  82
 A79  A 800 (-3.6A)
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 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
 0.52A 1d4yA-1hvcA:
14.4		 1d4yA-1hvcA:
47.78
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 LEU A  23
ALA A  28
ASP A  29
GLY A  48
VAL A  82
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 (-4.5A)
 0.97A 1d4yA-1hvcA:
14.4		 1d4yA-1hvcA:
47.78
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.
1jax CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF03807
(F420_oxidored) 		5 LEU A   5
ALA A  61
ASP A  60
ILE A  87
VAL A  69
 None
 1.06A 1d4yA-1jaxA:
undetectable		 1d4yA-1jaxA:
17.91
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.
1lcy HTRA2 SERINE
PROTEASE

(Homo sapiens) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 LEU A 209
ALA A  97
ILE A  31
GLY A 174
VAL A  54
 None
 1.07A 1d4yA-1lcyA:
undetectable		 1d4yA-1lcyA:
15.24
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.
1pqu ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Haemophilus
influenzae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 354
ALA A  98
ASP A  97
GLY A   8
VAL A  16
 NAP  A1372 (-4.3A)
NAP  A1372 ( 4.0A)
None
NAP  A1372 (-3.1A)
None
 0.92A 1d4yA-1pquA:
undetectable		 1d4yA-1pquA:
14.02
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.
1s2t PHOSPHOENOLPYRUVATE
PHOSPHOMUTASE

(Mytilus edulis) 		PF13714
(PEP_mutase) 		5 LEU A  71
ALA A  32
GLY A  42
ILE A  23
VAL A 108
 None
 0.85A 1d4yA-1s2tA:
undetectable		 1d4yA-1s2tA:
17.03
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) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
 0.56A 1d4yA-1sivA:
18.4		 1d4yA-1sivA:
51.96
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.39A 1d4yA-1sivA:
18.4		 1d4yA-1sivA:
51.96
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 ARG A 141
ASP A  89
ASP A  60
ILE A  56
ILE A  36
 None
 1.11A 1d4yA-1sqjA:
undetectable		 1d4yA-1sqjA:
8.87
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.
1t4b ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Escherichia
coli) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LEU A 351
ALA A  97
ASP A  96
GLY A   8
VAL A  16
 None
 0.93A 1d4yA-1t4bA:
undetectable		 1d4yA-1t4bA:
16.13
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.
1wn1 DIPEPTIDASE

(Pyrococcus
horikoshii) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 LEU A 167
ILE A 182
GLY A 217
ILE A 227
VAL A 188
 None
 1.10A 1d4yA-1wn1A:
undetectable		 1d4yA-1wn1A:
14.89
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.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A  67
ALA A  57
ILE A  45
GLY A  24
VAL A  19
 None
 1.10A 1d4yA-2ag1A:
undetectable		 1d4yA-2ag1A:
12.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  53
GLY A  55
VAL A  87
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
 0.58A 1d4yA-2fmbA:
15.1		 1d4yA-2fmbA:
33.02
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.
2kho HEAT SHOCK PROTEIN
70

(Escherichia
coli) 		PF00012
(HSP70) 		5 ASP A 182
ILE A 169
GLY A 374
ILE A 373
VAL A 381
 None
 1.07A 1d4yA-2khoA:
undetectable		 1d4yA-2khoA:
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.
2oz8 MLL7089 PROTEIN

(Mesorhizobium
japonicum) 		PF13378
(MR_MLE_C) 		5 LEU A 219
ASP A 223
ASP A 194
GLY A 294
ILE A 293
 None
 0.98A 1d4yA-2oz8A:
undetectable		 1d4yA-2oz8A:
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.
2p25 GLYOXALASE FAMILY
PROTEIN

(Enterococcus
faecalis) 		PF00903
(Glyoxalase) 		5 ASP A 118
ASP A 116
ILE A  11
ILE A  43
VAL A  24
 None
 1.13A 1d4yA-2p25A:
undetectable		 1d4yA-2p25A:
18.46
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.
2qmi PBP RELATED
BETA-LACTAMASE

(Pyrococcus
abyssi) 		PF00144
(Beta-lactamase)
PF13969
(Pab87_oct) 		5 ASP A 436
ILE A 445
GLY A 372
ILE A 377
VAL A 381
 None
 1.11A 1d4yA-2qmiA:
undetectable		 1d4yA-2qmiA:
14.67
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.
2rgj FLAVIN-CONTAINING
MONOOXYGENASE

(Pseudomonas
aeruginosa) 		PF01494
(FAD_binding_3) 		5 LEU A 175
ALA A 311
ASP A 310
GLY A  11
ILE A   9
 None
None
FAD  A 403 (-2.7A)
FAD  A 403 (-3.2A)
None
 0.97A 1d4yA-2rgjA:
undetectable		 1d4yA-2rgjA:
14.72
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) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 AB1  A 501 ( 4.7A)
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 (-3.8A)
 0.38A 1d4yA-2rkfA:
20.9		 1d4yA-2rkfA:
84.85
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
 1.43A 1d4yA-2rkfA:
20.9		 1d4yA-2rkfA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ARG A  10
LEU A  35
ASP A  37
ALA A  40
ASP A  41
 None
 0.85A 1d4yA-2rspA:
12.8		 1d4yA-2rspA:
33.60
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.
2va8 SKI2-TYPE HELICASE

(Sulfolobus
solfataricus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ALA A 233
ASP A 232
GLY A 355
ILE A 354
VAL A 404
 None
 0.92A 1d4yA-2va8A:
undetectable		 1d4yA-2va8A:
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.
2xrm INTRACELLULAR
SUBTILISIN PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 ASP A  49
ILE A 115
GLY A  46
ILE A 149
VAL A 167
 None
 1.04A 1d4yA-2xrmA:
undetectable		 1d4yA-2xrmA:
16.67
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 ARG A 146
ASP A  94
ALA A  65
ILE A  55
ILE A  35
 None
 1.09A 1d4yA-3a0fA:
undetectable		 1d4yA-3a0fA:
8.53
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE

(Micrococcus
luteus) 		PF00348
(polyprenyl_synt) 		5 ASP B 211
ASP B 212
ILE B 167
GLY B 204
ILE B 203
 MG  B 328 (-3.1A)
None
None
None
None
 0.83A 1d4yA-3aqcB:
undetectable		 1d4yA-3aqcB:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3axs PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1

(Aquifex
aeolicus) 		PF02005
(TRM) 		5 LEU A  43
ASP A 132
GLY A  64
ILE A  68
VAL A  56
 None
SFG  A 501 (-3.7A)
None
None
None
 1.01A 1d4yA-3axsA:
undetectable		 1d4yA-3axsA:
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.
3gcd RTX TOXIN RTXA

(Vibrio cholerae) 		PF11713
(Peptidase_C80) 		5 LEU A  64
ASP A  41
GLY A 139
ILE A 137
VAL A  36
 None
None
AZ0  A 213 ( 3.8A)
None
None
 1.08A 1d4yA-3gcdA:
undetectable		 1d4yA-3gcdA:
19.00
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.
3gqj CELL INHIBITING
FACTOR (CIF)

(Photorhabdus
laumondii) 		PF16374
(CIF) 		5 LEU A 184
ASP A 275
ILE A 152
GLY A 150
VAL A 171
 None
 1.02A 1d4yA-3gqjA:
undetectable		 1d4yA-3gqjA:
17.96
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.
3gt7 SENSOR PROTEIN

(Syntrophus
aciditrophicus) 		PF00072
(Response_reg) 		5 ARG A 102
ALA A 108
ASP A 109
ILE A  59
VAL A  63
 None
 1.09A 1d4yA-3gt7A:
undetectable		 1d4yA-3gt7A:
21.62
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.
3hkz DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A'
DNA-DIRECTED RNA
POLYMERASE SUBUNIT B

(Sulfolobus
solfataricus) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
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)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 ARG B 751
ALA B 998
ILE A 342
GLY A 440
ILE B 874
 None
 1.09A 1d4yA-3hkzB:
undetectable		 1d4yA-3hkzB:
7.35
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.
3imh GALACTOSE-1-EPIMERAS
E

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		5 LEU A 127
ASP A 129
ILE A  72
GLY A 102
ILE A 103
 None
 1.07A 1d4yA-3imhA:
undetectable		 1d4yA-3imhA:
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.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 LEU A 153
ALA A 108
ASP A 111
ILE A 199
VAL A  86
 None
 1.04A 1d4yA-3l2zA:
undetectable		 1d4yA-3l2zA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ljp CHOLINE OXIDASE

(Arthrobacter
globiformis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 136
ALA A  27
ILE A 215
GLY A  94
VAL A 155
 None
 1.14A 1d4yA-3ljpA:
undetectable		 1d4yA-3ljpA:
10.50
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) 		5 ALA A  28
ASP A  29
ASP A  30
GLY A  48
VAL A  82
 None
 0.88A 1d4yA-3mwsA:
19.9		 1d4yA-3mwsA:
78.79
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
ILE A  50
VAL A  82
 None
 0.77A 1d4yA-3mwsA:
19.9		 1d4yA-3mwsA:
78.79
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.46A 1d4yA-3mwsA:
19.9		 1d4yA-3mwsA:
78.79
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
VAL A  82
 None
 0.60A 1d4yA-3mwsA:
19.9		 1d4yA-3mwsA:
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		5 ALA A 359
ASP A 358
ASP A 381
ILE A 380
GLY A  58
 None
 1.13A 1d4yA-3ooqA:
undetectable		 1d4yA-3ooqA:
13.27
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.
3oyr TRANS-ISOPRENYL
DIPHOSPHATE SYNTHASE

(Caulobacter
vibrioides) 		PF00348
(polyprenyl_synt) 		5 ALA A 221
ASP A 222
ASP A 223
ILE A 178
GLY A 215
 None
 1.09A 1d4yA-3oyrA:
undetectable		 1d4yA-3oyrA:
13.86
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 LEU A 121
ALA A 128
ASP A 130
ASP A 129
GLY A 192
 None
None
ZN  A 501 ( 4.6A)
ZN  A 502 ( 2.3A)
ZN  A 504 ( 3.9A)
 1.14A 1d4yA-3pfeA:
undetectable		 1d4yA-3pfeA:
15.25
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.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 LEU A 351
ALA A  96
ASP A  95
ILE A  69
GLY A   7
VAL A  15
 None
None
None
None
NAP  A 372 (-3.1A)
None
 1.08A 1d4yA-3pzrA:
undetectable		 1d4yA-3pzrA:
14.52
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) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 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
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 0.47A 1d4yA-3t3cA:
18.7		 1d4yA-3t3cA:
76.77
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) 		6 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
 1.25A 1d4yA-3t3cA:
18.7		 1d4yA-3t3cA:
76.77
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) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 017  A 201 ( 4.8A)
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 (-3.3A)
 0.48A 1d4yA-3ttpA:
19.7		 1d4yA-3ttpA:
78.79
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-3.3A)
 1.43A 1d4yA-3ttpA:
19.7		 1d4yA-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) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 None
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 201 ( 3.5A)
 0.44A 1d4yA-3u7sA:
20.0		 1d4yA-3u7sA:
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
ILE A  50
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
 1.35A 1d4yA-3u7sA:
20.0		 1d4yA-3u7sA:
78.79
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
 None
 0.77A 1d4yA-3uhlA:
16.0		 1d4yA-3uhlA:
78.79
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
VAL A  82
 None
 0.36A 1d4yA-3uhlA:
16.0		 1d4yA-3uhlA:
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.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 LEU A 355
ALA A  96
ASP A  95
ILE A  69
GLY A   7
VAL A  15
 None
 1.10A 1d4yA-3uw3A:
undetectable		 1d4yA-3uw3A:
13.56
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 LEU A 145
ILE A 122
GLY A  72
ILE A 149
VAL A  68
 None
 0.92A 1d4yA-4a9aA:
undetectable		 1d4yA-4a9aA:
15.69
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.
4axv MPAA

(Vibrio
campbellii) 		PF04952
(AstE_AspA) 		5 LEU A 174
ALA A 225
ASP A 224
GLY A  57
VAL A 208
 None
 1.12A 1d4yA-4axvA:
undetectable		 1d4yA-4axvA:
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.
4bb9 GLUCOKINASE
REGULATORY PROTEIN

(Homo sapiens) 		no annotation 5 ASP A 414
ILE A 365
GLY A 339
ILE A 341
VAL A 407
 None
 1.03A 1d4yA-4bb9A:
undetectable		 1d4yA-4bb9A:
11.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dzh AMIDOHYDROLASE

(Xanthomonas
campestris) 		PF01979
(Amidohydro_1) 		5 ALA A 355
ILE A  25
GLY A 370
ILE A 369
VAL A 381
 None
 1.01A 1d4yA-4dzhA:
undetectable		 1d4yA-4dzhA:
12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		5 LEU A   9
ILE A  87
GLY A 108
ILE A 110
VAL A  68
 None
 1.03A 1d4yA-4ex9A:
undetectable		 1d4yA-4ex9A:
14.78
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.
4jn7 ENOLASE

(Agrobacterium
tumefaciens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  23
ILE A 266
GLY A 270
ILE A  86
VAL A  21
 None
 1.08A 1d4yA-4jn7A:
undetectable		 1d4yA-4jn7A:
13.67
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.
4jwy GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2D

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 LEU A 264
ASP A 260
ILE A 112
GLY A 246
ILE A 117
 None
 1.09A 1d4yA-4jwyA:
undetectable		 1d4yA-4jwyA:
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.
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
 1.02A 1d4yA-4jxyA:
undetectable		 1d4yA-4jxyA:
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.
4jyj ENOYL-COA
HYDRATASE/ISOMERASE

(Novosphingobium
aromaticivorans) 		PF00378
(ECH_1) 		5 ALA A 120
ASP A 121
GLY A  54
ILE A  19
VAL A 105
 None
 0.88A 1d4yA-4jyjA:
undetectable		 1d4yA-4jyjA:
18.62
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.
4k3c OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

([Haemophilus]
ducreyi) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 ALA A 498
ASP A 685
ILE A 687
GLY A 668
ILE A 667
 None
 1.14A 1d4yA-4k3cA:
undetectable		 1d4yA-4k3cA:
10.34
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 ALA A 224
ASP A 225
ASP A 226
GLY A 218
ILE A 217
 None
 0.93A 1d4yA-4kkmA:
undetectable		 1d4yA-4kkmA:
18.04
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.
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
 1.01A 1d4yA-4krgA:
undetectable		 1d4yA-4krgA:
12.34
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.3A)
 0.61A 1d4yA-4njvA:
21.1		 1d4yA-4njvA:
85.86
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 1.49A 1d4yA-4njvA:
21.1		 1d4yA-4njvA:
85.86
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) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
ILE A  50
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
 0.41A 1d4yA-4njvA:
21.1		 1d4yA-4njvA:
85.86
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.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A6257
ALA A6205
ASP A6208
ILE A6454
VAL A6223
 None
 1.03A 1d4yA-4opfA:
undetectable		 1d4yA-4opfA:
14.21
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.
4p2f ADENYLATE CYCLASE

(Mycobacterium
tuberculosis) 		PF00211
(Guanylate_cyc) 		5 ALA A 323
ASP A 325
GLY A 423
ILE A 422
VAL A 392
 None
None
GOL  A 520 (-3.2A)
None
None
 1.13A 1d4yA-4p2fA:
undetectable		 1d4yA-4p2fA:
13.50
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 LEU A 168
ALA A 175
ASP A 176
ASP A 177
ILE A 118
 None
 0.85A 1d4yA-4ttpA:
undetectable		 1d4yA-4ttpA:
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.
4ttp DEPHOSPHO-COA KINASE

(Legionella
pneumophila) 		PF01121
(CoaE) 		5 LEU A 168
ALA A 175
ASP A 177
GLY A  12
ILE A 118
 None
 1.01A 1d4yA-4ttpA:
undetectable		 1d4yA-4ttpA:
16.51
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 ARG A  10
LEU A  30
ASP A  32
ALA A  35
ASP A  36
GLY A  58
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.58A 1d4yA-4ydfA:
13.4		 1d4yA-4ydfA:
32.17
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.
4ztu DNA POLYMERASE
SUBUNIT GAMMA-2,
MITOCHONDRIAL

(Homo sapiens) 		PF03129
(HGTP_anticodon) 		5 LEU B 190
ALA B 130
ASP B 129
GLY B 212
VAL B 240
 None
 1.12A 1d4yA-4ztuB:
undetectable		 1d4yA-4ztuB:
12.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ARG A   8
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.82A 1d4yA-5b18A:
18.1		 1d4yA-5b18A:
75.76
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.
5bnt ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		no annotation 5 LEU C 352
ALA C  97
ASP C  96
GLY C   8
VAL C  16
 None
NAP  C 500 ( 4.2A)
None
NAP  C 500 (-3.2A)
None
 1.02A 1d4yA-5bntC:
undetectable		 1d4yA-5bntC:
14.81
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.
5c53 POL GAMMA B

(Homo sapiens) 		PF03129
(HGTP_anticodon) 		5 LEU B 190
ALA B 130
ASP B 129
GLY B 212
VAL B 240
 None
 1.13A 1d4yA-5c53B:
undetectable		 1d4yA-5c53B:
7.42
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.
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 1d4yA-5c8sB:
undetectable		 1d4yA-5c8sB:
13.06
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 ARG A 147
ALA A  93
ILE A  79
GLY A   7
ILE A   6
 None
 1.13A 1d4yA-5d01A:
undetectable		 1d4yA-5d01A:
13.79
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.
5foi MYCINAMICIN VIII C21
METHYL HYDROXYLASE

(Micromonospora
griseorubida) 		PF00067
(p450) 		5 LEU A 267
ASP A 275
ILE A 378
GLY A 380
ILE A 381
 None
 1.10A 1d4yA-5foiA:
undetectable		 1d4yA-5foiA:
12.76
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.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 LEU A  57
ALA A 176
ASP A 177
GLY A 172
ILE A 171
 None
 1.07A 1d4yA-5gleA:
undetectable		 1d4yA-5gleA:
19.50
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.
5h9d FARNESYL
PYROPHOSPHATE
SYNTHETASE

(Staphylococcus
aureus) 		PF00348
(polyprenyl_synt) 		5 ASP A 209
ASP A 210
ILE A 165
GLY A 202
ILE A 201
 None
 0.78A 1d4yA-5h9dA:
undetectable		 1d4yA-5h9dA:
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 LEU A1105
ASP A1373
ILE A 864
GLY A1065
VAL A1384
 None
 1.10A 1d4yA-5ip9A:
undetectable		 1d4yA-5ip9A:
4.83
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.
5kk5 CRISPR-ASSOCIATED
ENDONUCLEASE CPF1

(Acidaminococcus
sp. BV3L6) 		no annotation 5 LEU A  66
ILE A 121
GLY A 112
ILE A 111
VAL A  69
 None
 1.07A 1d4yA-5kk5A:
undetectable		 1d4yA-5kk5A:
6.03
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.
5l39 RMM MICROCOMPARTMENT
SHELL PROTEIN
MSM0275

(Mycolicibacterium
smegmatis) 		PF00936
(BMC) 		5 LEU A  55
ALA A  90
ASP A  88
ILE A  38
VAL A  60
 None
 1.07A 1d4yA-5l39A:
undetectable		 1d4yA-5l39A:
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.
5lxz SECRETED PROTEIN

(Streptomyces
lividans) 		PF07646
(Kelch_2)
PF09118
(DUF1929) 		5 ASP B 428
ALA B 431
ASP B 432
ASP B 433
VAL B 437
 None
 0.99A 1d4yA-5lxzB:
undetectable		 1d4yA-5lxzB:
9.91
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
ILE A  50
 None
 0.45A 1d4yA-5t2zA:
20.0		 1d4yA-5t2zA:
78.79
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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
ILE A  50
 None
 1.49A 1d4yA-5t2zA:
20.0		 1d4yA-5t2zA:
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.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 ALA A 170
ASP A 172
GLY A 164
ILE A 163
VAL A 137
 None
 1.07A 1d4yA-5u2wA:
undetectable		 1d4yA-5u2wA:
15.23
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.
5wu7 UNCHARACTERIZED
PROTEIN

(Pyrococcus
horikoshii) 		PF03065
(Glyco_hydro_57)
PF09210
(DUF1957) 		5 ALA A 259
ILE A 387
GLY A 180
ILE A 181
VAL A 222
 None
 1.09A 1d4yA-5wu7A:
undetectable		 1d4yA-5wu7A:
11.23
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.
5xgv PYRE3

(Streptomyces
rugosporus) 		no annotation 5 LEU A 155
ALA A 276
ASP A 275
GLY A  14
ILE A   7
 FAD  A 501 ( 4.3A)
None
FAD  A 501 (-3.1A)
None
None
 1.01A 1d4yA-5xgvA:
undetectable		 1d4yA-5xgvA:
23.66
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.
6bac ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		no annotation 5 LEU A 352
ALA A  97
ASP A  96
GLY A   7
VAL A  15
 None
 0.99A 1d4yA-6bacA:
undetectable		 1d4yA-6bacA:
13.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		7 ARG A  13
LEU A  28
ASP A  30
ALA A  33
ASP A  34
GLY A  58
VAL A  99
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
None
 0.59A 1d4yA-6fivA:
15.4		 1d4yA-6fivA:
30.58
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
 0.61A 1d4yA-6upjA:
18.2		 1d4yA-6upjA:
49.49
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 ARG A   8
LEU A  23
ASP A  25
ASP A  29
ASP A  30
GLY A  49
ILE A  50
 None
None
NIU  A 100 (-2.8A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.73A 1d4yA-6upjA:
18.2		 1d4yA-6upjA:
49.49
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) 		6 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  49
ILE A  50
 None
None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 1.15A 1d4yA-6upjA:
18.2		 1d4yA-6upjA:
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.
1a21 TISSUE FACTOR

(Oryctolagus
cuniculus) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		4 LEU A 121
ALA A 166
VAL A 177
ILE A 175
 None
 0.65A 1d4yB-1a21A:
undetectable		 1d4yB-1a21A:
17.35
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.
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
 0.67A 1d4yB-1bbuA:
0.0		 1d4yB-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.
1cmx PROTEIN (UBIQUITIN
YUH1-UBAL)

(Saccharomyces
cerevisiae) 		PF01088
(Peptidase_C12) 		4 ARG A 208
LEU A  39
GLY A 232
ILE A  36
 None
 0.53A 1d4yB-1cmxA:
undetectable		 1d4yB-1cmxA:
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.
1d2f MALY PROTEIN

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 LEU A 167
ALA A 120
VAL A 114
ILE A 116
 None
 0.63A 1d4yB-1d2fA:
undetectable		 1d4yB-1d2fA:
13.51
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.
1dlm CATECHOL
1,2-DIOXYGENASE

(Acinetobacter
sp. ADP1) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 LEU A 290
ALA A 151
GLY A 119
ILE A 140
 None
 0.68A 1d4yB-1dlmA:
0.0		 1d4yB-1dlmA:
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.
1dys ENDOGLUCANASE

(Humicola
insolens) 		PF01341
(Glyco_hydro_6) 		4 LEU A 170
ILE A  66
VAL A 134
ILE A 175
 None
 0.71A 1d4yB-1dysA:
undetectable		 1d4yB-1dysA:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.65A 1d4yB-1e1tA:
0.0		 1d4yB-1e1tA:
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.
1ek6 UDP-GALACTOSE
4-EPIMERASE

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		4 LEU A  68
ALA A  89
ILE A 164
ILE A  67
 None
NAI  A 400 (-3.7A)
None
NAI  A 400 (-3.8A)
 0.69A 1d4yB-1ek6A:
undetectable		 1d4yB-1ek6A:
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.
1g5g FUSION PROTEIN

(Avian
avulavirus 1) 		PF00523
(Fusion_gly) 		4 LEU A 386
GLY A  41
ILE A  42
ILE A 391
 None
 0.64A 1d4yB-1g5gA:
undetectable		 1d4yB-1g5gA:
11.64
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.
1gq7 PROCLAVAMINATE
AMIDINO HYDROLASE

(Streptomyces
clavuligerus) 		PF00491
(Arginase) 		4 ALA A 244
ILE A 292
VAL A 277
ILE A 236
 None
 0.66A 1d4yB-1gq7A:
undetectable		 1d4yB-1gq7A:
18.03
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.
1gzj EGI

(Thermoascus
aurantiacus) 		PF00150
(Cellulase) 		4 ALA A 173
GLY A 236
ILE A 237
ILE A 222
 None
 0.71A 1d4yB-1gzjA:
undetectable		 1d4yB-1gzjA:
14.43
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
ALA A  28
GLY A  49
ILE A  50
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
 0.58A 1d4yB-1hvcA:
14.1		 1d4yB-1hvcA:
47.78
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
ALA A  28
GLY A  49
ILE A  50
VAL A  82
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
 0.53A 1d4yB-1hvcA:
14.1		 1d4yB-1hvcA:
47.78
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
GLY A  49
 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)
 0.48A 1d4yB-1hvcA:
14.1		 1d4yB-1hvcA:
47.78
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
VAL A  82
 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 (-4.5A)
 0.44A 1d4yB-1hvcA:
14.1		 1d4yB-1hvcA:
47.78
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)
 1.04A 1d4yB-1hvcA:
14.1		 1d4yB-1hvcA:
47.78
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 1d4yB-1hvcA:
14.1		 1d4yB-1hvcA:
47.78
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
ALA A  28
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.53A 1d4yB-1hvcA:
14.1		 1d4yB-1hvcA:
47.78
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
ALA A  28
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.54A 1d4yB-1hvcA:
14.1		 1d4yB-1hvcA:
47.78
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
GLY A  49
VAL A  82
ILE A  84
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.7A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.44A 1d4yB-1hvcA:
14.1		 1d4yB-1hvcA:
47.78
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
GLY A  49
VAL A  82
ILE A  84
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.46A 1d4yB-1hvcA:
14.1		 1d4yB-1hvcA:
47.78
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.
1ith HEMOGLOBIN (CYANO
MET)

(Urechis caupo) 		PF00042
(Globin) 		5 LEU A  79
ALA A 128
GLY A 112
VAL A  76
ILE A  10
 None
 1.16A 1d4yB-1ithA:
undetectable		 1d4yB-1ithA:
20.69
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.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		4 ALA A  66
GLY A  63
ILE A  93
ILE A  78
 None
 0.64A 1d4yB-1jftA:
undetectable		 1d4yB-1jftA:
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.
1jwq N-ACETYLMURAMOYL-L-A
LANINE AMIDASE CWLV

(Paenibacillus
polymyxa) 		PF01520
(Amidase_3) 		4 LEU A 141
ILE A  40
VAL A  77
ILE A  79
 None
 0.69A 1d4yB-1jwqA:
undetectable		 1d4yB-1jwqA:
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 LEU A 452
ALA A 401
GLY A 166
ILE A 453
 None
 0.66A 1d4yB-1ot5A:
undetectable		 1d4yB-1ot5A:
11.50
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.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		4 GLY A  68
ILE A  72
VAL A  60
ILE A 134
 None
 0.70A 1d4yB-1r8yA:
undetectable		 1d4yB-1r8yA:
18.80
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.
1rif DNA HELICASE UVSW

(Escherichia
virus T4) 		PF04851
(ResIII) 		4 ALA A 237
GLY A 257
ILE A 132
ILE A 242
 None
None
AU  A 287 ( 4.7A)
None
 0.70A 1d4yB-1rifA:
undetectable		 1d4yB-1rifA:
14.89
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  84
 None
 0.63A 1d4yB-1sivA:
18.4		 1d4yB-1sivA:
51.96
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
GLY A  49
ILE A  50
ILE A  84
 None
 0.76A 1d4yB-1sivA:
18.4		 1d4yB-1sivA:
51.96
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 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  84
 None
 0.55A 1d4yB-1sivA:
18.4		 1d4yB-1sivA:
51.96
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.
1usy ATP
PHOSPHORIBOSYLTRANSF
ERASE REGULATORY
SUBUNIT

(Thermotoga
maritima) 		PF13393
(tRNA-synt_His) 		4 ALA C 251
ILE C 238
VAL C 109
ILE C 113
 None
 0.63A 1d4yB-1usyC:
undetectable		 1d4yB-1usyC:
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.
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)
 0.70A 1d4yB-1vd6A:
undetectable		 1d4yB-1vd6A:
18.58
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.
1w8a SLIT PROTEIN

(Drosophila
melanogaster) 		PF00560
(LRR_1)
PF01462
(LRRNT)
PF01463
(LRRCT)
PF13855
(LRR_8) 		4 GLY A 609
ILE A 610
VAL A 658
ILE A 655
 None
 0.53A 1d4yB-1w8aA:
undetectable		 1d4yB-1w8aA:
21.08
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.
1wdt ELONGATION FACTOR G
HOMOLOG

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		4 ALA A 237
GLY A 231
VAL A 208
ILE A 212
 None
 0.65A 1d4yB-1wdtA:
undetectable		 1d4yB-1wdtA:
9.02
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.
1xfb ALDOLASE C

(Homo sapiens) 		PF00274
(Glycolytic) 		5 ARG A  60
LEU A  63
ALA A 332
GLY A  29
ILE A  30
 None
 1.48A 1d4yB-1xfbA:
undetectable		 1d4yB-1xfbA:
16.36
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.
1ysr SENSOR-TYPE
HISTIDINE KINASE
PRRB

(Mycobacterium
tuberculosis) 		PF02518
(HATPase_c) 		5 LEU A 309
ALA A 367
GLY A 373
VAL A 304
ILE A 306
 None
None
TRS  A1001 (-3.3A)
None
None
 1.14A 1d4yB-1ysrA:
undetectable		 1d4yB-1ysrA:
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 LEU A 362
ALA A 588
GLY A 582
ILE A 416
 None
 0.66A 1d4yB-1z8lA:
undetectable		 1d4yB-1z8lA:
8.56
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.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 LEU A 256
ALA A 180
VAL A 107
ILE A 109
 None
 0.63A 1d4yB-2bihA:
undetectable		 1d4yB-2bihA:
13.07
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.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 LEU A 256
ALA A 180
VAL A 107
ILE A 109
 None
 0.57A 1d4yB-2biiA:
undetectable		 1d4yB-2biiA:
14.02
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.
2bwa ENDOGLUCANASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		4 LEU A   5
GLY A 205
VAL A  36
ILE A  34
 None
 0.66A 1d4yB-2bwaA:
undetectable		 1d4yB-2bwaA:
18.64
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli) 		PF12706
(Lactamase_B_2) 		4 ALA A 297
ILE A   4
VAL A 228
ILE A 267
 None
 0.70A 1d4yB-2cbnA:
undetectable		 1d4yB-2cbnA:
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.
2d1g ACID PHOSPHATASE

(Francisella
tularensis) 		PF04185
(Phosphoesterase) 		4 ALA A  25
GLY A 312
ILE A 311
VAL A  38
 None
 0.64A 1d4yB-2d1gA:
undetectable		 1d4yB-2d1gA:
12.11
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.
2dr3 UPF0273 PROTEIN
PH0284

(Pyrococcus
horikoshii) 		PF06745
(ATPase) 		4 ALA A 129
GLY A  84
VAL A  89
ILE A  55
 None
 0.70A 1d4yB-2dr3A:
undetectable		 1d4yB-2dr3A:
18.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 LEU A  36
GLY A  88
ILE A  87
VAL A  75
ILE A  18
 None
 1.11A 1d4yB-2e8yA:
undetectable		 1d4yB-2e8yA:
8.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ep5 350AA LONG
HYPOTHETICAL
ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 LEU A 265
GLY A 326
VAL A 287
ILE A 285
 None
 0.66A 1d4yB-2ep5A:
undetectable		 1d4yB-2ep5A:
14.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f3o PYRUVATE
FORMATE-LYASE 2

(Archaeoglobus
fulgidus) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 ARG A  18
LEU A  69
GLY A  83
ILE A  86
ILE A  76
 None
 1.23A 1d4yB-2f3oA:
undetectable		 1d4yB-2f3oA:
9.24
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		5 LEU A 321
ALA A 306
GLY A 269
ILE A 289
ILE A 320
 None
 1.49A 1d4yB-2f8lA:
undetectable		 1d4yB-2f8lA:
14.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  55
VAL A  87
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.53A 1d4yB-2fmbA:
15.2		 1d4yB-2fmbA:
33.02
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.
2frv PERIPLASMIC
HYDROGENASE

(Desulfovibrio
gigas) 		no annotation 4 GLY L 508
ILE L 507
VAL L 524
ILE L 520
 None
 0.69A 1d4yB-2frvL:
undetectable		 1d4yB-2frvL:
11.46
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.
2fvm DIHYDROPYRIMIDINASE

(Lachancea
kluyveri) 		PF01979
(Amidohydro_1) 		5 ALA A 277
GLY A 346
ILE A 343
VAL A 264
ILE A 265
 None
 1.18A 1d4yB-2fvmA:
undetectable		 1d4yB-2fvmA:
12.81
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.
2ioy PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Caldanaerobacter
subterraneus) 		PF13407
(Peripla_BP_4) 		4 ALA A  27
GLY A 245
VAL A  36
ILE A  34
 None
 0.60A 1d4yB-2ioyA:
undetectable		 1d4yB-2ioyA:
18.51
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.
2n0s FERREDOXIN,
CHLOROPLASTIC

(Chlamydomonas
reinhardtii) 		PF00111
(Fer2) 		4 LEU B   5
ALA B  29
VAL B   3
ILE B  14
 None
 0.70A 1d4yB-2n0sB:
undetectable		 1d4yB-2n0sB:
24.07
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.
2n76 DE NOVO DESIGNED
PROTEIN LFR1

(synthetic
construct) 		no annotation 5 LEU A  55
ALA A  18
GLY A  51
VAL A   8
ILE A  10
 None
 1.48A 1d4yB-2n76A:
undetectable		 1d4yB-2n76A:
21.43
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.
2oca ATP-DEPENDENT DNA
HELICASE UVSW

(Escherichia
virus T4) 		PF00271
(Helicase_C)
PF04851
(ResIII) 		4 ALA A 237
GLY A 257
ILE A 132
ILE A 242
 None
 0.70A 1d4yB-2ocaA:
undetectable		 1d4yB-2ocaA:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oej 2,3-DIKETO-5-METHYLT
HIOPENTYL-1-PHOSPHAT
E ENOLASE

(Geobacillus
kaustophilus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 LEU A 298
ALA A 294
GLY A 126
ILE A 130
 None
 0.69A 1d4yB-2oejA:
undetectable		 1d4yB-2oejA:
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.
2p0l LIPOATE-PROTEIN
LIGASE A

(Streptococcus
agalactiae) 		PF03099
(BPL_LplA_LipB) 		4 LEU A  49
ILE A 240
VAL A  13
ILE A  15
 None
 0.62A 1d4yB-2p0lA:
undetectable		 1d4yB-2p0lA:
17.06
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.
2qxl HEAT SHOCK PROTEIN
HOMOLOG SSE1

(Saccharomyces
cerevisiae) 		PF00012
(HSP70) 		4 LEU A   7
ILE A 163
VAL A 141
ILE A 143
 None
 0.64A 1d4yB-2qxlA:
undetectable		 1d4yB-2qxlA:
9.91
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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 ( 4.2A)
 0.49A 1d4yB-2rkfA:
20.5		 1d4yB-2rkfA:
84.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rsp RSV PROTEASE

(Rous sarcoma
virus) 		PF00077
(RVP) 		5 ARG A  10
LEU A  35
ASP A  37
ALA A  40
ILE A 108
 None
 0.82A 1d4yB-2rspA:
12.9		 1d4yB-2rspA:
33.60
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 ARG A 210
ALA A 332
GLY A 329
ILE A 234
 OMT  A2473 (-3.9A)
None
None
None
 0.68A 1d4yB-2vdcA:
undetectable		 1d4yB-2vdcA:
6.30
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.
2vvt GLUTAMATE RACEMASE

(Enterococcus
faecalis) 		PF01177
(Asp_Glu_race) 		4 LEU A  89
ILE A  33
VAL A  93
ILE A  91
 None
 0.59A 1d4yB-2vvtA:
undetectable		 1d4yB-2vvtA:
20.49
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.
2x0f WSAF

(Geobacillus
stearothermophilus) 		no annotation 4 LEU A 351
ALA A 335
GLY A 318
ILE A 358
 None
 0.68A 1d4yB-2x0fA:
undetectable		 1d4yB-2x0fA:
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.
2xa7 AP-2 COMPLEX SUBUNIT
BETA

(Homo sapiens) 		PF01602
(Adaptin_N) 		4 LEU B 396
ALA B 410
ILE B 451
ILE B 399
 None
 0.71A 1d4yB-2xa7B:
undetectable		 1d4yB-2xa7B:
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ASP A1401
GLY A1409
ILE A1410
VAL A1428
ILE A1389
 None
 0.90A 1d4yB-2y23A:
undetectable		 1d4yB-2y23A:
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.
2y3s TAML

(Streptomyces
sp. 307-9) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 ALA A 344
GLY A 247
VAL A 372
ILE A 400
 None
 0.58A 1d4yB-2y3sA:
undetectable		 1d4yB-2y3sA:
9.70
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.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Peptoniphilus
asaccharolyticus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 LEU A 317
ALA A 213
GLY A 236
ILE A 231
ILE A 208
 None
 1.12A 1d4yB-2yfqA:
undetectable		 1d4yB-2yfqA:
14.91
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.
2yln PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		5 LEU A 188
ALA A 196
ILE A 154
VAL A 218
ILE A 191
 None
 1.34A 1d4yB-2ylnA:
undetectable		 1d4yB-2ylnA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yxb COENZYME
B12-DEPENDENT MUTASE

(Aeropyrum
pernix) 		PF02310
(B12-binding) 		5 ARG A  90
LEU A  87
GLY A  76
ILE A  75
ILE A  79
 None
 1.35A 1d4yB-2yxbA:
undetectable		 1d4yB-2yxbA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z3b ATP-DEPENDENT
PROTEASE HSLV

(Bacillus
subtilis) 		PF00227
(Proteasome) 		4 LEU A 111
ALA A  10
GLY A  21
ILE A 102
 None
 0.69A 1d4yB-2z3bA:
undetectable		 1d4yB-2z3bA:
18.58
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.
2z61 PROBABLE ASPARTATE
AMINOTRANSFERASE 2

(Methanocaldococcus
jannaschii) 		PF00155
(Aminotran_1_2) 		4 ALA A 321
GLY A 335
ILE A 336
ILE A  17
 None
 0.68A 1d4yB-2z61A:
undetectable		 1d4yB-2z61A:
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.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		5 LEU A 681
ALA A 661
GLY A 655
VAL A 692
ILE A 687
 None
 1.02A 1d4yB-2zj8A:
undetectable		 1d4yB-2zj8A:
9.55
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.
3a0u RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg) 		4 ALA A  74
ILE A  77
VAL A  63
ILE A  67
 PG4  A 205 (-4.1A)
None
None
None
 0.46A 1d4yB-3a0uA:
undetectable		 1d4yB-3a0uA:
21.60
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.
3b7m CELLULASE

(Rhodothermus
marinus) 		PF01670
(Glyco_hydro_12) 		4 LEU A   5
GLY A 196
VAL A  36
ILE A  34
 None
 0.70A 1d4yB-3b7mA:
undetectable		 1d4yB-3b7mA:
19.43
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.
3btp SINGLE-STRAND
DNA-BINDING PROTEIN

(Agrobacterium
fabrum) 		PF07229
(VirE2) 		4 LEU A 151
ILE A 265
VAL A 120
ILE A 118
 None
 0.69A 1d4yB-3btpA:
undetectable		 1d4yB-3btpA:
10.49
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.
3c24 PUTATIVE
OXIDOREDUCTASE

(Jannaschia sp.
CCS1) 		PF03807
(F420_oxidored)
PF16896
(PGDH_C) 		4 ALA A  39
GLY A  23
ILE A  26
ILE A  55
 None
 0.63A 1d4yB-3c24A:
undetectable		 1d4yB-3c24A:
16.48
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.
3cg0 RESPONSE REGULATOR
RECEIVER MODULATED
DIGUANYLATE CYCLASE
WITH PAS/PAC SENSOR

(Desulfovibrio
alaskensis) 		PF00072
(Response_reg) 		4 LEU A  57
ILE A  25
VAL A  10
ILE A  12
 None
 0.63A 1d4yB-3cg0A:
undetectable		 1d4yB-3cg0A:
20.71
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.
3clj PROTEIN NRD1

(Saccharomyces
cerevisiae) 		PF04818
(CTD_bind) 		5 LEU A 108
GLY A  73
ILE A  72
VAL A 104
ILE A 105
 None
 1.08A 1d4yB-3cljA:
undetectable		 1d4yB-3cljA:
20.39
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.
3cps GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Cryptosporidium
parvum) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 ALA A 271
GLY A 185
ILE A 186
VAL A 280
ILE A 276
 None
 1.29A 1d4yB-3cpsA:
undetectable		 1d4yB-3cpsA:
14.63
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.
3deg GTP-BINDING PROTEIN
LEPA

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		5 LEU C  20
GLY C  97
ILE C 180
VAL C 101
ILE C   9
 None
 1.06A 1d4yB-3degC:
undetectable		 1d4yB-3degC:
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.
3dfy MUCONATE
CYCLOISOMERASE

(Thermotoga
maritima) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLY A 291
ILE A 290
VAL A 157
ILE A 186
 None
 0.66A 1d4yB-3dfyA:
undetectable		 1d4yB-3dfyA:
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.
3dhu ALPHA-AMYLASE

(Lactobacillus
plantarum) 		PF00128
(Alpha-amylase) 		4 LEU A 358
ILE A 298
VAL A 366
ILE A 368
 None
 0.68A 1d4yB-3dhuA:
undetectable		 1d4yB-3dhuA:
11.14
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.
3dr5 PUTATIVE
O-METHYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF13578
(Methyltransf_24) 		4 LEU A  45
ALA A  60
ILE A  63
ILE A  74
 None
 0.69A 1d4yB-3dr5A:
undetectable		 1d4yB-3dr5A:
16.07
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.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF00464
(SHMT) 		4 ALA A 333
GLY A 338
VAL A 364
ILE A 362
 None
 0.53A 1d4yB-3g8mA:
undetectable		 1d4yB-3g8mA:
15.32
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.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609

(Methanocaldococcus
jannaschii) 		PF13520
(AA_permease_2) 		4 ALA C 296
GLY C 323
ILE C 326
VAL C 133
 None
 0.59A 1d4yB-3gi8C:
undetectable		 1d4yB-3gi8C:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gzj POLYNEURIDINE-ALDEHY
DE ESTERASE

(Rauvolfia
serpentina) 		PF00561
(Abhydrolase_1) 		4 LEU A 258
ALA A 209
ILE A 104
ILE A 261
 None
 0.70A 1d4yB-3gzjA:
undetectable		 1d4yB-3gzjA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdy UDP-GALACTOPYRANOSE
MUTASE

(Deinococcus
radiodurans) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 LEU A 230
ALA A  49
ILE A 256
VAL A 237
ILE A 235
 None
 0.81A 1d4yB-3hdyA:
undetectable		 1d4yB-3hdyA:
11.84
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.
3hmb N-ACETYLMURAMOYL-L-A
LANINE AMIDASE XLYA

(Bacillus
subtilis) 		PF01510
(Amidase_2) 		4 LEU A  47
ALA A  13
GLY A  18
ILE A   9
 None
 0.67A 1d4yB-3hmbA:
undetectable		 1d4yB-3hmbA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3htn PUTATIVE DNA BINDING
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03479
(DUF296) 		4 LEU A 117
GLY A  89
ILE A 152
ILE A 114
 None
 0.67A 1d4yB-3htnA:
undetectable		 1d4yB-3htnA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		4 LEU A 121
ASP A 158
GLY A 282
VAL A  79
 None
 0.71A 1d4yB-3ianA:
undetectable		 1d4yB-3ianA:
13.93
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.
3kal HOMOGLUTATHIONE
SYNTHETASE

(Glycine max) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 LEU A 234
ALA A 320
GLY A 280
VAL A 284
ILE A 289
 None
 1.33A 1d4yB-3kalA:
undetectable		 1d4yB-3kalA:
11.09
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.
3kly PUTATIVE FORMATE
TRANSPORTER 1

(Vibrio cholerae) 		PF01226
(Form_Nir_trans) 		4 GLY A 123
ILE A 126
VAL A  49
ILE A  46
 None
 0.68A 1d4yB-3klyA:
undetectable		 1d4yB-3klyA:
17.84
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.
3kux PUTATIVE
OXIDOREDUCTASE

(Yersinia pestis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 ALA A 236
GLY A 277
ILE A 278
ILE A 239
 None
 0.71A 1d4yB-3kuxA:
undetectable		 1d4yB-3kuxA:
16.55
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.
3mve UPF0255 PROTEIN
VV1_0328

(Vibrio
vulnificus) 		PF06500
(DUF1100) 		5 ALA A 360
GLY A 270
ILE A 269
VAL A 356
ILE A 358
 None
 1.17A 1d4yB-3mveA:
undetectable		 1d4yB-3mveA:
11.33
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) 		7 LEU A  23
ASP A  25
ALA A  28
GLY A  49
ILE A  50
VAL A  82
ILE A  84
 None
 0.61A 1d4yB-3mwsA:
19.5		 1d4yB-3mwsA:
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.
3n0w ABC BRANCHED CHAIN
AMINO ACID FAMILY
TRANSPORTER,
PERIPLASMIC LIGAND
BINDING PROTEIN

(Paraburkholderia
xenovorans) 		PF13458
(Peripla_BP_6) 		5 ARG A  86
LEU A 112
ALA A 120
GLY A  30
ILE A 109
 None
 1.14A 1d4yB-3n0wA:
undetectable		 1d4yB-3n0wA:
14.09
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.
3n2o BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Vibrio
vulnificus) 		PF02784
(Orn_Arg_deC_N) 		4 LEU A  99
GLY A 203
VAL A 339
ILE A 341
 None
 0.56A 1d4yB-3n2oA:
undetectable		 1d4yB-3n2oA:
9.98
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.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		4 ALA A 235
GLY A 230
ILE A 229
ILE A  23
 None
 0.70A 1d4yB-3ncyA:
undetectable		 1d4yB-3ncyA:
12.87
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.
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		4 ALA A 132
GLY A 127
ILE A 126
ILE A 165
 None
 0.65A 1d4yB-3nvsA:
undetectable		 1d4yB-3nvsA:
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.
3o8l 6-PHOSPHOFRUCTOKINAS
E, MUSCLE TYPE

(Oryctolagus
cuniculus) 		PF00365
(PFK) 		4 LEU A 711
ILE A 425
VAL A 523
ILE A 525
 None
 0.71A 1d4yB-3o8lA:
undetectable		 1d4yB-3o8lA:
9.25
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.
3ot6 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF00378
(ECH_1) 		4 LEU A 143
ALA A 107
GLY A  60
ILE A  26
 None
 0.67A 1d4yB-3ot6A:
undetectable		 1d4yB-3ot6A:
17.57