SIMILAR PATTERNS OF AMINO ACIDS FOR 3OXW_D_017D200_1

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.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		5 LEU A 219
GLY A  18
GLY A  40
VAL A  39
VAL A 245
 None
 1.00A 3oxwC-1a80A:
undetectable		 3oxwC-1a80A:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e69 CHROMOSOME
SEGREGATION SMC
PROTEIN

(Thermotoga
maritima) 		PF02463
(SMC_N) 		5 LEU A1092
GLY A1085
ALA A1087
GLY A1043
VAL A1026
 None
 0.98A 3oxwC-1e69A:
undetectable		 3oxwC-1e69A:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 226
GLY A 231
ALA A 232
ASP A 233
ILE A 215
 None
 0.94A 3oxwC-1h2bA:
undetectable		 3oxwC-1h2bA:
15.54
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  29
GLY A  48
VAL A  82
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 (-3.6A)
A79  A 800 (-4.5A)
 0.82A 3oxwC-1hvcA:
14.0		 3oxwC-1hvcA:
47.29
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  29
GLY A  48
VAL A  82
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 (-4.5A)
 0.92A 3oxwC-1hvcA:
14.0		 3oxwC-1hvcA:
47.29
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
VAL A  82
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
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 (-4.5A)
 0.35A 3oxwC-1hvcA:
14.0		 3oxwC-1hvcA:
47.29
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
VAL A  82
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
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 (-4.5A)
 0.37A 3oxwC-1hvcA:
14.0		 3oxwC-1hvcA:
47.29
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 LEU A 559
GLY A 531
ALA A 532
GLY A 537
VAL A 211
 None
None
None
NA  A3002 ( 4.5A)
None
 1.03A 3oxwC-1m64A:
undetectable		 3oxwC-1m64A:
11.55
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.
1on9 METHYLMALONYL-COA
CARBOXYLTRANSFERASE
12S SUBUNIT

(Propionibacterium
freudenreichii) 		PF01039
(Carboxyl_trans) 		5 GLY A 425
ALA A 426
ASP A 427
VAL A 355
VAL A 369
 None
 0.82A 3oxwC-1on9A:
undetectable		 3oxwC-1on9A:
11.32
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.
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
 1.00A 3oxwC-1pquA:
undetectable		 3oxwC-1pquA:
14.82
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
 None
 0.41A 3oxwC-1q9pA:
10.5		 3oxwC-1q9pA:
89.47
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.
1qyc PHENYLCOUMARAN
BENZYLIC ETHER
REDUCTASE PT1

(Pinus taeda) 		PF05368
(NmrA) 		5 LEU A 250
GLY A 181
ILE A 270
GLY A 274
VAL A 124
 None
 1.01A 3oxwC-1qycA:
undetectable		 3oxwC-1qycA:
15.53
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.
1rgy BETA-LACTAMASE

(Citrobacter
freundii) 		PF00144
(Beta-lactamase) 		5 LEU A  62
ILE A 155
GLY A  71
VAL A  72
VAL A 223
 None
 0.89A 3oxwC-1rgyA:
undetectable		 3oxwC-1rgyA:
15.22
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.
1s6r BETA-LACTAMASE

(Enterobacter
cloacae) 		PF00144
(Beta-lactamase) 		5 LEU A  62
ILE A 155
GLY A  71
VAL A  72
VAL A 223
 None
 0.89A 3oxwC-1s6rA:
undetectable		 3oxwC-1s6rA:
14.21
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  48
 None
 0.84A 3oxwC-1sivA:
18.7		 3oxwC-1sivA:
48.48
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.22A 3oxwC-1sivA:
18.7		 3oxwC-1sivA:
48.48
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) 		6 LEU A  24
GLY A  27
ALA A  28
ASP A  29
ASP A  30
VAL A  22
 None
 1.48A 3oxwC-1sivA:
18.7		 3oxwC-1sivA:
48.48
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.
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
 1.01A 3oxwC-1t4bA:
undetectable		 3oxwC-1t4bA:
17.01
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.
1tlg POLYANDROCARPA
LECTIN

(Polyandrocarpa
misakiensis) 		PF00059
(Lectin_C) 		5 LEU A  81
GLY A  56
ALA A  57
ASP A  58
GLY A  72
 None
 0.88A 3oxwC-1tlgA:
undetectable		 3oxwC-1tlgA:
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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 LEU A 184
GLY A 188
ALA A 189
ASP A 190
VAL A 127
 None
 0.76A 3oxwC-1to3A:
undetectable		 3oxwC-1to3A:
12.09
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 539
ALA A 538
ASP A 537
GLY A 529
VAL A 474
 None
 0.93A 3oxwC-1yr2A:
undetectable		 3oxwC-1yr2A:
8.60
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.
1yw4 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Chromobacterium
violaceum) 		PF04952
(AstE_AspA) 		5 LEU A  85
GLY A  35
ASP A  67
GLY A  54
VAL A  55
 None
 0.98A 3oxwC-1yw4A:
undetectable		 3oxwC-1yw4A:
14.39
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.
2b3x IRON-RESPONSIVE
ELEMENT BINDING
PROTEIN 1

(Homo sapiens) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 GLY A  90
ALA A  93
ASP A  96
ILE A 224
GLY A 222
 None
 1.02A 3oxwC-2b3xA:
undetectable		 3oxwC-2b3xA:
8.54
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 497
ALA A 496
ASP A 495
GLY A 487
VAL A 430
 None
 0.98A 3oxwC-2bklA:
undetectable		 3oxwC-2bklA:
10.79
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.
2d1q LUCIFERIN
4-MONOOXYGENASE

(Luciola
cruciata) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 514
GLY A 470
ALA A 469
ASP A 468
VAL A 504
 None
 0.82A 3oxwC-2d1qA:
undetectable		 3oxwC-2d1qA:
13.02
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  53
GLY A  55
VAL A  56
VAL A  87
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.7A)
LP1  A 201 ( 4.9A)
 0.43A 3oxwC-2fmbA:
15.6		 3oxwC-2fmbA:
37.38
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) 		5 LEU A  23
ASP A  25
GLY A  27
ALA A  28
GLY A  54
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
 0.72A 3oxwC-2fmbA:
15.6		 3oxwC-2fmbA:
37.38
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.
2i82 RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE A

(Escherichia
coli) 		PF00849
(PseudoU_synth_2) 		5 ALA A 217
ASP A 218
GLY A  69
VAL A  70
VAL A 153
 None
 1.02A 3oxwC-2i82A:
undetectable		 3oxwC-2i82A:
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.
2iss PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Thermotoga
maritima) 		PF01680
(SOR_SNZ) 		5 LEU A 224
GLY A 229
ALA A 230
ASP A 231
VAL A 158
 None
 0.86A 3oxwC-2issA:
undetectable		 3oxwC-2issA:
15.44
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.
2jzn MANNOSE-SPECIFIC
PHOSPHOTRANSFERASE
ENZYME IIA COMPONENT

(Escherichia
coli) 		PF03610
(EIIA-man) 		5 ASP A  35
ILE A  34
GLY A  32
VAL A  31
VAL A  93
 None
 0.95A 3oxwC-2jznA:
undetectable		 3oxwC-2jznA:
21.58
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.
2m1i PARVULIN-LIKE
PEPTIDYL-PROLYL
ISOMERASE

(Cenarchaeum
symbiosum) 		PF13616
(Rotamase_3) 		5 LEU A  16
ASP A  46
GLY A  48
ASP A  53
GLY A  57
 None
 0.94A 3oxwC-2m1iA:
undetectable		 3oxwC-2m1iA:
21.78
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.
2nmb PROTEIN (NUMB
PROTEIN)

(Drosophila
melanogaster) 		PF00640
(PID) 		5 GLY A 192
ALA A 190
ASP A  72
GLY A 184
VAL A  85
 None
 1.01A 3oxwC-2nmbA:
undetectable		 3oxwC-2nmbA:
18.92
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.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		5 GLY A 179
ALA A 180
ASP A 181
ILE A 149
VAL A 120
 None
 1.01A 3oxwC-2qjgA:
undetectable		 3oxwC-2qjgA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		5 LEU A 174
GLY A 179
ALA A 180
ASP A 181
ILE A 149
 None
 0.77A 3oxwC-2qjgA:
undetectable		 3oxwC-2qjgA:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r7a BACTERIAL HEME
BINDING PROTEIN

(Shigella
dysenteriae) 		PF01497
(Peripla_BP_2) 		6 LEU A 109
GLY A  30
ALA A  29
ILE A  76
VAL A  46
VAL A 107
 None
HEM  A 600 (-3.6A)
None
None
None
None
 1.23A 3oxwC-2r7aA:
undetectable		 3oxwC-2r7aA:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		6 LEU A 283
GLY A  63
ALA A  62
GLY A  57
VAL A  56
VAL A 279
 None
 1.13A 3oxwC-2ri6A:
undetectable		 3oxwC-2ri6A:
15.77
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
AB1  A 501 (-3.5A)
 0.33A 3oxwC-2rkfA:
21.0		 3oxwC-2rkfA:
83.84
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 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.21A 3oxwC-2rspA:
13.0		 3oxwC-2rspA:
32.00
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.
2vn8 RETICULON-4-INTERACT
ING PROTEIN 1

(Homo sapiens) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 243
GLY A 248
ALA A 249
ASP A 250
ASP A 251
 None
 0.79A 3oxwC-2vn8A:
undetectable		 3oxwC-2vn8A:
15.31
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.
2xci 3-DEOXY-D-MANNO-2-OC
TULOSONIC ACID
TRANSFERASE

(Aquifex
aeolicus) 		PF04413
(Glycos_transf_N) 		5 GLY A 181
ALA A 180
ILE A 259
GLY A 257
VAL A 256
 None
 0.92A 3oxwC-2xciA:
undetectable		 3oxwC-2xciA:
14.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xtp GTPASE IMAP FAMILY
MEMBER 2

(Homo sapiens) 		PF04548
(AIG1) 		5 LEU A 198
GLY A  39
ALA A  38
GLY A  29
VAL A  28
 None
 0.92A 3oxwC-2xtpA:
undetectable		 3oxwC-2xtpA:
18.95
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.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus) 		PF00067
(p450) 		5 LEU A 284
ASP A 292
ILE A 396
GLY A 398
VAL A 399
 None
 1.02A 3oxwC-2zbzA:
undetectable		 3oxwC-2zbzA:
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.
2zc7 BETA-LACTAMASE ACT-1

(Klebsiella
pneumoniae) 		PF00144
(Beta-lactamase) 		5 LEU A  62
ILE A 155
GLY A  71
VAL A  72
VAL A 223
 None
 0.99A 3oxwC-2zc7A:
undetectable		 3oxwC-2zc7A:
15.58
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.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		5 LEU A  62
ILE A 155
GLY A  71
VAL A  72
VAL A 223
 None
 0.90A 3oxwC-2zj9A:
undetectable		 3oxwC-2zj9A:
14.77
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.
3a21 PUTATIVE SECRETED
ALPHA-GALACTOSIDASE

(Streptomyces
avermitilis) 		PF00652
(Ricin_B_lectin)
PF16499
(Melibiase_2) 		5 LEU A 388
ALA A 395
GLY A 407
VAL A 406
VAL A 383
 None
 1.00A 3oxwC-3a21A:
undetectable		 3oxwC-3a21A:
9.41
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.
3dc7 PUTATIVE
UNCHARACTERIZED
PROTEIN LP_3323

(Lactobacillus
plantarum) 		PF13472
(Lipase_GDSL_2) 		6 GLY A  66
ALA A  71
ASP A  70
ILE A  60
GLY A  28
VAL A  88
 None
 1.35A 3oxwC-3dc7A:
undetectable		 3oxwC-3dc7A:
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.
3gmi UPF0348 PROTEIN
MJ0951

(Methanocaldococcus
jannaschii) 		PF05636
(HIGH_NTase1)
PF16581
(HIGH_NTase1_ass) 		5 LEU A  62
GLY A 111
ALA A 112
ASP A 113
GLY A  73
 None
 0.87A 3oxwC-3gmiA:
undetectable		 3oxwC-3gmiA:
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.
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
 0.98A 3oxwC-3gqjA:
undetectable		 3oxwC-3gqjA:
17.89
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.
3gt7 SENSOR PROTEIN

(Syntrophus
aciditrophicus) 		PF00072
(Response_reg) 		5 GLY A 107
ALA A 108
ASP A 109
ILE A  59
VAL A  63
 None
 0.98A 3oxwC-3gt7A:
undetectable		 3oxwC-3gt7A:
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 976
GLY A 975
ALA A 971
ILE A 811
GLY A 598
 None
 0.82A 3oxwC-3iayA:
undetectable		 3oxwC-3iayA:
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.
3jv7 ADH-A

(Rhodococcus
ruber) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 211
GLY A 216
ALA A 217
ASP A 218
ILE A 200
 None
 0.92A 3oxwC-3jv7A:
undetectable		 3oxwC-3jv7A:
12.43
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.
3jvd TRANSCRIPTIONAL
REGULATORS

(Corynebacterium
glutamicum) 		PF13377
(Peripla_BP_3) 		5 LEU A 235
GLY A 265
GLY A 278
VAL A 275
VAL A 261
 None
 0.86A 3oxwC-3jvdA:
undetectable		 3oxwC-3jvdA:
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.
3jwj HEN1

(Trichormus
variabilis) 		PF08242
(Methyltransf_12) 		5 GLY A 342
ASP A 348
ILE A 285
GLY A 309
VAL A 362
 None
 1.02A 3oxwC-3jwjA:
undetectable		 3oxwC-3jwjA:
21.32
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 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
VAL A  82
 None
 0.87A 3oxwC-3mwsA:
20.1		 3oxwC-3mwsA:
74.75
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
VAL A  82
 None
 0.52A 3oxwC-3mwsA:
20.1		 3oxwC-3mwsA:
74.75
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.
3njb ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 GLY A 145
ALA A 167
ILE A 204
GLY A 170
VAL A 161
 None
 1.00A 3oxwC-3njbA:
undetectable		 3oxwC-3njbA:
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.
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
VAL A  15
 None
 1.01A 3oxwC-3pzrA:
undetectable		 3oxwC-3pzrA:
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 LEU A  30
ASP A  32
GLY A  34
ALA A  35
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
3TL  A 126 (-3.4A)
 0.25A 3oxwC-3slzA:
11.6		 3oxwC-3slzA:
26.72
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.2A)
None
017  A 201 (-4.0A)
 0.40A 3oxwC-3t3cA:
18.7		 3oxwC-3t3cA:
74.75
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
 0.28A 3oxwC-3ttpA:
19.9		 3oxwC-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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
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)
 0.24A 3oxwC-3u7sA:
20.2		 3oxwC-3u7sA:
77.78
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) 		6 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  82
 None
 0.33A 3oxwC-3uhlA:
16.6		 3oxwC-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.
3vti HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 ASP C 213
GLY C 288
GLY C 241
VAL C 242
VAL C 270
 None
 0.99A 3oxwC-3vtiC:
undetectable		 3oxwC-3vtiC:
16.56
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.
4axv MPAA

(Vibrio
campbellii) 		PF04952
(AstE_AspA) 		5 LEU A 174
ALA A 225
ASP A 224
GLY A  57
VAL A 208
 None
 1.01A 3oxwC-4axvA:
undetectable		 3oxwC-4axvA:
16.60
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.
4c2t DNA HELICASE II

(Deinococcus
radiodurans) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 GLY A  35
ALA A  34
ASP A 257
ILE A 304
VAL A 296
 ANP  A1664 (-3.6A)
ANP  A1664 ( 4.4A)
None
None
None
 1.01A 3oxwC-4c2tA:
undetectable		 3oxwC-4c2tA:
10.14
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.
4ce7 UNSATURATED
3S-RHAMNOGLYCURONYL
HYDROLASE

(Nonlabens
ulvanivorans) 		PF07470
(Glyco_hydro_88) 		5 GLY A 355
ALA A 354
GLY A  53
VAL A  54
VAL A 325
 None
 0.99A 3oxwC-4ce7A:
undetectable		 3oxwC-4ce7A:
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.
4dwq TRNA-SPLICING LIGASE
RTCB

(Pyrococcus
horikoshii) 		PF01139
(RtcB) 		5 LEU A 148
GLY A 191
ALA A 192
ILE A 137
GLY A 196
 None
 1.00A 3oxwC-4dwqA:
undetectable		 3oxwC-4dwqA:
12.70
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.
4f4w DNA POLYMERASE IV

(Sulfolobus
acidocaldarius;
Sulfolobus
solfataricus) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 ALA A  96
ASP A  97
ASP A 110
GLY A 122
VAL A   6
 None
 0.81A 3oxwC-4f4wA:
undetectable		 3oxwC-4f4wA:
14.41
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.
4fzw 2,3-DEHYDROADIPYL-CO
A HYDRATASE

(Escherichia
coli) 		PF00378
(ECH_1) 		5 GLY A 101
ALA A 123
ILE A 163
GLY A 126
VAL A 117
 None
 1.02A 3oxwC-4fzwA:
undetectable		 3oxwC-4fzwA:
14.98
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.
4h2l ALPHA-GLOBIN

(Peromyscus
maniculatus) 		PF00042
(Globin) 		5 ASP A  64
GLY A  60
ALA A  63
ILE A  17
GLY A  19
 None
 1.02A 3oxwC-4h2lA:
undetectable		 3oxwC-4h2lA:
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.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		6 GLY A 335
ALA A 337
ASP A 340
ILE A 323
GLY A 325
VAL A 113
 None
 1.42A 3oxwC-4hxyA:
undetectable		 3oxwC-4hxyA:
14.43
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.
4hyk DNA POLYMERASE IV

(Sulfolobus
acidocaldarius) 		PF00817
(IMS)
PF11798
(IMS_HHH) 		5 ALA A  96
ASP A  97
ASP A 110
GLY A 122
VAL A   6
 None
 0.86A 3oxwC-4hykA:
undetectable		 3oxwC-4hykA:
16.52
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.
4i1i MALATE DEHYDROGENASE

(Leishmania
major) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  37
GLY A  16
ALA A  11
ASP A  41
VAL A  67
 None
None
None
NAD  A 400 (-2.8A)
None
 1.01A 3oxwC-4i1iA:
undetectable		 3oxwC-4i1iA:
16.78
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.
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
 0.93A 3oxwC-4krgA:
undetectable		 3oxwC-4krgA:
11.04
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.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		5 LEU A 105
GLY A 128
ALA A 129
ASP A 130
GLY A 179
 GOL  A 503 ( 4.4A)
GOL  A 503 (-3.7A)
None
None
None
 0.95A 3oxwC-4maaA:
undetectable		 3oxwC-4maaA:
13.40
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  48
 RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 (-4.8A)
 0.82A 3oxwC-4njvA:
20.9		 3oxwC-4njvA:
84.85
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-4.8A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
 0.53A 3oxwC-4njvA:
20.9		 3oxwC-4njvA:
84.85
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.
4xib E3 UBIQUITIN-PROTEIN
LIGASE MIB1

(Homo sapiens) 		PF00569
(ZZ)
PF06701
(MIB_HERC2) 		6 LEU A 215
GLY A 154
ALA A 155
ASP A 220
GLY A 223
VAL A 207
 None
 1.45A 3oxwC-4xibA:
undetectable		 3oxwC-4xibA:
13.17
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
GLY A  34
ALA A  35
ASP A  36
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.33A 3oxwC-4ydfA:
13.3		 3oxwC-4ydfA:
33.33
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.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ALA A 567
ASP A 566
ILE A 900
GLY A 793
VAL A 794
 None
 1.01A 3oxwC-4zdnA:
undetectable		 3oxwC-4zdnA:
10.87
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 GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
 0.80A 3oxwC-5b18A:
18.4		 3oxwC-5b18A:
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.
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
 1.01A 3oxwC-5e1bA:
undetectable		 3oxwC-5e1bA:
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.
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
VAL A  27
 None
None
None
SAH  A 301 (-2.7A)
None
 0.95A 3oxwC-5e1bA:
undetectable		 3oxwC-5e1bA:
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.
5fql IDURONATE-2-SULFATAS
E

(Homo sapiens) 		PF00884
(Sulfatase) 		5 LEU A 259
GLY A 520
ALA A 519
ILE A 487
GLY A 489
 None
 0.99A 3oxwC-5fqlA:
undetectable		 3oxwC-5fqlA:
10.86
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.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		5 GLY A 443
ALA A 442
GLY A 431
VAL A 430
VAL A 294
 None
 0.98A 3oxwC-5h6sA:
undetectable		 3oxwC-5h6sA:
10.60
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.
5hs0 ANKYRIN DOMAIN
PROTEIN ANK1C4_7

(synthetic
construct) 		PF12796
(Ank_2) 		5 LEU A 121
GLY A 126
ALA A 127
ASP A 128
VAL A  86
 None
 0.89A 3oxwC-5hs0A:
undetectable		 3oxwC-5hs0A:
18.79
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.
5ikl GERANYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 LEU B 212
GLY B 232
ASP B 228
GLY B 185
VAL B 183
 None
 0.98A 3oxwC-5iklB:
undetectable		 3oxwC-5iklB:
11.87
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.
5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC

(Arabidopsis
thaliana) 		no annotation 5 LEU A  39
GLY A  18
ALA A  13
ASP A  43
VAL A  69
 None
None
None
NAD  A 401 (-2.8A)
None
 1.01A 3oxwC-5nueA:
undetectable		 3oxwC-5nueA:
24.27
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.
5o6v ENVELOPE PROTEIN

(Tick-borne
encephalitis
virus) 		no annotation 5 GLY A 417
ALA A 420
ASP A 422
GLY A 191
VAL A 192
 None
 0.75A 3oxwC-5o6vA:
undetectable		 3oxwC-5o6vA:
24.49
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASP A  30
ILE A  47
GLY A  49
 None
 0.19A 3oxwC-5t2zA:
20.0		 3oxwC-5t2zA:
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.
5t6o POLY-BETA-HYDROXYBUT
ERATE POLYMERASE

(Cupriavidus
necator) 		PF07167
(PhaC_N) 		5 LEU A 274
GLY A 582
ALA A 580
VAL A 209
VAL A 262
 None
 0.99A 3oxwC-5t6oA:
undetectable		 3oxwC-5t6oA:
13.55
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C) 		6 LEU A1459
ALA A1502
ASP A1499
GLY A1539
VAL A1541
VAL A1531
 None
 1.40A 3oxwC-5t8vA:
undetectable		 3oxwC-5t8vA:
6.31
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.
5weg UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Saccharum
hybrid cultivar) 		no annotation 5 LEU A  90
GLY A 200
ALA A 343
ILE A 347
VAL A 223
 None
SO4  A 506 ( 4.9A)
SO4  A 506 (-4.0A)
None
None
 0.94A 3oxwC-5wegA:
undetectable		 3oxwC-5wegA:
18.00
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.
5weg UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Saccharum
hybrid cultivar) 		no annotation 5 LEU A  90
GLY A 200
ALA A 343
VAL A 315
VAL A 223
 None
SO4  A 506 ( 4.9A)
SO4  A 506 (-4.0A)
None
None
 0.99A 3oxwC-5wegA:
undetectable		 3oxwC-5wegA:
18.00
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.
5xuk HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE

(Helicobacter
pylori) 		no annotation 6 LEU A  97
GLY A   3
ALA A  52
ASP A   5
GLY A  60
VAL A  59
 None
 1.36A 3oxwC-5xukA:
undetectable		 3oxwC-5xukA:
17.00
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.
5y35 -

(-) 		no annotation 5 GLY B  49
ALA B  48
GLY B  42
VAL B  70
VAL B 217
 None
 1.02A 3oxwC-5y35B:
undetectable		 3oxwC-5y35B:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z67 DNA REPLICATION AND
REPAIR PROTEIN RECF

(Caldanaerobacter
subterraneus) 		no annotation 5 LEU A 238
ALA A 191
GLY A 263
VAL A 262
VAL A 230
 None
 1.03A 3oxwC-5z67A:
undetectable		 3oxwC-5z67A:
19.59
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) 		6 LEU A  28
ASP A  30
ALA A  33
ASP A  34
GLY A  58
VAL A  59
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.3A)
 1.30A 3oxwC-6fivA:
15.7		 3oxwC-6fivA:
30.70
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) 		8 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
VAL A  59
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.3A)
None
 0.55A 3oxwC-6fivA:
15.7		 3oxwC-6fivA:
30.70
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
GLY A  27
ALA A  28
ASP A  29
ASP A  30
GLY A  49
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
 0.68A 3oxwC-6upjA:
18.3		 3oxwC-6upjA:
48.48