SIMILAR PATTERNS OF AMINO ACIDS FOR 3UCB_A_017A201_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bou 4,5-DIOXYGENASE BETA
CHAIN

(Sphingomonas
paucimobilis) 		PF02900
(LigB) 		5 LEU B  16
GLY B 274
ILE B 136
GLY B 189
VAL B 131
 None
 1.00A 3ucbA-1bouB:
undetectable		 3ucbA-1bouB:
14.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d7a PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Escherichia
coli) 		PF00731
(AIRC) 		5 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 AIR  A 300 (-3.6A)
AIR  A 300 (-3.5A)
AIR  A 300 (-2.6A)
None
None
 1.02A 3ucbA-1d7aA:
undetectable		 3ucbA-1d7aA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f5j BETA-1,4-XYLANASE

(Dictyoglomus
thermophilum) 		PF00457
(Glyco_hydro_11) 		5 GLY A  82
ILE A  62
GLY A  49
VAL A 153
VAL A 155
 None
 0.75A 3ucbA-1f5jA:
undetectable		 3ucbA-1f5jA:
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.
1fu1 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.82A 3ucbA-1fu1A:
undetectable		 3ucbA-1fu1A:
22.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 LEU A  23
ASP A  25
ALA A  28
PRO A  81
VAL A  82
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.1A)
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
 0.55A 3ucbA-1hvcA:
12.5		 3ucbA-1hvcA:
38.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1hvc HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 A79  A 800 ( 4.0A)
A79  A 800 (-2.8A)
A79  A 800 (-3.0A)
A79  A 800 (-3.2A)
A79  A 800 (-2.7A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.0A)
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
 0.53A 3ucbA-1hvcA:
12.5		 3ucbA-1hvcA:
38.92
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) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
VAL A  82
 A79  A 800 ( 3.8A)
A79  A 800 (-2.7A)
A79  A 800 (-3.0A)
A79  A 800 (-3.1A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.7A)
A79  A 800 (-3.8A)
A79  A 800 (-4.5A)
 0.48A 3ucbA-1hvcA:
12.5		 3ucbA-1hvcA:
38.92
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.
1igo FAMILY 11 XYLANASE

(Bacillus
subtilis) 		PF00457
(Glyco_hydro_11) 		5 GLY A  86
ILE A  66
GLY A  51
VAL A 156
VAL A 158
 None
 0.97A 3ucbA-1igoA:
undetectable		 3ucbA-1igoA:
22.34
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		5 LEU A  89
GLY A  47
GLY A 309
ILE A 311
VAL A  86
 None
None
PLP  A 401 (-3.9A)
None
None
 0.96A 3ucbA-1j0aA:
undetectable		 3ucbA-1j0aA:
15.29
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.
1jyl CTP:PHOSPHOCHOLINE
CYTIDYLYLTRANSFERASE

(Streptococcus
pneumoniae) 		PF00483
(NTP_transferase) 		5 LEU A  30
ALA A 106
ASP A 105
ASN A 108
ILE A  54
 None
CDC  A1991 (-3.6A)
CDC  A1991 ( 4.0A)
None
None
 1.03A 3ucbA-1jylA:
undetectable		 3ucbA-1jylA:
16.39
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) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 None
 0.52A 3ucbA-1sivA:
19.4		 3ucbA-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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 LEU B 315
ALA B 172
GLY B 418
VAL B 350
VAL B 353
 None
 1.04A 3ucbA-1t3qB:
undetectable		 3ucbA-1t3qB:
8.34
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.
1tdj BIOSYNTHETIC
THREONINE DEAMINASE

(Escherichia
coli) 		PF00291
(PALP)
PF00585
(Thr_dehydrat_C) 		5 GLY A  65
ALA A  66
ILE A  83
GLY A  72
VAL A 154
 None
 0.97A 3ucbA-1tdjA:
undetectable		 3ucbA-1tdjA:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 GLY A 244
ALA A 243
ILE A 259
GLY A 250
ILE A 143
 SO4  A 373 (-3.5A)
SO4  A 373 ( 4.2A)
None
None
None
 0.81A 3ucbA-1to6A:
undetectable		 3ucbA-1to6A:
16.30
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT

(Thermotoga
maritima) 		PF01039
(Carboxyl_trans) 		5 LEU A 330
GLY A 364
ILE A 308
GLY A 380
ILE A 376
 None
 0.96A 3ucbA-1vrgA:
undetectable		 3ucbA-1vrgA:
13.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xmp PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Bacillus
anthracis) 		PF00731
(AIRC) 		5 GLY A  66
ALA A  65
ASP A  14
GLY A 117
ILE A 116
 None
 1.01A 3ucbA-1xmpA:
undetectable		 3ucbA-1xmpA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT BETA

(Escherichia
coli) 		PF02233
(PNTB) 		5 GLY C 113
ALA C 114
ILE C  35
VAL C 138
VAL C 118
 NAP  C1001 (-3.5A)
NAP  C1001 (-4.3A)
None
None
None
 0.91A 3ucbA-2bruC:
undetectable		 3ucbA-2bruC:
21.93
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.
2bs9 BETA-XYLOSIDASE

(Geobacillus
stearothermophilus) 		PF01229
(Glyco_hydro_39) 		5 ALA A 296
ASN A 473
ILE A 302
VAL A 382
VAL A 475
 None
 1.07A 3ucbA-2bs9A:
undetectable		 3ucbA-2bs9A:
13.68
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.
2d5m FLAVOREDOXIN

(Desulfovibrio
vulgaris) 		PF01613
(Flavin_Reduct) 		5 GLY A  64
ALA A  65
GLY A 136
ILE A 123
VAL A 106
 None
 0.90A 3ucbA-2d5mA:
undetectable		 3ucbA-2d5mA:
19.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE

(Equine
infectious
anemia virus) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  55
PRO A  86
VAL A  87
 None
LP1  A 201 (-2.3A)
LP1  A 201 (-3.8A)
LP1  A 201 (-3.5A)
LP1  A 201 (-3.6A)
LP1  A 201 (-3.4A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
 0.40A 3ucbA-2fmbA:
16.0		 3ucbA-2fmbA:
32.69
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.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		5 LEU A 111
ASP A  70
ILE A  22
VAL A 106
VAL A 108
 None
 0.97A 3ucbA-2gu0A:
undetectable		 3ucbA-2gu0A:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 LEU A 337
ALA A 251
ASN A 254
ILE A 175
VAL A 334
 None
 1.05A 3ucbA-2hruA:
undetectable		 3ucbA-2hruA:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kvp TALIN-1

(Mus musculus) 		PF08913
(VBS) 		5 LEU A1923
GLY A1894
ALA A1897
VAL A1964
VAL A1920
 None
 0.88A 3ucbA-2kvpA:
undetectable		 3ucbA-2kvpA:
18.93
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.
2nxg 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Aquifex
aeolicus) 		PF00793
(DAHP_synth_1) 		5 GLY A1144
ALA A1115
ILE A1098
VAL A1123
VAL A1121
 None
 0.97A 3ucbA-2nxgA:
undetectable		 3ucbA-2nxgA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oby PUTATIVE QUINONE
OXIDOREDUCTASE

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 145
GLY A 189
ALA A 188
ILE A 167
GLY A 185
 None
 0.99A 3ucbA-2obyA:
undetectable		 3ucbA-2obyA:
15.77
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		5 LEU A  38
GLY A 224
ILE A 282
VAL A  13
VAL A  15
 None
 1.05A 3ucbA-2p4zA:
undetectable		 3ucbA-2p4zA:
15.77
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.
2rir DIPICOLINATE
SYNTHASE, A CHAIN

(Bacillus
subtilis) 		PF01262
(AlaDh_PNT_C)
PF16924
(DpaA_N) 		5 GLY A 177
ALA A 178
ILE A 215
VAL A 159
VAL A 157
 None
 1.05A 3ucbA-2rirA:
undetectable		 3ucbA-2rirA:
16.61
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 None
AB1  A 501 (-2.4A)
AB1  A 501 (-3.9A)
AB1  A 501 (-3.5A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-4.5A)
AB1  A 501 (-3.5A)
AB1  A 501 (-3.8A)
AB1  A 501 (-4.2A)
 0.38A 3ucbA-2rkfA:
19.2		 3ucbA-2rkfA:
76.77
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  44
 None
 0.27A 3ucbA-2rspA:
12.9		 3ucbA-2rspA:
30.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3afg SUBTILISIN-LIKE
SERINE PROTEASE

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		6 GLY A 271
ALA A 270
ASP A 269
ASN A 266
ILE A  68
VAL A 233
 None
 1.31A 3ucbA-3afgA:
undetectable		 3ucbA-3afgA:
13.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		5 GLY A 327
ALA A 329
GLY A 274
ILE A 271
VAL A 693
 None
 0.79A 3ucbA-3aqpA:
undetectable		 3ucbA-3aqpA:
9.51
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.
3czp PUTATIVE
POLYPHOSPHATE KINASE
2

(Pseudomonas
aeruginosa) 		PF03976
(PPK2) 		5 LEU A 481
GLY A 313
ALA A 314
ILE A 329
VAL A 480
 None
 1.04A 3ucbA-3czpA:
undetectable		 3ucbA-3czpA:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpc NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Entamoeba
histolytica;
Thermoanaerobacter
brockii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 155
ASN A 264
GLY A 174
ILE A 175
VAL A 170
 None
 0.85A 3ucbA-3fpcA:
undetectable		 3ucbA-3fpcA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 263
ALA A 262
ILE A 325
ILE A 342
VAL A 324
 NAD  A 601 (-3.6A)
NAD  A 601 ( 4.8A)
None
NAD  A 601 (-4.3A)
NAD  A 601 ( 4.5A)
 0.91A 3ucbA-3glqA:
undetectable		 3ucbA-3glqA:
12.37
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.
3h5l PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Ruegeria
pomeroyi) 		PF13458
(Peripla_BP_6) 		5 GLY A 282
ALA A 283
ILE A 411
ILE A 291
VAL A 299
 None
 0.96A 3ucbA-3h5lA:
undetectable		 3ucbA-3h5lA:
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.
3il4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Enterococcus
faecalis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 ALA A  64
ILE A  81
GLY A 168
VAL A  95
VAL A  99
 None
 1.05A 3ucbA-3il4A:
undetectable		 3ucbA-3il4A:
15.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jyo QUINATE/SHIKIMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF08501
(Shikimate_dh_N) 		5 GLY A 106
ASN A  94
GLY A  65
ILE A  98
VAL A  76
 None
 0.98A 3ucbA-3jyoA:
undetectable		 3ucbA-3jyoA:
18.73
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.
3k8z NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 243
ALA A 244
ILE A 297
VAL A 225
VAL A 223
 None
 1.05A 3ucbA-3k8zA:
undetectable		 3ucbA-3k8zA:
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.
3kke LACI FAMILY
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13377
(Peripla_BP_3) 		5 LEU A 263
GLY A 257
ALA A 258
GLY A 277
VAL A 269
 None
 1.05A 3ucbA-3kkeA:
undetectable		 3ucbA-3kkeA:
17.08
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.
3kke LACI FAMILY
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13377
(Peripla_BP_3) 		5 LEU A 330
ASP A 160
ILE A 278
GLY A 198
VAL A 294
 None
 0.80A 3ucbA-3kkeA:
undetectable		 3ucbA-3kkeA:
17.08
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.
3knu TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE

(Anaplasma
phagocytophilum) 		PF01746
(tRNA_m1G_MT) 		5 GLY A  23
ILE A 159
ILE A 148
VAL A 155
VAL A 158
 None
 0.93A 3ucbA-3knuA:
undetectable		 3ucbA-3knuA:
19.91
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.
3kzw CYTOSOL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		5 GLY A 285
ALA A 286
ILE A 199
GLY A 291
ILE A 292
 None
 1.02A 3ucbA-3kzwA:
undetectable		 3ucbA-3kzwA:
12.64
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.
3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Mycobacterium
tuberculosis) 		PF00731
(AIRC) 		5 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.98A 3ucbA-3lp6A:
undetectable		 3ucbA-3lp6A:
20.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  82
 None
 0.38A 3ucbA-3mwsA:
20.3		 3ucbA-3mwsA:
70.71
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.
3nek NITROGEN
REPRESSOR-LIKE
PROTEIN MJ0159

(Methanocaldococcus
jannaschii) 		PF01995
(DUF128) 		5 GLY A 457
ALA A 456
GLY A 480
ILE A 376
PRO A 511
 GOL  A   1 ( 4.7A)
None
None
None
None
 1.00A 3ucbA-3nekA:
undetectable		 3ucbA-3nekA:
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.
3noy 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE

(Aquifex
aeolicus) 		PF04551
(GcpE) 		5 LEU A 198
GLY A 201
ILE A  23
GLY A 220
ILE A 221
 None
 0.85A 3ucbA-3noyA:
undetectable		 3ucbA-3noyA:
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.
3oec CARVEOL
DEHYDROGENASE
(MYTHA.01326.C,
A0R518 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF13561
(adh_short_C2) 		5 GLY A 147
ALA A 148
GLY A 122
ILE A 123
VAL A 193
 None
 0.92A 3ucbA-3oecA:
undetectable		 3ucbA-3oecA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opq PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE,CATALYTI
C SUBUNIT

(Francisella
tularensis) 		PF00731
(AIRC) 		5 GLY A  66
ALA A  65
ASP A  14
GLY A 117
ILE A 116
 PO4  A 164 (-3.7A)
PO4  A 164 (-3.3A)
PO4  A 164 (-2.8A)
FMT  A 166 (-3.3A)
None
 1.00A 3ucbA-3opqA:
undetectable		 3ucbA-3opqA:
21.15
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.
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)
 0.28A 3ucbA-3slzA:
12.2		 3ucbA-3slzA:
26.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		9 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
VAL A  84
 SO4  A 101 (-4.2A)
017  A 201 (-2.6A)
017  A 201 (-3.4A)
017  A 201 (-3.5A)
017  A 201 (-3.5A)
017  A 201 (-4.0A)
017  A 201 (-3.3A)
None
None
 0.51A 3ucbA-3t3cA:
19.8		 3ucbA-3t3cA:
69.70
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.
3trh PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CARBOXYLTRANSFERASE
SUBUNIT

(Coxiella
burnetii) 		PF00731
(AIRC) 		5 GLY A  67
ALA A  66
ASP A  15
GLY A 118
ILE A 117
 None
 1.02A 3ucbA-3trhA:
undetectable		 3ucbA-3trhA:
21.08
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 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 None
017  A 201 (-2.6A)
017  A 201 (-3.6A)
017  A 201 (-3.4A)
017  A 201 (-3.3A)
None
017  A 201 (-3.0A)
017  A 201 (-3.3A)
017  A 201 (-4.1A)
 0.28A 3ucbA-3ttpA:
20.0		 3ucbA-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 LEU A  23
ASP A  25
ALA A  28
ASP A  30
GLY A  49
PRO A  81
 None
017  A 202 ( 2.5A)
017  A 201 (-3.4A)
017  A 201 ( 4.0A)
017  A 202 (-2.9A)
017  A 202 (-4.0A)
 1.30A 3ucbA-3u7sA:
19.5		 3ucbA-3u7sA:
80.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3u7s POL POLYPROTEIN

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
GLY A  49
ILE A  50
PRO A  81
VAL A  84
 None
017  A 202 ( 2.5A)
017  A 201 ( 3.5A)
017  A 201 (-3.4A)
017  A 201 (-3.2A)
None
017  A 202 (-2.9A)
017  A 201 ( 3.5A)
017  A 202 (-4.0A)
None
 0.40A 3ucbA-3u7sA:
19.5		 3ucbA-3u7sA:
80.81
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) 		10 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ASN A  30
ILE A  32
PRO A  81
VAL A  82
VAL A  84
 None
 0.35A 3ucbA-3uhlA:
17.4		 3ucbA-3uhlA:
100.00
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.
3w03 DNA REPAIR PROTEIN
XRCC4

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU C 126
ALA C  42
GLY C  45
ILE C  34
VAL C 122
 None
 0.82A 3ucbA-3w03C:
undetectable		 3ucbA-3w03C:
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.
3wzd VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 GLY A 837
ALA A 851
ASP A 852
ILE A 915
VAL A 867
 None
None
DTT  A1203 (-2.9A)
None
None
 1.01A 3ucbA-3wzdA:
undetectable		 3ucbA-3wzdA:
15.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g1u HEMIN TRANSPORT
SYSTEM PERMEASE
PROTEIN HMUU

(Yersinia pestis) 		PF01032
(FecCD) 		5 GLY A 126
ALA A  96
GLY A 101
ILE A 103
VAL A 251
 None
 1.05A 3ucbA-4g1uA:
undetectable		 3ucbA-4g1uA:
14.83
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.
4grd PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT

(Burkholderia
cenocepacia) 		PF00731
(AIRC) 		5 GLY A  77
ALA A  76
ASP A  25
GLY A 128
ILE A 127
 None
 0.99A 3ucbA-4grdA:
undetectable		 3ucbA-4grdA:
20.47
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.
4ida RIPENING-INDUCED
PROTEIN

(Fragaria vesca) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 LEU A 203
GLY A 208
ALA A 209
ASP A 210
ILE A 179
 None
 0.83A 3ucbA-4idaA:
undetectable		 3ucbA-4idaA:
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.
4mf4 HPCH/HPAI
ALDOLASE/CITRATE
LYASE FAMILY PROTEIN

(Burkholderia
cenocepacia) 		PF03328
(HpcH_HpaI) 		5 LEU A  96
GLY A  92
ILE A  45
VAL A  77
VAL A  75
 None
 0.93A 3ucbA-4mf4A:
undetectable		 3ucbA-4mf4A:
16.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
RIT  A 500 (-2.4A)
RIT  A 500 (-3.9A)
RIT  A 500 (-3.6A)
RIT  A 500 (-3.2A)
RIT  A 500 (-3.4A)
RIT  A 500 (-4.3A)
RIT  A 500 (-3.9A)
 0.53A 3ucbA-4njvA:
18.6		 3ucbA-4njvA:
79.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pxq D-GLUCURONYL C5
EPIMERASE B

(Danio rerio) 		PF06662
(C5-epim_C) 		5 LEU A 322
ASP A 325
GLY A 308
ILE A 309
VAL A 276
 None
 1.07A 3ucbA-4pxqA:
undetectable		 3ucbA-4pxqA:
10.84
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.
4q9d BENZOYLFORMATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 322
GLY A 215
ALA A 214
VAL A 273
VAL A 318
 None
 0.67A 3ucbA-4q9dA:
undetectable		 3ucbA-4q9dA:
12.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgh PROTEIN DDI1 HOMOLOG
2

(Homo sapiens) 		PF09668
(Asp_protease) 		5 ASP A 220
GLY A 222
ALA A 223
ILE A 227
GLY A 252
 None
 0.90A 3ucbA-4rghA:
10.3		 3ucbA-4rghA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ry8 PERIPLASMIC BINDING
PROTEIN

(Pseudothermotoga
lettingae) 		PF13407
(Peripla_BP_4) 		5 GLY A 230
ALA A 231
ILE A 159
GLY A 193
VAL A 220
 None
 1.00A 3ucbA-4ry8A:
undetectable		 3ucbA-4ry8A:
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.
4w6z ALCOHOL
DEHYDROGENASE 1

(Saccharomyces
cerevisiae) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 177
ALA A 178
ILE A 213
GLY A 339
VAL A 187
 8ID  A 403 (-3.3A)
None
None
None
None
 1.03A 3ucbA-4w6zA:
undetectable		 3ucbA-4w6zA:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x0q DNA POLYMERASE THETA

(Homo sapiens) 		PF00476
(DNA_pol_A) 		5 ALA A2329
ASP A2330
ILE A2326
VAL A2554
VAL A2558
 None
MG  A2603 ( 2.3A)
None
None
None
 1.07A 3ucbA-4x0qA:
undetectable		 3ucbA-4x0qA:
9.73
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.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		5 LEU A 211
ASP A  95
GLY A  71
ILE A  74
VAL A 213
 None
 0.83A 3ucbA-4y0wA:
undetectable		 3ucbA-4y0wA:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0w YEAZ

(Pseudomonas
aeruginosa) 		PF00814
(Peptidase_M22) 		5 LEU A 211
GLY A  63
GLY A  71
ILE A  74
VAL A 213
 None
 0.98A 3ucbA-4y0wA:
undetectable		 3ucbA-4y0wA:
16.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ydf HTLV-1 PROTEASE

(Primate
T-lymphotropic
virus 1) 		PF00077
(RVP) 		6 LEU A  30
ASP A  32
GLY A  34
ALA A  35
ASP A  36
GLY A  58
 None
4B1  A 201 (-2.9A)
4B1  A 201 ( 4.6A)
4B1  A 201 (-3.6A)
4B1  A 201 (-4.4A)
4B1  A 201 (-3.4A)
 0.40A 3ucbA-4ydfA:
13.1		 3ucbA-4ydfA:
34.96
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.
4zqg 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Moraxella
catarrhalis) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 LEU A 137
GLY A 118
ALA A 117
ILE A  89
VAL A 138
 None
 0.76A 3ucbA-4zqgA:
undetectable		 3ucbA-4zqgA:
15.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5b18 PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		5 GLY A  27
ALA A  28
ASP A  29
ILE A  32
PRO A  81
 None
 0.38A 3ucbA-5b18A:
18.3		 3ucbA-5b18A:
73.74
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.
5b3g PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		5 GLY B 335
ASN B 295
GLY B 363
ILE B 364
VAL B 291
 None
 0.96A 3ucbA-5b3gB:
undetectable		 3ucbA-5b3gB:
11.82
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.
5cj4 XRCC4-MYH7-(1562-162
2) CHIMERA PROTEIN

(Homo sapiens) 		PF06632
(XRCC4) 		5 LEU A 126
ALA A  42
GLY A  45
ILE A  34
VAL A 122
 None
 0.85A 3ucbA-5cj4A:
undetectable		 3ucbA-5cj4A:
23.32
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.
5cwa ANTHRANILATE
SYNTHASE COMPONENT 1

(Mycobacterium
tuberculosis) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 LEU A 125
ASP A 447
GLY A 450
ALA A 449
ASP A 115
 None
 1.04A 3ucbA-5cwaA:
undetectable		 3ucbA-5cwaA:
11.53
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.
5doo PROTEIN LYSINE
METHYLTRANSFERASE 2

(Rickettsia
typhi) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		5 LEU A  75
ASP A  74
GLY A  53
ASP A  49
GLY A 119
 None
 1.04A 3ucbA-5dooA:
undetectable		 3ucbA-5dooA:
9.79
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.
5eid ANKYRIN REPEAT
DOMAIN-CONTAINING
PROTEIN 2

(Arabidopsis
thaliana) 		PF13637
(Ank_4) 		5 LEU A 335
ALA A 292
ASN A 327
GLY A 260
VAL A 332
 None
 0.93A 3ucbA-5eidA:
undetectable		 3ucbA-5eidA:
21.02
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.
5gpq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,APOPTOSIS-AS
SOCIATED SPECK-LIKE
PROTEIN CONTAINING A
CARD

(Danio rerio;
Escherichia
coli) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 GLY A 435
ALA A 434
ILE A 405
ILE A 378
VAL A 404
 None
 0.91A 3ucbA-5gpqA:
undetectable		 3ucbA-5gpqA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h67 CHROMOSOME PARTITION
PROTEIN SMC

(Bacillus
subtilis) 		PF02463
(SMC_N) 		5 ALA A  43
ASP A  42
ASN A  39
ILE B1145
VAL A   8
 None
None
ATP  A1001 (-3.4A)
None
None
 1.06A 3ucbA-5h67A:
undetectable		 3ucbA-5h67A:
18.27
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.
5hci GPN-LOOP GTPASE 1

(Saccharomyces
cerevisiae) 		PF03029
(ATP_bind_1) 		6 ASP A  40
GLY A 109
GLY A  15
PRO A  47
VAL A  46
VAL A  43
 None
GDP  A 301 ( 4.4A)
GDP  A 301 (-3.0A)
None
None
None
 1.40A 3ucbA-5hciA:
undetectable		 3ucbA-5hciA:
17.86
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
 0.88A 3ucbA-5hs0A:
undetectable		 3ucbA-5hs0A:
19.87
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.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		5 GLY A 220
ALA A 171
ILE A 215
GLY A 206
ILE A 205
 None
 0.82A 3ucbA-5ldnA:
undetectable		 3ucbA-5ldnA:
8.22
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.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 5 LEU A 783
ALA A 767
ASP A 768
VAL A 841
VAL A 843
 None
 1.00A 3ucbA-5nbsA:
undetectable		 3ucbA-5nbsA:
19.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1) 		PF00077
(RVP) 		8 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
GLY A  49
ILE A  50
PRO A  81
 None
 0.34A 3ucbA-5t2zA:
19.5		 3ucbA-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.
5tem 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
REDUCTASE

(Vibrio
vulnificus) 		no annotation 5 ASP C 200
ASP C 148
ILE C 202
GLY C 144
VAL C 185
 None
 1.05A 3ucbA-5temC:
undetectable		 3ucbA-5temC:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ttk AMINE OXIDASE

(Pseudomonas
putida) 		PF01593
(Amino_oxidase) 		5 LEU A 449
ALA A  68
GLY A  73
VAL A 303
VAL A 305
 None
 0.80A 3ucbA-5ttkA:
undetectable		 3ucbA-5ttkA:
13.97
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.
5w1a MYOSIN HEAVY CHAIN,
MUSCLE

(Drosophila
melanogaster) 		no annotation 5 ALA A 260
ASP A 261
GLY A 457
ILE A 456
VAL A 219
 None
 1.02A 3ucbA-5w1aA:
undetectable		 3ucbA-5w1aA:
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.
5y0m -

(-) 		no annotation 5 GLY A 180
ALA A 181
ILE A 269
ILE A  60
VAL A 217
 None
 1.04A 3ucbA-5y0mA:
undetectable		 3ucbA-5y0mA:
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.
5ygu DIAMINOPIMELATE
EPIMERASE

(Escherichia
coli) 		no annotation 5 GLY A 218
ALA A 221
ILE A 202
GLY A 192
VAL A 240
 IOD  A 308 ( 3.7A)
None
None
None
None
 1.05A 3ucbA-5yguA:
undetectable		 3ucbA-5yguA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yid PLASMEPSIN II

(Plasmodium
falciparum) 		no annotation 5 GLY A 283
ILE A 239
PRO A 242
VAL A 241
VAL A 248
 None
 0.95A 3ucbA-5yidA:
7.5		 3ucbA-5yidA:
27.78
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.
6arr ACETYL-COA
ACETYLTRANSFERASE

(Aspergillus
fumigatus) 		no annotation 5 GLY A  22
ASP A 257
ILE A 206
VAL A 217
VAL A 219
 None
 1.01A 3ucbA-6arrA:
undetectable		 3ucbA-6arrA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bk5 UBIQUITIN LIGASE CBL

(Salpingoeca
rosetta) 		no annotation 5 LEU A 242
ASP A 336
ASN A 340
PRO A 247
VAL A 241
 None
 1.04A 3ucbA-6bk5A:
undetectable		 3ucbA-6bk5A:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eo5 PPBBE-LIKE 1 D396N

(Physcomitrella
patens) 		no annotation 5 GLY A 184
ASP A 198
ASN A 199
ILE A 167
GLY A 187
 None
 0.97A 3ucbA-6eo5A:
undetectable		 3ucbA-6eo5A:
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) 		7 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ASP A  34
ILE A  37
GLY A  58
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 (-3.9A)
3TL  A 201 ( 4.8A)
3TL  A 201 (-3.4A)
 0.31A 3ucbA-6fivA:
16.0		 3ucbA-6fivA:
32.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fiv RETROPEPSIN

(Feline
immunodeficiency
virus) 		PF00077
(RVP) 		6 LEU A  28
ASP A  30
GLY A  32
ALA A  33
ILE A  37
VAL A  99
 None
3TL  A 201 (-3.5A)
3TL  A 201 (-3.4A)
3TL  A 201 (-4.0A)
3TL  A 201 ( 4.8A)
None
 0.64A 3ucbA-6fivA:
16.0		 3ucbA-6fivA:
32.46
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
ILE A  32
GLY A  49
ILE A  50
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
 0.86A 3ucbA-6upjA:
18.3		 3ucbA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		7 LEU A  23
ASP A  25
GLY A  27
ALA A  28
ASP A  29
ILE A  32
ILE A  50
 None
NIU  A 100 (-2.8A)
NIU  A 100 (-4.5A)
NIU  A 100 (-3.6A)
None
None
NIU  A 100 (-3.9A)
 0.71A 3ucbA-6upjA:
18.3		 3ucbA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		6 LEU A  23
ASP A  25
ILE A  32
GLY A  49
ILE A  50
PRO A  81
 None
NIU  A 100 (-2.8A)
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 0.76A 3ucbA-6upjA:
18.3		 3ucbA-6upjA:
49.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6upj HIV-2 PROTEASE

(Human
immunodeficiency
virus 2) 		PF00077
(RVP) 		5 LEU A  23
ASP A  30
GLY A  49
ILE A  50
PRO A  81
 None
None
NIU  A 100 ( 3.8A)
NIU  A 100 (-3.9A)
None
 1.05A 3ucbA-6upjA:
18.3		 3ucbA-6upjA:
49.49