SIMILAR PATTERNS OF AMINO ACIDS FOR 3OXX_A_DR7A100

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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 LEU B 449
ALA B 413
GLY B 499
VAL B 498
ILE B 445
 None
 0.97A 3oxxA-1a6dB:
undetectable		 3oxxA-1a6dB:
12.84
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.
1czi CHYMOSIN

(Bos taurus) 		PF00026
(Asp) 		5 ASP E 215
GLY E 217
VAL E 222
GLY E  76
ILE E 300
 None
 0.69A 3oxxA-1cziE:
6.7		 3oxxA-1cziE:
17.42
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.
1fob BETA-1,4-GALACTANASE

(Aspergillus
aculeatus) 		PF07745
(Glyco_hydro_53) 		5 GLY A  40
ALA A  39
ASP A  38
PRO A 299
ILE A 328
 None
 0.88A 3oxxA-1fobA:
undetectable		 3oxxA-1fobA:
14.11
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 ALA A  28
ASP A  29
VAL A  32
GLY A  48
ILE A  84
 A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.4A)
A79  A 800 (-3.6A)
A79  A 800 (-3.6A)
 0.76A 3oxxA-1hvcA:
14.2		 3oxxA-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.9A)
 1.36A 3oxxA-1hvcA:
14.2		 3oxxA-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 ARG A   8
LEU A  23
ASP A  25
ASP A  30
GLY A  49
PRO A  81
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 1.31A 3oxxA-1hvcA:
14.2		 3oxxA-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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
ILE A  84
 A79  A 800 (-3.4A)
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 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.6A)
 0.38A 3oxxA-1hvcA:
14.2		 3oxxA-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) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 A79  A 800 (-3.6A)
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 ( 4.3A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.8A)
 0.35A 3oxxA-1hvcA:
14.2		 3oxxA-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) 		10 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
PRO A  81
ILE A  84
 A79  A 800 (-3.4A)
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 ( 4.4A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.9A)
A79  A 800 (-3.6A)
 0.56A 3oxxA-1hvcA:
14.2		 3oxxA-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.
1naa CELLOBIOSE
DEHYDROGENASE

(Phanerochaete
chrysosporium) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 223
ALA A 224
VAL A 407
GLY A 305
ILE A 229
 6FA  A 801 (-3.0A)
6FA  A 801 ( 4.9A)
None
6FA  A 801 (-3.5A)
None
 1.01A 3oxxA-1naaA:
undetectable		 3oxxA-1naaA:
10.71
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.
1nfg D-HYDANTOINASE

(Ralstonia
pickettii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 ALA A  19
VAL A  49
ILE A   5
GLY A  22
ILE A  10
 None
 0.93A 3oxxA-1nfgA:
undetectable		 3oxxA-1nfgA:
11.06
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) 		6 ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  84
 None
 0.51A 3oxxA-1q9pA:
10.6		 3oxxA-1q9pA:
89.47
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 ARG A   8
LEU A  23
GLY A  27
GLY A  49
PRO A  81
ILE A  84
 None
 0.62A 3oxxA-1sivA:
18.6		 3oxxA-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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 0.40A 3oxxA-1sivA:
18.6		 3oxxA-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.
1yg0 COP ASSOCIATED
PROTEIN

(Helicobacter
pylori) 		PF00403
(HMA) 		5 GLY A  62
ALA A  61
ASP A  60
VAL A  23
ILE A  19
 None
 0.96A 3oxxA-1yg0A:
undetectable		 3oxxA-1yg0A:
20.41
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.
1zo1 TRANSLATION
INITIATION FACTOR 1

(Escherichia
coli) 		PF01176
(eIF-1a) 		5 LEU W  26
GLY W  65
ALA W  34
VAL W  13
ILE W  47
 None
 0.92A 3oxxA-1zo1W:
undetectable		 3oxxA-1zo1W:
22.00
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.
2a2f EXOCYST COMPLEX
COMPONENT SEC15

(Drosophila
melanogaster) 		PF04091
(Sec15) 		5 LEU X 239
ALA X 185
ASP X 184
GLY X 190
ILE X 242
 None
 1.00A 3oxxA-2a2fX:
undetectable		 3oxxA-2a2fX:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ayy SENSOR KINASE
PROTEIN RCSC

(Escherichia
coli) 		PF09456
(RcsC) 		5 GLY A 779
ALA A 761
ILE A 748
VAL A 782
ILE A 798
 None
 1.03A 3oxxA-2ayyA:
undetectable		 3oxxA-2ayyA:
21.49
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		5 ARG A  85
GLY A 237
ALA A 236
VAL A  90
ILE A  25
 None
 1.05A 3oxxA-2b4qA:
undetectable		 3oxxA-2b4qA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f1k PREPHENATE
DEHYDROGENASE

(Synechocystis
sp. PCC 6803) 		PF02153
(PDH) 		5 GLY A  12
ALA A  13
GLY A  28
VAL A  29
ILE A 122
 None
 0.90A 3oxxA-2f1kA:
undetectable		 3oxxA-2f1kA:
14.71
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) 		12 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  53
GLY A  55
VAL A  56
PRO A  86
ILE A  89
 LP1  A 201 (-3.5A)
None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
None
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.7A)
LP1  A 201 (-3.9A)
LP1  A 201 (-4.2A)
 0.46A 3oxxA-2fmbA:
15.1		 3oxxA-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.
2gzl 2-C-METHYL-D-ERYTHRI
TOL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF02542
(YgbB) 		5 GLY A  37
ASP A   8
GLY A 145
PRO A 103
ILE A  20
 None
ZN  A 900 ( 2.4A)
None
None
None
 1.04A 3oxxA-2gzlA:
undetectable		 3oxxA-2gzlA:
19.75
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.
2h6e D-ARABINOSE
1-DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  39
ALA A  38
ILE A  62
GLY A 115
ILE A  35
 None
 0.97A 3oxxA-2h6eA:
undetectable		 3oxxA-2h6eA:
15.85
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.
2n8n TRANSLATION
INITIATION FACTOR
IF-1

(Staphylococcus
aureus) 		PF01176
(eIF-1a) 		5 LEU A  26
GLY A  65
ALA A  34
VAL A  13
ILE A  47
 None
 1.03A 3oxxA-2n8nA:
undetectable		 3oxxA-2n8nA:
25.74
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.
2ph3 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 LEU A  28
GLY A  14
ALA A   9
VAL A  56
ILE A  30
 None
 0.90A 3oxxA-2ph3A:
undetectable		 3oxxA-2ph3A:
18.70
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.
2pl1 TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOP

(Escherichia
coli) 		PF00072
(Response_reg) 		5 LEU A  60
GLY A  94
ALA A  95
ASP A  96
VAL A  50
 None
 1.06A 3oxxA-2pl1A:
undetectable		 3oxxA-2pl1A:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0l THIOREDOXIN
REDUCTASE

(Helicobacter
pylori) 		PF07992
(Pyr_redox_2) 		5 ALA A   5
VAL A  84
ILE A 108
GLY A   8
ILE A  93
 None
None
None
FAD  A 400 (-3.2A)
None
 0.80A 3oxxA-2q0lA:
undetectable		 3oxxA-2q0lA:
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.
2qdl CHEMOTAXIS SIGNAL
TRANSDUCTION PROTEIN

(Caldanaerobacter
subterraneus) 		PF01584
(CheW) 		5 LEU A 144
GLY A  94
ALA A  93
VAL A  31
ILE A  88
 None
 0.82A 3oxxA-2qdlA:
undetectable		 3oxxA-2qdlA:
21.79
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.
2qma DIAMINOBUTYRATE-PYRU
VATE TRANSAMINASE
AND
L-2,4-DIAMINOBUTYRAT
E DECARBOXYLASE

(Vibrio
parahaemolyticus) 		PF00282
(Pyridoxal_deC) 		5 GLY A 728
ALA A 727
ASP A 755
VAL A 774
ILE A 780
 None
 0.87A 3oxxA-2qmaA:
undetectable		 3oxxA-2qmaA:
11.97
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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.32A 3oxxA-2rkfA:
20.7		 3oxxA-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) 		6 ARG A  10
LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
 None
 0.85A 3oxxA-2rspA:
12.9		 3oxxA-2rspA:
32.00
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) 		6 ARG A 105
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 1.45A 3oxxA-2rspA:
12.9		 3oxxA-2rspA:
32.00
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) 		6 LEU A  35
ASP A  37
GLY A  39
ALA A  40
ASP A  41
ILE A 108
 None
 0.37A 3oxxA-2rspA:
12.9		 3oxxA-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.
2yb6 UBIQUITIN-CONJUGATIN
G ENZYME E2 B

(Homo sapiens) 		PF00179
(UQ_con) 		5 GLY A  26
ALA A  38
VAL A  70
ILE A 109
ILE A  57
 None
 0.81A 3oxxA-2yb6A:
undetectable		 3oxxA-2yb6A:
18.01
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.
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
 1.04A 3oxxA-2zbzA:
undetectable		 3oxxA-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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		5 GLY A 502
ASP A   3
VAL A 546
GLY A 521
ILE A 517
 None
 1.02A 3oxxA-3bmwA:
undetectable		 3oxxA-3bmwA:
9.43
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.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		5 ALA A  97
ASP A  96
GLY A  92
PRO A 254
ILE A  30
 None
 0.99A 3oxxA-3d43A:
undetectable		 3oxxA-3d43A:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		5 GLY A  95
ALA A  96
VAL A 106
ILE A 111
ILE A 100
 None
 1.04A 3oxxA-3d79A:
undetectable		 3oxxA-3d79A:
19.75
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.
3d79 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0734

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF09183
(DUF1947) 		5 LEU A 101
GLY A  95
ALA A  96
ILE A 111
ILE A 100
 None
 1.04A 3oxxA-3d79A:
undetectable		 3oxxA-3d79A:
19.75
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		5 GLY A 359
ALA A 360
ASP A 361
PRO A  24
ILE A 356
 None
 0.88A 3oxxA-3dbgA:
undetectable		 3oxxA-3dbgA:
10.92
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.
3ecd SERINE
HYDROXYMETHYLTRANSFE
RASE 2

(Burkholderia
pseudomallei) 		PF00464
(SHMT) 		5 LEU A 295
GLY A 216
ALA A 215
PRO A 370
ILE A 291
 None
 0.98A 3oxxA-3ecdA:
undetectable		 3oxxA-3ecdA:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eh0 UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF04613
(LpxD)
PF14602
(Hexapep_2) 		5 LEU A 154
GLY A 139
ALA A 122
ILE A 106
ILE A 136
 None
 1.00A 3oxxA-3eh0A:
undetectable		 3oxxA-3eh0A:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 GLY A 284
ALA A  17
ILE A  66
GLY A  22
ILE A   7
 None
 0.81A 3oxxA-3fbsA:
undetectable		 3oxxA-3fbsA:
14.48
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 LEU A 256
GLY A 218
ILE A 116
GLY A 120
ILE A 190
 None
 0.81A 3oxxA-3gh8A:
undetectable		 3oxxA-3gh8A:
20.00
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.
3goc ENDONUCLEASE V

(Streptomyces
avermitilis) 		PF04493
(Endonuclease_5) 		5 GLY A 117
VAL A  45
ILE A 111
GLY A 131
VAL A 132
 None
 1.07A 3oxxA-3gocA:
undetectable		 3oxxA-3gocA:
20.30
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.
3i4o TRANSLATION
INITIATION FACTOR
IF-1

(Mycobacterium
tuberculosis) 		PF01176
(eIF-1a) 		5 GLY A  66
ALA A  35
VAL A  14
ILE A  48
ILE A  25
 None
 0.95A 3oxxA-3i4oA:
undetectable		 3oxxA-3i4oA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4o TRANSLATION
INITIATION FACTOR
IF-1

(Mycobacterium
tuberculosis) 		PF01176
(eIF-1a) 		5 LEU A  27
GLY A  66
ALA A  35
VAL A  14
ILE A  25
 None
 0.94A 3oxxA-3i4oA:
undetectable		 3oxxA-3i4oA:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j7a 40S RIBOSOMAL
PROTEIN ES6

(Plasmodium
falciparum) 		PF01092
(Ribosomal_S6e) 		5 LEU H 111
GLY H  55
ILE H 101
GLY H 103
ILE H  52
 None
G  A 160 ( 3.9A)
None
None
None
 0.75A 3oxxA-3j7aH:
undetectable		 3oxxA-3j7aH:
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.
3l7g XAA-PRO DIPEPTIDASE

(Alteromonas sp.) 		PF00557
(Peptidase_M24) 		5 LEU A 391
GLY A 415
ALA A 223
GLY A 383
ILE A 387
 None
 1.01A 3oxxA-3l7gA:
undetectable		 3oxxA-3l7gA:
10.83
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.
3lxd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE

(Novosphingobium
aromaticivorans) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 LEU A 301
ALA A 294
ASP A 295
GLY A 348
ILE A 299
 None
 0.94A 3oxxA-3lxdA:
undetectable		 3oxxA-3lxdA:
13.11
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.
3mq0 TRANSCRIPTIONAL
REPRESSOR OF THE
BLCABC OPERON

(Agrobacterium
tumefaciens) 		PF01614
(IclR)
PF09339
(HTH_IclR) 		5 LEU A 240
GLY A 254
VAL A 121
PRO A 118
ILE A 238
 None
 0.92A 3oxxA-3mq0A:
undetectable		 3oxxA-3mq0A:
17.98
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.
3mt0 UNCHARACTERIZED
PROTEIN PA1789

(Pseudomonas
aeruginosa) 		PF00582
(Usp) 		5 LEU A  89
ALA A  24
GLY A  29
VAL A  30
ILE A   7
 None
 0.85A 3oxxA-3mt0A:
undetectable		 3oxxA-3mt0A:
17.54
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.28A 3oxxA-3mwsA:
19.7		 3oxxA-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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		5 ARG A 960
ASP A1204
GLY A1185
GLY A 966
ILE A1126
 None
 1.06A 3oxxA-3pieA:
undetectable		 3oxxA-3pieA:
5.54
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.
3r18 SULFITE OXIDASE

(Gallus gallus) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ARG A 189
ASP A 321
VAL A 295
GLY A 324
PRO A 346
 None
 0.98A 3oxxA-3r18A:
undetectable		 3oxxA-3r18A:
10.02
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT M

(Escherichia
coli) 		no annotation 5 LEU M   6
VAL M 127
GLY M  98
VAL M  99
ILE M 128
 None
 0.92A 3oxxA-3rkoM:
undetectable		 3oxxA-3rkoM:
10.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		5 ASP A  32
GLY A  34
ALA A  35
VAL A  39
PRO A  89
 3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-4.0A)
 0.61A 3oxxA-3slzA:
11.2		 3oxxA-3slzA:
26.72
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.
3slz GAG-PRO-POL
POLYPROTEIN

(Murine leukemia
virus) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
VAL A  39
GLY A  56
 None
3TL  A 126 (-2.4A)
3TL  A 126 (-3.1A)
3TL  A 126 ( 4.0A)
None
3TL  A 126 (-3.4A)
 0.52A 3oxxA-3slzA:
11.2		 3oxxA-3slzA:
26.72
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.
3t2y SULFIDE-QUINONE
REDUCTASE, PUTATIVE

(Acidithiobacillus
ferrooxidans) 		PF07992
(Pyr_redox_2) 		5 LEU A   7
GLY A 106
ALA A 303
GLY A 281
ILE A 103
 FAD  A 500 (-4.7A)
FAD  A 500 (-3.1A)
None
None
None
 0.75A 3oxxA-3t2yA:
undetectable		 3oxxA-3t2yA:
14.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
None
017  A 201 (-4.0A)
None
 0.61A 3oxxA-3t3cA:
18.1		 3oxxA-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) 		9 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.43A 3oxxA-3ttpA:
19.4		 3oxxA-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) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
 1.44A 3oxxA-3u7sA:
19.8		 3oxxA-3u7sA:
77.78
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
GLY A  27
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.43A 3oxxA-3u7sA:
19.8		 3oxxA-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 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
 None
 0.58A 3oxxA-3uhlA:
15.9		 3oxxA-3uhlA:
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
PRO A  81
 None
 0.39A 3oxxA-3uhlA:
15.9		 3oxxA-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.
3w1j L-SERYL-TRNA(SEC)
SELENIUM TRANSFERASE

(Aquifex
aeolicus) 		PF03841
(SelA) 		5 LEU A 211
GLY A 202
ALA A 203
GLY A 190
ILE A 160
 None
 0.93A 3oxxA-3w1jA:
undetectable		 3oxxA-3w1jA:
14.14
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.
3wq8 BETA-GLUCOSIDASE

(Pyrococcus
furiosus) 		PF00232
(Glyco_hydro_1) 		5 GLY A 297
VAL A 290
ILE A 302
GLY A 260
VAL A 259
 None
 0.96A 3oxxA-3wq8A:
undetectable		 3oxxA-3wq8A:
12.89
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.
3wqo UNCHARACTERIZED
PROTEIN MJ1311

(Methanocaldococcus
jannaschii) 		PF01261
(AP_endonuc_2) 		5 LEU A 187
ALA A 149
VAL A 116
VAL A  98
ILE A 156
 None
 0.93A 3oxxA-3wqoA:
undetectable		 3oxxA-3wqoA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cnt DIHYDROPYRIMIDINASE-
LIKE 3

(Homo sapiens) 		PF01979
(Amidohydro_1) 		5 LEU A 444
GLY A  62
ILE A  35
VAL A  25
ILE A 411
 None
 1.07A 3oxxA-4cntA:
undetectable		 3oxxA-4cntA:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fek PUTATIVE DIFLAVIN
FLAVOPROTEIN A 5

(Nostoc sp. PCC
7120) 		no annotation 5 ALA A  54
ASP A  81
VAL A 109
VAL A 145
ILE A  84
 None
 1.05A 3oxxA-4fekA:
undetectable		 3oxxA-4fekA:
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.
4lrs ACETALDEHYDE
DEHYDROGENASE

(Thermomonospora
curvata) 		PF01118
(Semialdhyde_dh)
PF09290
(AcetDehyd-dimer) 		5 GLY B 206
VAL B 225
GLY B 201
VAL B 200
ILE B 169
 None
 0.92A 3oxxA-4lrsB:
undetectable		 3oxxA-4lrsB:
15.15
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) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 RIT  A 500 (-3.2A)
None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
None
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.36A 3oxxA-4njvA:
20.5		 3oxxA-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.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 GLY A6226
ALA A6277
VAL A6457
VAL A6297
ILE A6454
 None
 0.80A 3oxxA-4opfA:
undetectable		 3oxxA-4opfA:
13.81
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.
4q00 FERROUS IRON
TRANSPORT PROTEIN B

(Escherichia
coli) 		PF02421
(FeoB_N) 		5 LEU A 111
GLY A  84
ASP A  87
GLY A   7
ILE A 113
 None
 1.00A 3oxxA-4q00A:
undetectable		 3oxxA-4q00A:
14.80
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.
4r37 PUTATIVE
ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Bacteroides
fragilis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 LEU A 110
ALA A  60
ILE A  44
GLY A  63
ILE A  86
 None
 1.01A 3oxxA-4r37A:
undetectable		 3oxxA-4r37A:
21.55
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.
4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 LEU A 145
GLY A 204
ALA A 203
ASP A 202
GLY A 191
 None
 1.05A 3oxxA-4re2A:
undetectable		 3oxxA-4re2A:
10.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgb CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 ALA A 102
ASP A 101
VAL A  48
ILE A 110
GLY A 108
 None
 0.98A 3oxxA-4rgbA:
undetectable		 3oxxA-4rgbA:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqk LECTIN 2

(Agrocybe
aegerita) 		PF13517
(VCBS) 		5 ASP A 345
GLY A 350
ASP A 290
VAL A 343
GLY A 371
 None
 0.86A 3oxxA-4tqkA:
undetectable		 3oxxA-4tqkA:
14.25
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.
4wer DIACYLGLYCEROL
KINASE CATALYTIC
DOMAIN PROTEIN

(Enterococcus
faecalis) 		PF00781
(DAGK_cat) 		5 LEU A 279
GLY A 276
ASP A 130
VAL A 135
ILE A 281
 None
 1.03A 3oxxA-4werA:
undetectable		 3oxxA-4werA:
17.03
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.
4xgj UNCHARACTERIZED
PROTEIN

(Pectobacterium
atrosepticum) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 LEU A 224
GLY A 229
VAL A  13
GLY A  27
ILE A  88
 None
 1.05A 3oxxA-4xgjA:
undetectable		 3oxxA-4xgjA:
10.50
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) 		8 ARG A  10
LEU A  30
ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 None
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)
4B1  A 201 (-4.8A)
 0.52A 3oxxA-4ydfA:
13.0		 3oxxA-4ydfA:
33.33
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) 		8 ARG A  10
LEU A  30
ASP A  32
GLY A  34
ALA A  35
ASP A  36
VAL A  39
ILE A 100
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
None
4B1  A 201 (-4.8A)
 0.48A 3oxxA-4ydfA:
13.0		 3oxxA-4ydfA:
33.33
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 ALA A  28
ASP A  29
GLY A  49
VAL A  50
ILE A  84
 None
 0.91A 3oxxA-5b18A:
18.0		 3oxxA-5b18A:
76.77
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) 		6 ARG A   8
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  84
 None
 0.84A 3oxxA-5b18A:
18.0		 3oxxA-5b18A:
76.77
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) 		6 ARG A   8
GLY A  27
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
 0.44A 3oxxA-5b18A:
18.0		 3oxxA-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.
5e84 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		5 LEU A  35
ASP A 391
VAL A 394
GLY A 226
PRO A 173
 None
None
None
ATP  A 801 (-3.3A)
ZN  A 806 ( 4.6A)
 0.88A 3oxxA-5e84A:
undetectable		 3oxxA-5e84A:
11.71
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 GLY A 376
ALA A 377
ASP A 347
ILE A 241
ILE A 379
 None
 1.06A 3oxxA-5habA:
undetectable		 3oxxA-5habA:
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 5 LEU A 797
VAL A 789
GLY A 771
VAL A 768
ILE A 793
 None
 0.98A 3oxxA-5hdtA:
undetectable		 3oxxA-5hdtA:
6.35
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 LEU B 246
GLY B 436
ALA B 437
ILE B 444
ILE B  27
 None
 0.89A 3oxxA-5n28B:
undetectable		 3oxxA-5n28B:
13.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
 None
 1.47A 3oxxA-5t2zA:
19.9		 3oxxA-5t2zA:
77.78
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) 		11 ARG A   8
LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
VAL A  32
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.36A 3oxxA-5t2zA:
19.9		 3oxxA-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.
5tky PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		5 LEU A  14
ASP A 370
VAL A 373
GLY A 205
PRO A 150
 None
None
None
ATP  A 700 (-3.5A)
None
 0.86A 3oxxA-5tkyA:
undetectable		 3oxxA-5tkyA:
12.21
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.
5xex POLYRIBONUCLEOTIDE
NUCLEOTIDYLTRANSFERA
SE

(Staphylococcus
aureus) 		no annotation 5 GLY A 192
ALA A 193
GLY A 155
VAL A 154
ILE A 196
 None
 0.91A 3oxxA-5xexA:
undetectable		 3oxxA-5xexA:
10.52
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.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 5 LEU A  35
ASP A 391
VAL A 394
GLY A 226
PRO A 173
 None
ADP  A 603 (-3.6A)
None
SO4  A 602 ( 3.4A)
SO4  A 602 ( 4.3A)
 0.89A 3oxxA-6eoeA:
undetectable		 3oxxA-6eoeA:
12.48
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.
6fah CAFFEYL-COA
REDUCTASE-ETF
COMPLEX SUBUNIT CARD

(Acetobacterium
woodii) 		no annotation 5 GLY B  78
ALA B  79
ASP B  80
VAL B   5
VAL B  47
 None
 1.06A 3oxxA-6fahB:
undetectable		 3oxxA-6fahB:
22.45
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 ARG A  13
LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
GLY A  58
VAL A  59
 None
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)
 0.30A 3oxxA-6fivA:
15.4		 3oxxA-6fivA:
30.70
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.
6g5s -

(-) 		no annotation 5 GLY A 252
ALA A 217
VAL A 207
GLY A 224
VAL A 225
 None
 0.94A 3oxxA-6g5sA:
undetectable		 3oxxA-6g5sA:
undetectable
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) 		5 ARG A   8
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 None
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
 0.98A 3oxxA-6upjA:
18.0		 3oxxA-6upjA:
48.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.70A 3oxxA-6upjA:
18.0		 3oxxA-6upjA:
48.48
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
 0.57A 3oxxA-6upjA:
18.0		 3oxxA-6upjA:
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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 LEU B 449
ALA B 413
GLY B 499
VAL B 498
ILE B 445
 None
 1.12A 3oxxB-1a6dB:
undetectable		 3oxxB-1a6dB:
12.84
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.
1bl5 ISOCITRATE
DEHYDROGENASE

(Escherichia
coli) 		PF00180
(Iso_dh) 		5 LEU A 290
ALA A 312
ASP A 311
GLY A 319
PRO A 144
 None
None
MG  A 418 ( 3.9A)
None
None
 1.24A 3oxxB-1bl5A:
0.0		 3oxxB-1bl5A:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cnz PROTEIN
(3-ISOPROPYLMALATE
DEHYDROGENASE)

(Salmonella
enterica) 		PF00180
(Iso_dh) 		5 ALA A 287
ASP A 289
PRO A 298
VAL A  19
ILE A  15
 None
 1.17A 3oxxB-1cnzA:
undetectable		 3oxxB-1cnzA:
14.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gzg DELTA-AMINOLEVULINIC
ACID DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00490
(ALAD) 		5 ASP A 249
ASP A 179
ILE A 154
VAL A 199
ILE A 182
 MG  A1338 ( 3.8A)
None
None
None
None
 1.08A 3oxxB-1gzgA:
undetectable		 3oxxB-1gzgA:
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.
1hqk 6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE

(Aquifex
aeolicus) 		PF00885
(DMRL_synthase) 		5 LEU A  50
ALA A  34
GLY A 114
VAL A 115
ILE A  17
 None
 1.29A 3oxxB-1hqkA:
undetectable		 3oxxB-1hqkA:
24.00
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
ILE A  47
GLY A  49
PRO A  81
VAL A  82
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 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.37A 3oxxB-1hvcA:
14.3		 3oxxB-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
VAL A  82
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 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.7A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.37A 3oxxB-1hvcA:
14.3		 3oxxB-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
PRO A  81
VAL A  82
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 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.50A 3oxxB-1hvcA:
14.3		 3oxxB-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
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 ( 4.9A)
A79  A 800 ( 3.7A)
 1.49A 3oxxB-1hvcA:
14.3		 3oxxB-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
PRO A  81
 A79  A 800 (-3.4A)
A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 4.9A)
A79  A 800 ( 3.9A)
 1.35A 3oxxB-1hvcA:
14.3		 3oxxB-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.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ILE A  80
GLY A  83
VAL A  84
PRO A 124
VAL A 127
 None
NAP  A 900 (-3.9A)
None
None
None
 1.23A 3oxxB-1hygA:
0.0		 3oxxB-1hygA:
14.70
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.
1ion PROBABLE CELL
DIVISION INHIBITOR
MIND

(Pyrococcus
horikoshii) 		PF13614
(AAA_31) 		5 ALA A 137
VAL A 233
PRO A 192
VAL A 191
ILE A 165
 None
 1.31A 3oxxB-1ionA:
undetectable		 3oxxB-1ionA:
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.
1khd ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Pectobacterium
carotovorum) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 LEU A 249
ALA A 202
ASP A  88
GLY A 205
VAL A 206
 None
 1.24A 3oxxB-1khdA:
0.0		 3oxxB-1khdA:
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.
1lth L-LACTATE
DEHYDROGENASE (T-
AND R- STATE
TETRAMER COMPLEX)

(Bifidobacterium
longum) 		no annotation 5 ARG T 284
LEU T 252
ALA T  26
VAL T  36
ILE T 248
 None
 1.30A 3oxxB-1lthT:
0.0		 3oxxB-1lthT:
15.99
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.
1mq0 CYTIDINE DEAMINASE

(Homo sapiens) 		PF00383
(dCMP_cyt_deam_1) 		5 ARG A 103
GLY A  39
VAL A  38
VAL A 115
ILE A  85
 None
None
BRD  A 148 (-4.2A)
None
None
 0.78A 3oxxB-1mq0A:
undetectable		 3oxxB-1mq0A:
21.90
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.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		5 LEU A  40
ALA A  24
ASP A  23
ILE A 136
ILE A   6
 None
 1.33A 3oxxB-1nxzA:
undetectable		 3oxxB-1nxzA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		5 ALA K 208
ASP K 209
GLY K 223
VAL K 222
ILE K 204
 None
 1.10A 3oxxB-1oxxK:
undetectable		 3oxxB-1oxxK:
15.14
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.
1p31 UDP-N-ACETYLMURAMATE
--ALANINE LIGASE

(Haemophilus
influenzae) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 111
ILE A  26
GLY A  28
VAL A 150
ILE A  34
 None
None
EPU  A 598 (-3.2A)
None
None
 1.20A 3oxxB-1p31A:
undetectable		 3oxxB-1p31A:
13.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qvz YDR533C PROTEIN

(Saccharomyces
cerevisiae) 		PF01965
(DJ-1_PfpI) 		5 ALA A  96
ASP A  98
VAL A  48
VAL A 134
ILE A 127
 None
 1.23A 3oxxB-1qvzA:
undetectable		 3oxxB-1qvzA:
17.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 0.46A 3oxxB-1sivA:
18.9		 3oxxB-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.
1t0a 2C-METHYL-D-ERYTHRIT
OL
2,4-CYCLODIPHOSPHATE
SYNTHASE

(Shewanella
oneidensis) 		PF02542
(YgbB) 		5 ARG A  76
LEU A  43
ASP A  97
VAL A 126
ILE A  46
 None
 1.12A 3oxxB-1t0aA:
undetectable		 3oxxB-1t0aA:
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.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 LEU A 215
ALA A 230
ASP A 229
VAL A 213
ILE A 225
 None
 1.16A 3oxxB-1tcsA:
undetectable		 3oxxB-1tcsA:
16.87
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.
1vjv UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 6

(Saccharomyces
cerevisiae) 		PF00443
(UCH) 		5 ARG A 316
LEU A 490
ALA A 122
ILE A 452
ILE A 436
 None
 1.26A 3oxxB-1vjvA:
undetectable		 3oxxB-1vjvA:
12.97
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.
1wx0 TRANSALDOLASE

(Thermus
thermophilus) 		PF00923
(TAL_FSA) 		5 ARG A 154
LEU A 186
ALA A 171
GLY A 140
VAL A 142
 None
 1.27A 3oxxB-1wx0A:
undetectable		 3oxxB-1wx0A:
21.46
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.
1yr2 PROLYL
OLIGOPEPTIDASE

(Novosphingobium
capsulatum) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 538
ASP A 537
GLY A 529
PRO A 475
VAL A 474
 None
 1.08A 3oxxB-1yr2A:
undetectable		 3oxxB-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.
2a2f EXOCYST COMPLEX
COMPONENT SEC15

(Drosophila
melanogaster) 		PF04091
(Sec15) 		5 LEU X 239
ALA X 185
ASP X 184
GLY X 190
ILE X 242
 None
 0.99A 3oxxB-2a2fX:
undetectable		 3oxxB-2a2fX:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aeu HYPOTHETICAL PROTEIN
MJ0158

(Methanocaldococcus
jannaschii) 		PF03841
(SelA) 		5 LEU A 244
ASP A 207
VAL A 203
VAL A  63
ILE A 247
 None
SO4  A1001 (-4.0A)
None
None
None
 0.81A 3oxxB-2aeuA:
undetectable		 3oxxB-2aeuA:
12.27
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ALA A 496
ASP A 495
GLY A 487
PRO A 431
VAL A 430
 None
 1.11A 3oxxB-2bklA:
undetectable		 3oxxB-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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.93A 3oxxB-2cunA:
undetectable		 3oxxB-2cunA:
13.09
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) 		11 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  53
GLY A  55
VAL A  56
PRO A  86
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 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.4A)
LP1  A 201 ( 4.7A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.51A 3oxxB-2fmbA:
15.4		 3oxxB-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.
2fr5 CYTIDINE DEAMINASE

(Mus musculus) 		PF00383
(dCMP_cyt_deam_1) 		5 ARG A 103
GLY A  39
VAL A  38
VAL A 115
ILE A  85
 None
None
TYU  A1001 (-4.1A)
None
None
 0.75A 3oxxB-2fr5A:
undetectable		 3oxxB-2fr5A:
19.31
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.
2g0f THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBE

(Escherichia
coli) 		PF08534
(Redoxin) 		5 GLY A 139
VAL A 140
PRO A  46
VAL A  45
ILE A 155
 None
 1.11A 3oxxB-2g0fA:
undetectable		 3oxxB-2g0fA:
18.34
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.
2gwn DIHYDROOROTASE

(Porphyromonas
gingivalis) 		PF01979
(Amidohydro_1) 		5 ALA A 121
ILE A  60
GLY A  58
VAL A 386
VAL A 336
 None
 1.25A 3oxxB-2gwnA:
undetectable		 3oxxB-2gwnA:
14.00
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ARG A 269
LEU A 323
ASP A 351
VAL A 359
ILE A 357
 None
 1.27A 3oxxB-2h88A:
undetectable		 3oxxB-2h88A:
9.38
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.
2hzg MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME/ENOLASE
SUPERFAMILY

(Rhodobacter
sphaeroides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 310
ALA A  28
ASP A  27
VAL A 366
ILE A 341
 None
 0.97A 3oxxB-2hzgA:
undetectable		 3oxxB-2hzgA:
12.69
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.
2hzk TRAP-T FAMILY
SORBITOL/MANNITOL
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, SMOM

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		5 ALA A 147
GLY A  98
VAL A  97
VAL A  86
ILE A 145
 None
 1.24A 3oxxB-2hzkA:
undetectable		 3oxxB-2hzkA:
13.81
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
GLY A  49
PRO A  81
ILE A  84
 AB1  A 501 ( 4.7A)
None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.5A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.32A 3oxxB-2rkfA:
20.8		 3oxxB-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 ARG A  10
LEU A  35
ASP A  37
ALA A  40
ASP A  41
 None
 0.84A 3oxxB-2rspA:
13.2		 3oxxB-2rspA:
32.00
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) 		6 ARG A 105
LEU A  35
ASP A  37
ALA A  40
ASP A  41
ILE A 108
 None
 1.47A 3oxxB-2rspA:
13.2		 3oxxB-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.
2v3c SIGNAL RECOGNITION
54 KDA PROTEIN

(Methanocaldococcus
jannaschii) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		5 ALA C 136
ASP C 137
PRO C 212
VAL C 102
ILE C 187
 None
 1.34A 3oxxB-2v3cC:
undetectable		 3oxxB-2v3cC:
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 LEU A 567
ALA A 590
ASP A 591
GLY A 579
ILE A 564
 None
 1.23A 3oxxB-2vz9A:
undetectable		 3oxxB-2vz9A:
3.59
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.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ALA A  73
ASP A  72
VAL A 187
VAL A  86
ILE A 106
 None
None
None
FAD  A 601 (-4.2A)
None
 1.21A 3oxxB-2wdwA:
undetectable		 3oxxB-2wdwA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ARG A 258
LEU A 313
ASP A 341
VAL A 349
ILE A 347
 None
 1.12A 3oxxB-2wu5A:
undetectable		 3oxxB-2wu5A:
10.21
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.
2xua 3-OXOADIPATE
ENOL-LACTONASE

(Paraburkholderia
xenovorans) 		PF12146
(Hydrolase_4) 		5 ARG A  61
LEU A  78
ALA A 196
ASP A 197
ILE A  75
 None
 1.23A 3oxxB-2xuaA:
undetectable		 3oxxB-2xuaA:
17.70
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.
2zc8 N-ACYLAMINO ACID
RACEMASE

(Thermus
thermophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A  35
LEU A 351
ALA A 294
VAL A 356
ILE A 327
 None
 1.27A 3oxxB-2zc8A:
undetectable		 3oxxB-2zc8A:
14.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a31 PROBABLE
THREONYL-TRNA
SYNTHETASE 1

(Aeropyrum
pernix) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ALA A 438
ASP A 437
VAL A 445
VAL A 343
ILE A 363
 None
 1.12A 3oxxB-3a31A:
undetectable		 3oxxB-3a31A:
12.69
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.
3dmo CYTIDINE DEAMINASE

(Burkholderia
pseudomallei) 		PF00383
(dCMP_cyt_deam_1) 		5 ARG A  92
GLY A  27
VAL A  26
VAL A 105
ILE A  75
 None
 0.96A 3oxxB-3dmoA:
undetectable		 3oxxB-3dmoA:
23.61
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.
3gs9 PROTEIN GP18

(Listeria
monocytogenes) 		PF06605
(Prophage_tail) 		5 LEU A 157
ASP A 154
PRO A 166
VAL A 164
ILE A 153
 None
 1.30A 3oxxB-3gs9A:
undetectable		 3oxxB-3gs9A:
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.
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
 1.11A 3oxxB-3gt7A:
undetectable		 3oxxB-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.
3il2 REDOX-SENSING
TRANSCRIPTIONAL
REPRESSOR REX

(Thermus
thermophilus) 		PF02629
(CoA_binding)
PF06971
(Put_DNA-bind_N) 		5 LEU A 145
ALA A  96
ILE A 127
GLY A 125
ILE A  85
 None
 1.31A 3oxxB-3il2A:
undetectable		 3oxxB-3il2A:
23.67
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.
3it4 ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ ALPHA CHAIN
ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ BETA CHAIN

(Mycobacterium
tuberculosis) 		PF01960
(ArgJ) 		5 ASP B 241
ILE A 130
GLY A 128
PRO A  64
VAL A  65
 None
 0.97A 3oxxB-3it4B:
undetectable		 3oxxB-3it4B:
19.90
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.
3l2z BIRA BIFUNCTIONAL
PROTEIN

(Mycobacterium
tuberculosis) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		5 ARG A 189
LEU A 116
ASP A 175
VAL A 132
ILE A 117
 None
 1.23A 3oxxB-3l2zA:
undetectable		 3oxxB-3l2zA:
18.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.41A 3oxxB-3mwsA:
19.9		 3oxxB-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.
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 3oxxB-3n0wA:
undetectable		 3oxxB-3n0wA:
14.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 ASP A 131
ALA A  98
ASP A  92
ILE A  94
ILE A 129
 None
 1.13A 3oxxB-3pdiA:
undetectable		 3oxxB-3pdiA:
11.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s1s RESTRICTION
ENDONUCLEASE BPUSI

(Bacillus
pumilus) 		PF02384
(N6_Mtase)
PF15516
(BpuSI_N) 		5 LEU A 361
ASP A 327
ILE A 351
VAL A 243
ILE A 384
 None
None
None
EDO  A 913 (-3.8A)
EDO  A 913 (-4.2A)
 1.36A 3oxxB-3s1sA:
undetectable		 3oxxB-3s1sA:
7.39
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) 		7 LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
None
017  A 201 (-4.0A)
None
 0.70A 3oxxB-3t3cA:
18.6		 3oxxB-3t3cA:
74.75
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) 		5 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
 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)
 1.25A 3oxxB-3t3cA:
18.6		 3oxxB-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
 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 (-4.1A)
 0.45A 3oxxB-3ttpA:
19.9		 3oxxB-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 LEU A  23
ASP A  25
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 0.31A 3oxxB-3ttpA:
19.9		 3oxxB-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
017  A 202 (-3.6A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 0.46A 3oxxB-3u7sA:
20.1		 3oxxB-3u7sA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
 1.44A 3oxxB-3u7sA:
20.1		 3oxxB-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 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
VAL A  82
 None
 0.70A 3oxxB-3uhlA:
16.1		 3oxxB-3uhlA:
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
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.54A 3oxxB-3uhlA:
16.1		 3oxxB-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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II

(Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ARG A 292
LEU A 346
ASP A 374
VAL A 382
ILE A 380
 None
 1.11A 3oxxB-3vrbA:
undetectable		 3oxxB-3vrbA:
9.61
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.
3zpc RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Acinetobacter
baumannii) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 LEU A 242
ASP A 204
GLY A 197
VAL A 248
ILE A 241
 None
 0.88A 3oxxB-3zpcA:
undetectable		 3oxxB-3zpcA:
15.71
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.
4axv MPAA

(Vibrio
campbellii) 		PF04952
(AstE_AspA) 		5 LEU A 174
ALA A 225
ASP A 224
GLY A  57
VAL A 208
 None
 1.00A 3oxxB-4axvA:
undetectable		 3oxxB-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.
4dr9 PEPTIDE DEFORMYLASE

(Synechococcus
elongatus) 		PF01327
(Pep_deformylase) 		5 LEU A  51
ASP A  41
ILE A  39
VAL A  75
ILE A  47
 None
 1.18A 3oxxB-4dr9A:
undetectable		 3oxxB-4dr9A:
19.02
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		5 LEU A 109
GLY A  62
PRO A 444
VAL A  67
ILE A 114
 None
 1.00A 3oxxB-4e4jA:
undetectable		 3oxxB-4e4jA:
12.21
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.
4fe9 OUTER MEMBRANE
PROTEIN SUSF

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE)
PF17142
(DUF5115) 		5 LEU A 387
ILE A 453
GLY A 482
VAL A 427
ILE A 429
 None
 1.14A 3oxxB-4fe9A:
undetectable		 3oxxB-4fe9A:
14.06
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.
4g1g MATRIX PROTEIN

(Avian
avulavirus 1) 		PF00661
(Matrix) 		5 LEU A 322
ALA A 320
ILE A 314
VAL A 208
ILE A 210
 None
 0.99A 3oxxB-4g1gA:
undetectable		 3oxxB-4g1gA:
14.70
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.
4j5u SERINE
HYDROXYMETHYLTRANSFE
RASE

(Rickettsia
rickettsii) 		PF00464
(SHMT) 		5 ALA A 333
ASP A 337
ILE A 341
VAL A 320
ILE A 361
 None
 1.32A 3oxxB-4j5uA:
undetectable		 3oxxB-4j5uA:
14.11
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.
4lcb CELL DIVISION
PROTEIN CDVC, VPS4

(Acidianus
hospitalis) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 LEU A 133
ALA A 108
PRO A 265
VAL A 264
ILE A 262
 None
 1.21A 3oxxB-4lcbA:
undetectable		 3oxxB-4lcbA:
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.
4lhu 9C2 TCR DELTA CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 LEU D  84
ASP D  88
ILE D  52
GLY D  64
ILE D  81
 None
 1.30A 3oxxB-4lhuD:
undetectable		 3oxxB-4lhuD:
18.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 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 (-3.9A)
RIT  A 500 (-4.3A)
 0.36A 3oxxB-4njvA:
20.8		 3oxxB-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.
4ox8 CARBON
DIOXIDE-CONCENTRATIN
G MECHANISM PROTEIN
CCMK

(Prochlorococcus
marinus) 		PF00936
(BMC) 		5 ALA A  66
GLY A  75
VAL A  72
VAL A  49
ILE A  13
 None
 1.05A 3oxxB-4ox8A:
undetectable		 3oxxB-4ox8A:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pxn UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00171
(Aldedh) 		5 LEU A 307
ALA A 292
ILE A 455
VAL A 276
ILE A 274
 None
 1.03A 3oxxB-4pxnA:
undetectable		 3oxxB-4pxnA:
11.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 5 LEU A  18
ALA A 183
ILE A 156
GLY A  71
VAL A  42
 None
 1.27A 3oxxB-4qfbA:
undetectable		 3oxxB-4qfbA:
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.
4r37 PUTATIVE
ACYL-[ACYL-CARRIER-P
ROTEIN]--UDP-N-ACETY
LGLUCOSAMINE
O-ACYLTRANSFERASE

(Bacteroides
fragilis) 		PF00132
(Hexapep)
PF13720
(Acetyltransf_11) 		5 LEU A 110
ALA A  60
ILE A  44
GLY A  63
ILE A  86
 None
 0.98A 3oxxB-4r37A:
undetectable		 3oxxB-4r37A:
21.55
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.
4tqv ALGM1
ALGM2

(Sphingomonas
sp.) 		PF00528
(BPD_transp_1) 		5 ILE A 147
GLY A 150
VAL A 153
VAL B 259
ILE B 263
 None
 1.14A 3oxxB-4tqvA:
undetectable		 3oxxB-4tqvA:
14.90
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) 		7 ARG A  10
LEU A  30
ASP A  32
ALA A  35
ASP A  36
GLY A  58
ILE A 100
 None
None
4B1  A 201 (-2.9A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
4B1  A 201 (-4.8A)
 0.55A 3oxxB-4ydfA:
13.1		 3oxxB-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.
4zqi D-ALANINE--D-ALANINE
LIGASE

(Yersinia pestis) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		5 LEU A   8
GLY A  87
VAL A  88
VAL A  58
ILE A  60
 None
 1.02A 3oxxB-4zqiA:
undetectable		 3oxxB-4zqiA:
16.33
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 ALA A  28
ASP A  29
GLY A  49
VAL A  50
ILE A  84
 None
 0.84A 3oxxB-5b18A:
18.3		 3oxxB-5b18A:
76.77
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 ALA A  28
ASP A  29
VAL A  50
PRO A  81
ILE A  84
 None
 1.29A 3oxxB-5b18A:
18.3		 3oxxB-5b18A:
76.77
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
GLY A  49
ILE A  84
 None
 0.81A 3oxxB-5b18A:
18.3		 3oxxB-5b18A:
76.77
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
PRO A  81
ILE A  84
 None
 0.52A 3oxxB-5b18A:
18.3		 3oxxB-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.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASP A  83
ILE A  36
GLY A  31
VAL A  30
ILE A  56
 None
None
MG  A 601 ( 4.6A)
MG  A 601 (-4.8A)
None
 0.92A 3oxxB-5brqA:
undetectable		 3oxxB-5brqA:
10.25
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.
5hm7 BUTYROPHILIN
SUBFAMILY 3 MEMBER
A1

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		5 LEU A 434
ALA A 310
ASP A 311
ILE A 480
VAL A 381
 None
 1.28A 3oxxB-5hm7A:
undetectable		 3oxxB-5hm7A:
14.52
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.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00180
(Iso_dh) 		5 ALA A 324
ASP A 326
PRO A 335
VAL A  57
ILE A  53
 None
 1.34A 3oxxB-5j32A:
undetectable		 3oxxB-5j32A:
14.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lyk BUTYROPHILIN
SUBFAMILY 3 MEMBER
A1

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		5 LEU A 464
ALA A 340
ASP A 341
ILE A 510
VAL A 411
 None
 1.34A 3oxxB-5lykA:
undetectable		 3oxxB-5lykA:
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.
5m72 SIGNAL RECOGNITION
PARTICLE SUBUNIT
SRP72

(Homo sapiens) 		PF17004
(SRP_TPR_like) 		5 ASP A  44
ALA A  47
PRO A  12
VAL A  11
ILE A  37
 None
 1.11A 3oxxB-5m72A:
undetectable		 3oxxB-5m72A:
20.51
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
ILE A  47
GLY A  49
PRO A  81
ILE A  84
 None
 0.37A 3oxxB-5t2zA:
20.0		 3oxxB-5t2zA:
77.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		6 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
 None
 1.47A 3oxxB-5t2zA:
20.0		 3oxxB-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.
5wxv ISOCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 LEU A  59
ALA A 178
ASP A 179
GLY A 174
VAL A 173
 None
 1.13A 3oxxB-5wxvA:
undetectable		 3oxxB-5wxvA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y0q UPF0348 PROTEIN
B4417_3650

(Bacillus
subtilis) 		no annotation 5 LEU A  70
ALA A 332
VAL A 360
VAL A  36
ILE A  89
 None
 1.24A 3oxxB-5y0qA:
undetectable		 3oxxB-5y0qA:
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.
6c0d AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Paraburkholderia
phymatum) 		no annotation 5 ALA A 342
ASP A 343
PRO A 376
VAL A 375
ILE A 202
 None
SO4  A 504 (-4.1A)
EDO  A 509 ( 4.5A)
None
None
 1.23A 3oxxB-6c0dA:
undetectable		 3oxxB-6c0dA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cc2 CELL DIVISION
CONTROL PROTEIN 45
CDC45 PUTATIVE

(Entamoeba
histolytica) 		no annotation 5 ALA A 357
ILE A 213
GLY A 362
VAL A  37
ILE A 206
 None
 1.13A 3oxxB-6cc2A:
undetectable		 3oxxB-6cc2A:
21.90
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  59
 None
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)
 0.38A 3oxxB-6fivA:
15.4		 3oxxB-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) 		7 ARG A  13
LEU A  28
ASP A  30
ALA A  33
ASP A  34
VAL A  59
VAL A  99
 None
None
3TL  A 201 (-3.5A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 (-4.3A)
None
 0.56A 3oxxB-6fivA:
15.4		 3oxxB-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
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
NIU  A 100 ( 3.8A)
None
None
 0.65A 3oxxB-6upjA:
18.2		 3oxxB-6upjA:
48.48