SIMILAR PATTERNS OF AMINO ACIDS FOR 3OXX_C_DR7C100

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.
1dl3 PROTEIN
(PHOSPHORIBOSYLANTRA
NILATE ISOMERASE)

(Thermotoga
maritima) 		PF00697
(PRAI) 		5 GLY A  22
ALA A  23
VAL A   2
VAL A 179
ILE A   6
 None
None
None
SO4  A 300 (-4.0A)
None
 0.95A 3oxxC-1dl3A:
undetectable		 3oxxC-1dl3A:
14.22
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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		5 GLY A 294
ALA A 295
ASP A 296
VAL A 241
ILE A 290
 None
 1.03A 3oxxC-1fcuA:
undetectable		 3oxxC-1fcuA:
12.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		5 LEU A 133
GLY A 138
ILE A 152
VAL A 131
ILE A 168
 LEU  A 133 ( 0.6A)
GLY  A 138 ( 0.0A)
ILE  A 152 ( 0.7A)
VAL  A 131 ( 0.6A)
ILE  A 168 ( 0.6A)
 1.02A 3oxxC-1fxjA:
undetectable		 3oxxC-1fxjA:
15.32
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
GLY A  48
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.84A 3oxxC-1hvcA:
14.0		 3oxxC-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)
 1.45A 3oxxC-1hvcA:
14.0		 3oxxC-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)
 1.34A 3oxxC-1hvcA:
14.0		 3oxxC-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
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 (-3.0A)
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)
 0.46A 3oxxC-1hvcA:
14.0		 3oxxC-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
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 (-3.0A)
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)
 0.44A 3oxxC-1hvcA:
14.0		 3oxxC-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
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 (-3.0A)
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)
 0.64A 3oxxC-1hvcA:
14.0		 3oxxC-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) 		5 ARG A   8
LEU A  23
GLY A  51
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
None
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.97A 3oxxC-1hvcA:
14.0		 3oxxC-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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 GLY A 181
ALA A 182
ILE A 109
PRO A 206
ILE A 200
 None
 0.91A 3oxxC-1kplA:
undetectable		 3oxxC-1kplA:
12.47
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
ILE A  84
 None
 0.45A 3oxxC-1q9pA:
10.3		 3oxxC-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.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		5 LEU A  71
GLY A  53
ASP A  21
VAL A  74
ILE A  16
 None
None
CA  A 698 (-3.2A)
None
None
 1.00A 3oxxC-1qhoA:
undetectable		 3oxxC-1qhoA:
8.97
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
 0.44A 3oxxC-1sivA:
18.3		 3oxxC-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.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		5 LEU A 215
GLY A 231
ALA A 230
VAL A 213
ILE A 225
 None
 0.92A 3oxxC-1tcsA:
undetectable		 3oxxC-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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 GLY A 188
ALA A 189
ASP A 190
VAL A 127
ILE A 158
 None
 0.74A 3oxxC-1to3A:
undetectable		 3oxxC-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.
1wac P2 PROTEIN

(Pseudomonas
virus phi6) 		PF00680
(RdRP_1) 		5 LEU A 252
GLY A  35
PRO A 261
VAL A 260
ILE A 258
 None
 1.04A 3oxxC-1wacA:
undetectable		 3oxxC-1wacA:
9.91
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.
1wrj METHYLATED-DNA--PROT
EIN-CYSTEINE
METHYLTRANSFERASE

(Sulfurisphaera
tokodaii) 		PF01035
(DNA_binding_1) 		5 ARG A 140
LEU A 129
ILE A  83
GLY A  86
ILE A 124
 None
 0.98A 3oxxC-1wrjA:
undetectable		 3oxxC-1wrjA:
23.53
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.
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
PRO A 475
 None
 1.02A 3oxxC-1yr2A:
undetectable		 3oxxC-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.
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
 1.04A 3oxxC-2ayyA:
undetectable		 3oxxC-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.
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
PRO A 431
 None
 1.06A 3oxxC-2bklA:
undetectable		 3oxxC-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.
2bws XAA-PRO
AMINOPEPTIDASE P

(Escherichia
coli) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ARG A 221
GLY A 262
ALA A 261
ASP A 260
ILE A 215
 None
None
None
MN  A1442 (-2.0A)
None
 0.74A 3oxxC-2bwsA:
undetectable		 3oxxC-2bwsA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d7i POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 10

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 319
ALA A 318
VAL A 262
VAL A 368
ILE A 266
 NGA  A 702 (-3.7A)
NGA  A 702 (-3.0A)
None
None
NGA  A 702 ( 4.6A)
 1.00A 3oxxC-2d7iA:
undetectable		 3oxxC-2d7iA:
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.
2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 308
ALA A 307
ILE A 351
VAL A 312
ILE A 253
 None
 1.05A 3oxxC-2ffuA:
undetectable		 3oxxC-2ffuA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 308
ALA A 307
ILE A 351
VAL A 357
ILE A 253
 None
 0.95A 3oxxC-2ffuA:
undetectable		 3oxxC-2ffuA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 GLY A 308
ALA A 307
VAL A 249
VAL A 357
ILE A 253
 None
 1.00A 3oxxC-2ffuA:
undetectable		 3oxxC-2ffuA:
11.41
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
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 (-3.8A)
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 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.47A 3oxxC-2fmbA:
14.8		 3oxxC-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.
2fsn HYPOTHETICAL PROTEIN
TA0583

(Thermoplasma
acidophilum) 		no annotation 5 LEU A 255
GLY A 205
ILE A 175
GLY A 284
ILE A 290
 None
None
None
ADP  A 328 ( 4.3A)
None
 0.94A 3oxxC-2fsnA:
undetectable		 3oxxC-2fsnA:
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.
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
 0.96A 3oxxC-2h6eA:
undetectable		 3oxxC-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.
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
 0.93A 3oxxC-2hzgA:
undetectable		 3oxxC-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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 LEU A 283
GLY A  63
ALA A  62
VAL A 279
ILE A 280
 None
 0.94A 3oxxC-2ri6A:
undetectable		 3oxxC-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) 		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)
 0.45A 3oxxC-2rkfA:
20.6		 3oxxC-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
 0.84A 3oxxC-2rspA:
12.8		 3oxxC-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
 1.39A 3oxxC-2rspA:
12.8		 3oxxC-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
 0.38A 3oxxC-2rspA:
12.8		 3oxxC-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.
2v6b L-LACTATE
DEHYDROGENASE

(Deinococcus
radiodurans) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A 136
GLY A 251
ALA A  36
VAL A  93
ILE A  95
 None
 0.98A 3oxxC-2v6bA:
undetectable		 3oxxC-2v6bA:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH)
PF00148
(Oxidored_nitro) 		5 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.99A 3oxxC-2ynmA:
undetectable		 3oxxC-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3oxxC-3d79A:
undetectable		 3oxxC-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
 0.63A 3oxxC-3dbgA:
undetectable		 3oxxC-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.
3dqg HEAT SHOCK 70 KDA
PROTEIN F

(Caenorhabditis
elegans) 		PF00012
(HSP70) 		5 LEU A 484
ASP A 515
GLY A 517
VAL A 461
ILE A 487
 None
 0.98A 3oxxC-3dqgA:
undetectable		 3oxxC-3dqgA:
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.
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
 0.94A 3oxxC-3eh0A:
undetectable		 3oxxC-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
 0.78A 3oxxC-3fbsA:
undetectable		 3oxxC-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.
3fs2 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Brucella
melitensis) 		PF00793
(DAHP_synth_1) 		5 GLY A  75
ASP A  61
ILE A  98
PRO A 109
VAL A 110
 None
 0.73A 3oxxC-3fs2A:
undetectable		 3oxxC-3fs2A:
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.
3gt7 SENSOR PROTEIN

(Syntrophus
aciditrophicus) 		PF00072
(Response_reg) 		6 ARG A 102
GLY A 107
ALA A 108
ASP A 109
ILE A  59
VAL A  63
 None
 1.12A 3oxxC-3gt7A:
undetectable		 3oxxC-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.
3gt7 SENSOR PROTEIN

(Syntrophus
aciditrophicus) 		PF00072
(Response_reg) 		5 ARG A 102
GLY A 107
ALA A 108
ASP A 109
ILE A  89
 None
 1.01A 3oxxC-3gt7A:
undetectable		 3oxxC-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.
3hh1 TETRAPYRROLE
METHYLASE FAMILY
PROTEIN

(Chlorobaculum
tepidum) 		PF00590
(TP_methylase) 		5 LEU A  79
GLY A 111
ALA A 110
VAL A  75
ILE A  76
 None
 0.92A 3oxxC-3hh1A:
undetectable		 3oxxC-3hh1A:
22.40
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.
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
 0.94A 3oxxC-3it4B:
undetectable		 3oxxC-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.
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
 0.83A 3oxxC-3j7aH:
undetectable		 3oxxC-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.
3kf3 INVERTASE

(Schwanniomyces
occidentalis) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ASP A 287
GLY A 289
ASP A 291
ILE A 485
PRO A 355
 None
None
None
None
NAG  A5001 ( 4.9A)
 0.97A 3oxxC-3kf3A:
undetectable		 3oxxC-3kf3A:
12.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kum DIPEPTIDE EPIMERASE

(Enterococcus
faecalis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A  63
GLY A  48
ALA A 101
ILE A  36
ILE A  66
 None
 1.04A 3oxxC-3kumA:
undetectable		 3oxxC-3kumA:
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.
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
 0.91A 3oxxC-3l7gA:
undetectable		 3oxxC-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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 ALA A 568
VAL A 580
PRO A 614
VAL A 615
ILE A 617
 None
 0.95A 3oxxC-3lk6A:
undetectable		 3oxxC-3lk6A:
10.33
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.
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
 0.87A 3oxxC-3lxdA:
undetectable		 3oxxC-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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 310
ALA A 336
ASP A 337
VAL A 363
ILE A 149
 None
 1.02A 3oxxC-3mwcA:
undetectable		 3oxxC-3mwcA:
15.86
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
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.46A 3oxxC-3mwsA:
19.5		 3oxxC-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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT

(Komagataella
pastoris) 		PF00365
(PFK) 		5 GLY A 419
ALA A 420
ASP A 421
VAL A 402
ILE A 457
 None
 0.83A 3oxxC-3opyA:
undetectable		 3oxxC-3opyA:
7.45
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.
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)
 0.34A 3oxxC-3slzA:
11.0		 3oxxC-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
 0.82A 3oxxC-3t2yA:
undetectable		 3oxxC-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) 		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
 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
017  A 201 (-4.0A)
None
 0.79A 3oxxC-3t3cA:
17.9		 3oxxC-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) 		8 ARG A   8
LEU A  23
ASP A  25
GLY A  27
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 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
 0.45A 3oxxC-3ttpA:
19.2		 3oxxC-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) 		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
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)
 0.40A 3oxxC-3ttpA:
19.2		 3oxxC-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)
 1.40A 3oxxC-3u7sA:
19.4		 3oxxC-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)
 0.55A 3oxxC-3u7sA:
19.4		 3oxxC-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
 0.57A 3oxxC-3uhlA:
15.8		 3oxxC-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) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.48A 3oxxC-3uhlA:
15.8		 3oxxC-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.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 LEU A 498
GLY A 433
ALA A 580
VAL A 576
ILE A 430
 None
 0.97A 3oxxC-3ummA:
undetectable		 3oxxC-3ummA:
6.01
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		5 LEU A 241
GLY A 217
ALA A 218
GLY A 275
ILE A 229
 None
 1.04A 3oxxC-3zxlA:
undetectable		 3oxxC-3zxlA:
10.70
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.
4b45 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 ASP A  33
GLY A   7
VAL A   8
VAL A 127
ILE A  97
 None
 0.97A 3oxxC-4b45A:
undetectable		 3oxxC-4b45A:
12.32
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.
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
 1.01A 3oxxC-4ce7A:
undetectable		 3oxxC-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
 0.98A 3oxxC-4dwqA:
undetectable		 3oxxC-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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		5 LEU A 109
GLY A  62
PRO A 444
VAL A  67
ILE A 114
 None
 1.06A 3oxxC-4e4jA:
undetectable		 3oxxC-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.
4etp KINESIN-LIKE PROTEIN
KAR3

(Saccharomyces
cerevisiae) 		PF00225
(Kinesin) 		5 LEU A 695
ASP A 626
ILE A 492
GLY A 490
ILE A 470
 None
MG  A 802 ( 4.1A)
None
None
None
 0.87A 3oxxC-4etpA:
undetectable		 3oxxC-4etpA:
13.92
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.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 LEU A 570
GLY A 534
ILE A 513
GLY A 515
ILE A 536
 None
 0.90A 3oxxC-4fm9A:
undetectable		 3oxxC-4fm9A:
8.74
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.
4hnn DIHYDRODIPICOLINATE
SYNTHASE

(Vitis vinifera) 		PF00701
(DHDPS) 		5 GLY A 221
ILE A  25
GLY A 182
VAL A 183
ILE A  31
 None
None
None
KPI  A 184 ( 2.9A)
None
 0.87A 3oxxC-4hnnA:
undetectable		 3oxxC-4hnnA:
17.58
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.
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
 0.90A 3oxxC-4krgA:
undetectable		 3oxxC-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.
4l4w ESPG3

(Mycolicibacterium
smegmatis) 		PF14011
(ESX-1_EspG) 		5 LEU A  16
GLY A  21
ALA A  22
VAL A  68
ILE A  72
 None
 1.06A 3oxxC-4l4wA:
undetectable		 3oxxC-4l4wA:
15.66
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) 		10 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
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)
RIT  A 500 ( 4.5A)
RIT  A 500 (-3.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-4.3A)
 0.40A 3oxxC-4njvA:
20.5		 3oxxC-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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 ASP A 170
GLY A 172
ALA A 173
PRO A 131
ILE A 165
 None
 0.83A 3oxxC-4o1eA:
undetectable		 3oxxC-4o1eA:
17.09
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.
4pv4 PROLINE
AMINOPEPTIDASE P II

(Yersinia pestis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		5 ARG A 219
GLY A 260
ALA A 259
ASP A 258
ILE A 213
 None
None
None
MG  A 501 ( 2.0A)
None
 0.73A 3oxxC-4pv4A:
undetectable		 3oxxC-4pv4A:
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.
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
 0.99A 3oxxC-4r37A:
undetectable		 3oxxC-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
 1.06A 3oxxC-4re2A:
undetectable		 3oxxC-4re2A:
10.48
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)
 0.50A 3oxxC-4ydfA:
12.6		 3oxxC-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.
4zox RIBOSOME ASSEMBLY
PROTEIN SQT1

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 419
ALA A 418
GLY A  84
VAL A  80
ILE A  71
 None
 1.04A 3oxxC-4zoxA:
undetectable		 3oxxC-4zoxA:
13.23
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
 0.63A 3oxxC-5b18A:
18.0		 3oxxC-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
GLY A  27
ALA A  28
ASP A  29
GLY A  49
 None
 0.80A 3oxxC-5b18A:
18.0		 3oxxC-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
GLY A  27
ALA A  28
ASP A  29
ILE A  84
 None
 0.41A 3oxxC-5b18A:
18.0		 3oxxC-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.
5c2z EXFOLIATIVE TOXIN D2

(Staphylococcus
aureus) 		PF00089
(Trypsin) 		5 GLY A 217
ALA A  81
GLY A  71
VAL A  70
ILE A  97
 None
 0.94A 3oxxC-5c2zA:
undetectable		 3oxxC-5c2zA:
17.93
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.
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
 1.04A 3oxxC-5e1bA:
undetectable		 3oxxC-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
 0.95A 3oxxC-5fqlA:
undetectable		 3oxxC-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.
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
 0.94A 3oxxC-5hs0A:
undetectable		 3oxxC-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.
5m5j THIOREDOXIN
REDUCTASE

(Giardia
intestinalis) 		PF07992
(Pyr_redox_2) 		5 GLY A  22
ALA A  21
GLY A  14
VAL A  36
ILE A 111
 None
None
FAD  A1001 (-3.3A)
FAD  A1001 (-4.4A)
None
 0.89A 3oxxC-5m5jA:
undetectable		 3oxxC-5m5jA:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 3oxxC-5n28B:
undetectable		 3oxxC-5n28B:
13.20
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.
5ndf POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		no annotation 5 GLY A 308
ALA A 307
ILE A 351
VAL A 357
ILE A 253
 EDO  A 604 (-3.7A)
EDO  A 605 ( 3.4A)
EDO  A 603 ( 4.4A)
None
LU2  A 608 ( 4.0A)
 1.00A 3oxxC-5ndfA:
undetectable		 3oxxC-5ndfA:
9.84
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.
5ndf POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		no annotation 5 GLY A 308
ALA A 307
VAL A 249
VAL A 357
ILE A 253
 EDO  A 604 (-3.7A)
EDO  A 605 ( 3.4A)
None
None
LU2  A 608 ( 4.0A)
 1.00A 3oxxC-5ndfA:
undetectable		 3oxxC-5ndfA:
9.84
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) 		10 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
ILE A  84
 None
 0.46A 3oxxC-5t2zA:
19.8		 3oxxC-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.
5ve3 BPPRF

(Paraburkholderia
phytofirmans) 		no annotation 5 GLY B  88
ALA B  89
ASP B  90
VAL B  59
ILE B  80
 None
 0.85A 3oxxC-5ve3B:
undetectable		 3oxxC-5ve3B:
14.54
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 3oxxC-6fivA:
15.2		 3oxxC-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 ARG A  13
LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
VAL A  59
VAL A  99
 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 (-4.3A)
None
 0.53A 3oxxC-6fivA:
15.2		 3oxxC-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
 0.74A 3oxxC-6upjA:
17.8		 3oxxC-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
GLY A  27
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
None
 0.67A 3oxxC-6upjA:
17.8		 3oxxC-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) 		6 LEU B 449
ALA B 413
ILE B 503
GLY B 499
VAL B 498
ILE B 445
 None
 1.25A 3oxxD-1a6dB:
undetectable		 3oxxD-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.
1cij PROTEIN (HALOALKANE
DEHALOGENASE)

(Xanthobacter
autotrophicus) 		PF00561
(Abhydrolase_1) 		5 ALA A 149
ASP A 124
GLY A 264
PRO A 281
ILE A 146
 None
BR  A 401 ( 4.8A)
None
None
None
 0.99A 3oxxD-1cijA:
undetectable		 3oxxD-1cijA:
15.55
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.
1ctt CYTIDINE DEAMINASE

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF08211
(dCMP_cyt_deam_2) 		5 ARG A 133
ALA A 107
GLY A  74
VAL A  73
ILE A 122
 None
None
None
DHZ  A 295 (-4.5A)
None
 0.96A 3oxxD-1cttA:
undetectable		 3oxxD-1cttA:
16.10
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 ALA A  28
ASP A  29
GLY A  48
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-4.1A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 0.93A 3oxxD-1hvcA:
14.1		 3oxxD-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
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 A79  A 800 (-3.4A)
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 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
 0.57A 3oxxD-1hvcA:
14.1		 3oxxD-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
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)
 0.40A 3oxxD-1hvcA:
14.1		 3oxxD-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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
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 (-3.2A)
A79  A 800 ( 4.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 3.4A)
 1.46A 3oxxD-1hvcA:
14.1		 3oxxD-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
ILE A  47
GLY A  51
VAL A  82
ILE A  84
 A79  A 800 (-3.6A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
None
A79  A 800 (-4.5A)
A79  A 800 (-3.8A)
 1.25A 3oxxD-1hvcA:
14.1		 3oxxD-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.
1ij9 VASCULAR CELL
ADHESION PROTEIN 1

(Homo sapiens) 		PF05790
(C2-set)
PF07679
(I-set) 		5 LEU A 169
ALA A 189
ASP A  94
VAL A 111
ILE A  97
 None
 0.98A 3oxxD-1ij9A:
undetectable		 3oxxD-1ij9A:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mf1 ADENYLOSUCCINATE
SYNTHETASE

(Mus musculus) 		PF00709
(Adenylsucc_synt) 		5 LEU A 406
ASP A 368
ILE A 366
VAL A 375
ILE A 373
 None
 0.91A 3oxxD-1mf1A:
undetectable		 3oxxD-1mf1A:
12.75
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.
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
 0.82A 3oxxD-1mq0A:
undetectable		 3oxxD-1mq0A:
21.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q9p HIV-1 PROTEASE

(Homo sapiens) 		PF00077
(RVP) 		5 ASP A  25
ALA A  28
ASP A  29
PRO A  81
ILE A  84
 None
 0.81A 3oxxD-1q9pA:
10.7		 3oxxD-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.
1qrp PEPSIN 3A

(Homo sapiens) 		PF00026
(Asp) 		5 LEU E 155
ASP E 303
GLY E  34
VAL E 153
ILE E 306
 None
None
HH0  E 327 (-4.1A)
None
None
 0.96A 3oxxD-1qrpE:
6.5		 3oxxD-1qrpE:
15.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.82A 3oxxD-1rgyA:
undetectable		 3oxxD-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
 0.85A 3oxxD-1s6rA:
undetectable		 3oxxD-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) 		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
 None
 0.61A 3oxxD-1sivA:
18.9		 3oxxD-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) 		5 ASP A  25
ALA A  28
ASP A  29
GLY A  48
ILE A  84
 None
 0.85A 3oxxD-1sivA:
18.9		 3oxxD-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.
1to3 PUTATIVE ALDOLASE
YIHT

(Salmonella
enterica) 		PF01791
(DeoC) 		5 LEU A 184
ALA A 189
ASP A 190
VAL A 127
ILE A 158
 None
 0.88A 3oxxD-1to3A:
undetectable		 3oxxD-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.
1tuo PUTATIVE
PHOSPHOMANNOMUTASE

(Thermus
thermophilus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 LEU A 193
ALA A 252
ASP A 251
VAL A 337
ILE A 349
 None
 1.01A 3oxxD-1tuoA:
undetectable		 3oxxD-1tuoA:
13.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wwr TRNA ADENOSINE
DEAMINASE TADA

(Aquifex
aeolicus) 		PF14437
(MafB19-deam) 		5 LEU A  89
ALA A  57
GLY A  26
VAL A  25
VAL A  97
 None
 0.96A 3oxxD-1wwrA:
undetectable		 3oxxD-1wwrA:
18.82
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 LEU A 362
ALA A 588
ILE A 450
GLY A 581
ILE A 416
 None
 0.94A 3oxxD-1z8lA:
undetectable		 3oxxD-1z8lA:
9.57
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.
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 3oxxD-2a2fX:
undetectable		 3oxxD-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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 LEU A 316
ILE A 376
GLY A 357
VAL A 343
ILE A 347
 None
 0.78A 3oxxD-2cunA:
undetectable		 3oxxD-2cunA:
13.09
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.
2d30 CYTIDINE DEAMINASE

(Bacillus
anthracis) 		PF00383
(dCMP_cyt_deam_1) 		5 ARG A  90
GLY A  27
VAL A  26
VAL A 103
ILE A  73
 None
 1.02A 3oxxD-2d30A:
undetectable		 3oxxD-2d30A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e7u GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		5 ALA A 124
ILE A 283
GLY A 279
PRO A 259
ILE A 236
 None
 0.97A 3oxxD-2e7uA:
undetectable		 3oxxD-2e7uA:
15.13
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) 		10 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
ILE A  53
GLY A  55
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 (-3.9A)
LP1  A 201 ( 4.9A)
LP1  A 201 (-4.2A)
 0.56A 3oxxD-2fmbA:
15.6		 3oxxD-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) 		10 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
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 (-4.2A)
 0.50A 3oxxD-2fmbA:
15.6		 3oxxD-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) 		6 ARG A 103
ALA A  70
GLY A  39
VAL A  38
VAL A 115
ILE A  85
 None
None
None
TYU  A1001 (-4.1A)
None
None
 0.91A 3oxxD-2fr5A:
undetectable		 3oxxD-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.
2hdn ELONGATION FACTOR
EF-TU

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 LEU B 103
ASP B 161
GLY B 126
VAL B 125
ILE B 130
 None
 0.95A 3oxxD-2hdnB:
undetectable		 3oxxD-2hdnB:
18.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3oxxD-2hzgA:
undetectable		 3oxxD-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.
2kpo ROSSMANN 2X2 FOLD
PROTEIN

(synthetic
construct) 		no annotation 5 LEU A   6
ALA A  67
ASP A  65
VAL A  54
ILE A  56
 None
 1.01A 3oxxD-2kpoA:
undetectable		 3oxxD-2kpoA:
16.82
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.
2r15 MYOMESIN-1

(Homo sapiens) 		PF07679
(I-set) 		5 LEU A1477
ALA A1554
GLY A1548
VAL A1544
ILE A1468
 None
 1.01A 3oxxD-2r15A:
undetectable		 3oxxD-2r15A:
24.42
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.
2ri6 2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE

(Paraburkholderia
xenovorans) 		PF12697
(Abhydrolase_6) 		5 LEU A 283
ALA A  62
GLY A  57
VAL A 279
ILE A 280
 None
 0.95A 3oxxD-2ri6A:
undetectable		 3oxxD-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) 		5 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.2A)
AB1  A 501 (-4.2A)
AB1  A 501 ( 4.2A)
 0.91A 3oxxD-2rkfA:
20.7		 3oxxD-2rkfA:
83.84
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)
 0.35A 3oxxD-2rkfA:
20.7		 3oxxD-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 3oxxD-2rspA:
13.2		 3oxxD-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 3oxxD-2rspA:
13.2		 3oxxD-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.
2v40 ADENYLOSUCCINATE
SYNTHETASE ISOZYME 2

(Homo sapiens) 		PF00709
(Adenylsucc_synt) 		5 LEU A 405
ASP A 367
ILE A 365
VAL A 374
ILE A 372
 None
 1.00A 3oxxD-2v40A:
undetectable		 3oxxD-2v40A:
12.85
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.
2vvg KINESIN-2

(Giardia
intestinalis) 		PF00225
(Kinesin) 		5 LEU A 307
ASP A 241
ILE A 117
GLY A 115
ILE A  93
 None
MG  A1352 ( 4.1A)
None
None
None
 0.80A 3oxxD-2vvgA:
undetectable		 3oxxD-2vvgA:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wwo SUPEROXIDE DISMUTASE
[CU-ZN]

(Yersinia
pseudotuberculosis) 		PF00080
(Sod_Cu) 		5 LEU A 132
ALA A 156
PRO A  41
VAL A  28
ILE A  13
 None
 1.02A 3oxxD-2wwoA:
undetectable		 3oxxD-2wwoA:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yn9 POTASSIUM-TRANSPORTI
NG ATPASE ALPHA
CHAIN 1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF09040
(H-K_ATPase_N)
PF13246
(Cation_ATPase) 		5 ASP A 851
ASP A 779
ILE A 777
GLY A 377
PRO A 292
 None
 1.00A 3oxxD-2yn9A:
undetectable		 3oxxD-2yn9A:
6.86
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH)
PF00148
(Oxidored_nitro) 		5 LEU A  87
ALA C  71
GLY A 125
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-4.1A)
None
EPE  A1298 (-4.9A)
 0.99A 3oxxD-2ynmA:
undetectable		 3oxxD-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE
IRON-SULFUR
ATP-BINDING PROTEIN
LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Prochlorococcus
marinus) 		PF00142
(Fer4_NifH)
PF00148
(Oxidored_nitro) 		5 LEU A  87
ALA C  71
GLY A 126
VAL A  83
ILE A  84
 None
None
SF4  A1302 (-3.9A)
None
EPE  A1298 (-4.9A)
 0.97A 3oxxD-2ynmA:
undetectable		 3oxxD-2ynmA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yop PROTEIN FAM3B

(Mus musculus) 		PF15711
(ILEI) 		5 ALA A 170
ASP A 169
ILE A 179
GLY A 175
ILE A 142
 None
 1.01A 3oxxD-2yopA:
undetectable		 3oxxD-2yopA:
20.35
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.
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
 0.92A 3oxxD-2zc7A:
undetectable		 3oxxD-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
 0.83A 3oxxD-2zj9A:
undetectable		 3oxxD-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.
3bs8 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE

(Bacillus
subtilis) 		PF00202
(Aminotran_3) 		5 ALA A 125
ILE A 285
GLY A 281
VAL A 109
ILE A 238
 None
 0.98A 3oxxD-3bs8A:
undetectable		 3oxxD-3bs8A:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d43 SPHERICASE

(Lysinibacillus
sphaericus) 		PF00082
(Peptidase_S8) 		5 ALA A  97
ASP A  96
GLY A  92
PRO A 254
ILE A  30
 None
 1.00A 3oxxD-3d43A:
undetectable		 3oxxD-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.
3dh1 TRNA-SPECIFIC
ADENOSINE DEAMINASE
2

(Homo sapiens) 		PF14437
(MafB19-deam) 		5 LEU A 114
ALA A  76
GLY A  45
VAL A  44
VAL A 122
 None
 0.90A 3oxxD-3dh1A:
undetectable		 3oxxD-3dh1A:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dmo CYTIDINE DEAMINASE

(Burkholderia
pseudomallei) 		PF00383
(dCMP_cyt_deam_1) 		5 ALA A  58
GLY A  27
VAL A  26
VAL A 105
ILE A  75
 None
 0.90A 3oxxD-3dmoA:
undetectable		 3oxxD-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.
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
 1.00A 3oxxD-3dmoA:
undetectable		 3oxxD-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.
3f6r FLAVODOXIN

(Desulfovibrio
desulfuricans) 		PF00258
(Flavodoxin_1) 		5 ALA A 141
ASP A 143
ILE A 120
VAL A  33
ILE A  26
 None
 0.97A 3oxxD-3f6rA:
undetectable		 3oxxD-3f6rA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kar KINESIN-LIKE PROTEIN
KAR3

(Saccharomyces
cerevisiae) 		PF00225
(Kinesin) 		5 LEU A 695
ASP A 626
ILE A 492
GLY A 490
ILE A 470
 None
MG  A 997 ( 3.8A)
None
None
None
 0.89A 3oxxD-3karA:
undetectable		 3oxxD-3karA:
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.
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
 0.97A 3oxxD-3lxdA:
undetectable		 3oxxD-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.
3mmp ELONGATION FACTOR TU
2, ELONGATION FACTOR
TS

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 LEU A1103
ASP A1161
GLY A1126
VAL A1125
ILE A1130
 None
 0.96A 3oxxD-3mmpA:
undetectable		 3oxxD-3mmpA:
10.32
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.
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
 0.97A 3oxxD-3mt0A:
undetectable		 3oxxD-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) 		5 ALA A  28
ASP A  29
GLY A  48
PRO A  81
ILE A  84
 None
 0.96A 3oxxD-3mwsA:
19.5		 3oxxD-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
ALA A  28
ASP A  29
ILE A  47
GLY A  49
PRO A  81
VAL A  82
ILE A  84
 None
 0.35A 3oxxD-3mwsA:
19.5		 3oxxD-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) 		8 LEU A  23
ASP A  25
ALA A  28
ASP A  30
ILE A  47
PRO A  81
VAL A  82
ILE A  84
 None
 1.49A 3oxxD-3mwsA:
19.5		 3oxxD-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.
3ncy ADIC

(Salmonella
enterica) 		PF13520
(AA_permease_2) 		5 ALA A 304
ASP A 307
GLY A  72
VAL A 212
PRO A 364
 None
 1.00A 3oxxD-3ncyA:
undetectable		 3oxxD-3ncyA:
12.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nze PUTATIVE
TRANSCRIPTIONAL
REGULATOR,
SUGAR-BINDING FAMILY

(Paenarthrobacter
aurescens) 		PF04198
(Sugar-bind) 		5 ILE A 207
GLY A 209
VAL A 210
VAL A  94
ILE A 304
 None
 1.01A 3oxxD-3nzeA:
undetectable		 3oxxD-3nzeA:
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.
3o98 BIFUNCTIONAL
GLUTATHIONYLSPERMIDI
NE
SYNTHETASE/AMIDASE

(Escherichia
coli) 		PF03738
(GSP_synth)
PF05257
(CHAP) 		5 LEU A 138
ALA A 116
GLY A 187
VAL A 143
ILE A 135
 None
 1.01A 3oxxD-3o98A:
undetectable		 3oxxD-3o98A:
10.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 LEU A 351
ALA A  96
ASP A  95
ILE A  69
GLY A   7
VAL A  15
 None
None
None
None
NAP  A 372 (-3.1A)
None
 1.15A 3oxxD-3pzrA:
undetectable		 3oxxD-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.
3sjn MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ARG A 371
ILE A 108
GLY A  40
VAL A  39
ILE A  29
 None
 1.02A 3oxxD-3sjnA:
undetectable		 3oxxD-3sjnA:
14.74
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.
3t0q AGR253WP

(Eremothecium
gossypii) 		PF00225
(Kinesin) 		5 LEU A 676
ASP A 607
ILE A 471
GLY A 469
ILE A 449
 None
MG  A 997 ( 4.2A)
None
None
None
 0.96A 3oxxD-3t0qA:
undetectable		 3oxxD-3t0qA:
12.98
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
 0.71A 3oxxD-3t3cA:
18.5		 3oxxD-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) 		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
 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)
017  A 201 (-4.7A)
 0.48A 3oxxD-3ttpA:
19.5		 3oxxD-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) 		8 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
ILE A  84
 017  A 201 ( 4.8A)
None
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-4.6A)
017  A 201 (-3.0A)
017  A 201 (-4.1A)
017  A 201 (-4.7A)
 1.42A 3oxxD-3ttpA:
19.5		 3oxxD-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)
 0.47A 3oxxD-3u7sA:
19.9		 3oxxD-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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 1.38A 3oxxD-3u7sA:
19.9		 3oxxD-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) 		7 ARG A   8
LEU A  23
ASP A  25
ALA A  28
ASP A  29
PRO A  81
VAL A  82
 None
 0.72A 3oxxD-3uhlA:
16.2		 3oxxD-3uhlA:
77.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		6 LEU A 355
ALA A  96
ASP A  95
ILE A  69
GLY A   7
VAL A  15
 None
 1.17A 3oxxD-3uw3A:
undetectable		 3oxxD-3uw3A:
14.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.96A 3oxxD-3zpcA:
undetectable		 3oxxD-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.
4axj ETHANOLAMINE
CARBOXYSOME
STRUCTURAL PROTEIN

(Clostridioides
difficile) 		PF00936
(BMC) 		5 ALA A  63
GLY A  70
VAL A  69
VAL A  46
ILE A  10
 None
 1.01A 3oxxD-4axjA:
undetectable		 3oxxD-4axjA:
24.56
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.
4bof ARGININE DEIMINASE

(Streptococcus
pyogenes) 		PF02274
(Amidinotransf) 		5 LEU A  61
GLY A  14
PRO A 405
VAL A  19
ILE A  66
 None
 0.99A 3oxxD-4bofA:
undetectable		 3oxxD-4bofA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bub UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--LD-LYSINE LIGASE

(Thermotoga
maritima) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 426
ALA A 434
ILE A 450
VAL A 395
ILE A 397
 None
 0.92A 3oxxD-4bubA:
undetectable		 3oxxD-4bubA:
12.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d10 COP9 SIGNALOSOME
COMPLEX SUBUNIT 3

(Homo sapiens) 		PF01399
(PCI) 		5 ALA C 127
ASP C 129
GLY C 122
VAL C  81
ILE C  85
 None
 1.02A 3oxxD-4d10C:
undetectable		 3oxxD-4d10C:
13.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e09 PLASMID PARTITIONING
PROTEIN PARF

(Escherichia
coli) 		PF01656
(CbiA) 		5 LEU A   7
ALA A 115
ILE A 154
VAL A 101
ILE A 103
 None
 0.97A 3oxxD-4e09A:
undetectable		 3oxxD-4e09A:
18.91
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.
4fj6 GLYCOSIDE HYDROLASE
FAMILY 33, CANDIDATE
SIALIDASE

(Parabacteroides
distasonis) 		PF13859
(BNR_3)
PF14873
(BNR_assoc_N) 		5 ALA A 284
ILE A 201
GLY A 346
VAL A 234
ILE A 232
 None
 0.99A 3oxxD-4fj6A:
undetectable		 3oxxD-4fj6A:
15.54
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.
4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE

(Escherichia
coli;
Escherichia
virus Qbeta) 		PF00009
(GTP_EFTU)
PF00889
(EF_TS)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2)
PF03431
(RNA_replicase_B) 		5 LEU A 388
ASP A 446
GLY A 411
VAL A 410
ILE A 415
 None
 0.95A 3oxxD-4fwtA:
undetectable		 3oxxD-4fwtA:
6.06
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
 0.91A 3oxxD-4g1gA:
undetectable		 3oxxD-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.
4g3m RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Bacillus
subtilis) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		5 ALA A  54
GLY A  27
VAL A  26
VAL A  95
ILE A  67
 None
 0.93A 3oxxD-4g3mA:
undetectable		 3oxxD-4g3mA:
15.93
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.
4h7u PYRANOSE
DEHYDROGENASE

(Leucoagaricus
meleagris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 291
ALA A 286
GLY A  22
VAL A 246
ILE A 290
 None
FED  A 801 (-3.1A)
FED  A 801 (-3.3A)
None
FED  A 801 (-4.9A)
 0.98A 3oxxD-4h7uA:
undetectable		 3oxxD-4h7uA:
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.
4j0q ELONGATION FACTOR
TU-A

(Pseudomonas
putida) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 LEU A 104
ASP A 162
GLY A 127
VAL A 126
ILE A 131
 None
 1.00A 3oxxD-4j0qA:
undetectable		 3oxxD-4j0qA:
11.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		6 LEU A  69
ASP A  57
ALA A  60
ASP A  80
ILE A  62
VAL A  68
 None
None
None
SAH  A 502 (-2.5A)
None
None
 1.05A 3oxxD-4krgA:
undetectable		 3oxxD-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.
4mes THIAMINE TRANSPORTER
THIT

(Lactococcus
lactis) 		PF09515
(Thia_YuaJ) 		5 LEU A  45
ALA A  21
ILE A  62
GLY A  64
ILE A  44
 None
 1.01A 3oxxD-4mesA:
undetectable		 3oxxD-4mesA:
22.54
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)
 0.41A 3oxxD-4njvA:
20.4		 3oxxD-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.
4pde PROTEIN FDHD

(Escherichia
coli) 		PF02634
(FdhD-NarQ) 		5 ASP A 188
ALA A 194
GLY A 185
PRO A 162
VAL A 163
 None
 1.01A 3oxxD-4pdeA:
undetectable		 3oxxD-4pdeA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pxn UNCHARACTERIZED
PROTEIN

(Zea mays) 		PF00171
(Aldedh) 		5 LEU A 307
ALA A 292
ILE A 455
VAL A 276
ILE A 274
 None
 0.97A 3oxxD-4pxnA:
undetectable		 3oxxD-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.
4qmk TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN EXOU

(Pseudomonas
fluorescens) 		PF01734
(Patatin) 		6 LEU A  35
ALA A 432
ASP A 431
GLY A 454
VAL A  27
ILE A  37
 None
 1.15A 3oxxD-4qmkA:
undetectable		 3oxxD-4qmkA:
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.
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
 1.00A 3oxxD-4r37A:
undetectable		 3oxxD-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.
4xvo L,D-TRANSPEPTIDASE

(Mycolicibacterium
smegmatis) 		PF03734
(YkuD) 		5 ASP A 107
ALA A  91
ASP A  88
ILE A  84
PRO A  63
 None
 0.94A 3oxxD-4xvoA:
undetectable		 3oxxD-4xvoA:
20.60
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)
 0.56A 3oxxD-4ydfA:
13.2		 3oxxD-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.
4zoq INTRACELLULAR SERINE
PROTEASE

(Bacillus
licheniformis) 		PF00082
(Peptidase_S8) 		5 ARG I 319
ALA I 273
GLY I 277
VAL I 424
ILE I 321
 None
 1.00A 3oxxD-4zoqI:
undetectable		 3oxxD-4zoqI:
15.27
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.
4zv4 ELONGATION FACTOR TU

(Pseudomonas
aeruginosa) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 LEU A 104
ASP A 162
GLY A 127
VAL A 126
ILE A 131
 None
 1.00A 3oxxD-4zv4A:
undetectable		 3oxxD-4zv4A:
14.75
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 ALA A  28
ASP A  29
GLY A  49
VAL A  50
PRO A  81
ILE A  84
 None
 1.28A 3oxxD-5b18A:
18.3		 3oxxD-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
ALA A  28
ASP A  29
GLY A  49
PRO A  81
ILE A  84
 None
 1.11A 3oxxD-5b18A:
18.3		 3oxxD-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 3oxxD-5brqA:
undetectable		 3oxxD-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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		5 LEU A  57
ILE A 153
GLY A 156
VAL A 157
VAL A  59
 None
 0.93A 3oxxD-5ix8A:
undetectable		 3oxxD-5ix8A:
13.74
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.
5jbw 3-HYDROXYBUTYRYL-COA
DEHYDRATASE

(Myxococcus
xanthus) 		PF00378
(ECH_1) 		5 LEU A 119
ALA A 190
ILE A  14
VAL A  97
ILE A  99
 None
 0.98A 3oxxD-5jbwA:
undetectable		 3oxxD-5jbwA:
18.29