SIMILAR PATTERNS OF AMINO ACIDS FOR 4Q5M_A_ROCA1101_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.
1agx GLUTAMINASE-ASPARAGI
NASE


(Acinetobacter
glutaminasificans)
PF00710
(Asparaginase)
5 GLY A  51
ILE A  13
ILE A  88
VAL A  74
ILE A 112
None
0.88A 4q5mA-1agxA:
undetectable
4q5mA-1agxA:
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.
1guz MALATE DEHYDROGENASE

(Chlorobaculum
tepidum;
Prosthecochloris
vibrioformis)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
5 GLY A 141
ILE A  74
THR A 102
ILE A   3
THR A  15
None
1.03A 4q5mA-1guzA:
undetectable
4q5mA-1guzA:
23.38
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 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
PRO A  81
VAL A  82
ARG A   8
VAL A  32
ILE A  47
THR A  80
A79  A 800 (-3.0A)
A79  A 800 (-2.7A)
A79  A 800 ( 3.4A)
A79  A 800 ( 4.0A)
None
A79  A 800 ( 3.4A)
A79  A 800 (-4.5A)
A79  A 800 (-3.4A)
A79  A 800 ( 4.4A)
A79  A 800 ( 3.2A)
None
0.53A 4q5mA-1hvcA:
33.5
4q5mA-1hvcA:
95.57
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 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
PRO A  81
VAL A  82
ARG A   8
VAL A  32
ILE A  47
THR A  80
A79  A 800 (-3.0A)
A79  A 800 (-2.8A)
A79  A 800 ( 3.2A)
A79  A 800 (-3.8A)
None
A79  A 800 ( 3.9A)
A79  A 800 (-4.5A)
A79  A 800 (-3.6A)
A79  A 800 ( 4.3A)
A79  A 800 ( 3.4A)
None
0.62A 4q5mA-1hvcA:
33.5
4q5mA-1hvcA:
95.57
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.
1l1j HEAT SHOCK PROTEASE
HTRA


(Thermotoga
maritima)
PF13365
(Trypsin_2)
5 GLY A 207
ASP A 127
ILE A 131
VAL A 107
ILE A 133
None
0.98A 4q5mA-1l1jA:
undetectable
4q5mA-1l1jA:
24.19
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.
1mpo MALTOPORIN

(Escherichia
coli)
PF02264
(LamB)
5 GLY A 190
ASP A 173
THR A 236
ARG A 175
ILE A 272
None
0.98A 4q5mA-1mpoA:
undetectable
4q5mA-1mpoA:
17.92
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.
1muu GDP-MANNOSE
6-DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N)
5 GLY A  12
ILE A  27
ILE A  82
VAL A  31
ILE A  99
None
None
None
NAD  A1001 (-4.4A)
None
1.01A 4q5mA-1muuA:
undetectable
4q5mA-1muuA:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nbw GLYCEROL DEHYDRATASE
REACTIVASE ALPHA
SUBUNIT


(Klebsiella
pneumoniae)
PF08841
(DDR)
5 GLY A 170
ASP A 168
ILE A 164
VAL A 201
ILE A 134
None
0.90A 4q5mA-1nbwA:
undetectable
4q5mA-1nbwA:
18.20
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.
1o4z BETA-AGARASE B

(Zobellia
galactanivorans)
PF00722
(Glyco_hydro_16)
6 GLY A 248
ILE A  63
ILE A 347
VAL A 342
VAL A 153
ILE A  80
None
1.49A 4q5mA-1o4zA:
undetectable
4q5mA-1o4zA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q9j POLYKETIDE SYNTHASE
ASSOCIATED PROTEIN 5


(Mycobacterium
tuberculosis)
PF00668
(Condensation)
PF16911
(PapA_C)
5 GLY A 114
ILE A  28
THR A 355
PRO A 356
ARG A 112
None
1.02A 4q5mA-1q9jA:
undetectable
4q5mA-1q9jA:
19.86
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.
1qso HPA2 HISTONE
ACETYLTRANSFERASE


(Saccharomyces
cerevisiae)
PF00583
(Acetyltransf_1)
5 ASP A  18
ILE A  73
ARG A  12
VAL A 112
ILE A  90
None
1.01A 4q5mA-1qsoA:
undetectable
4q5mA-1qsoA:
23.58
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.
1siv SIV PROTEASE

(Simian
immunodeficiency
virus)
PF00077
(RVP)
5 GLY A  27
ASP A  29
ILE A  50
THR A  80
PRO A  81
None
0.37A 4q5mA-1sivA:
15.6
4q5mA-1sivA:
28.08
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.
1wdw TRYPTOPHAN SYNTHASE
ALPHA CHAIN
TRYPTOPHAN SYNTHASE
BETA CHAIN 1


(Pyrococcus
furiosus)
PF00290
(Trp_syntA)
PF00291
(PALP)
5 GLY B 276
ILE B 289
VAL B 271
VAL A 114
ILE A  92
None
0.92A 4q5mA-1wdwB:
undetectable
4q5mA-1wdwB:
22.25
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.)
PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5)
5 GLY A 860
ASN A 353
ILE A 800
VAL A 798
ILE A 822
None
1.04A 4q5mA-1xc6A:
undetectable
4q5mA-1xc6A:
11.49
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1


(Mus musculus)
PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin)
5 GLY A 217
ILE A 237
PRO A 285
ILE A 226
THR A 206
None
1.04A 4q5mA-1xhbA:
undetectable
4q5mA-1xhbA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yzf LIPASE/ACYLHYDROLASE

(Enterococcus
faecalis)
PF13472
(Lipase_GDSL_2)
5 ASP A  79
ILE A 128
ILE A 110
VAL A  72
ILE A 182
None
1.01A 4q5mA-1yzfA:
undetectable
4q5mA-1yzfA:
23.42
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.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3


(Saccharomyces
cerevisiae)
PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3)
5 ASP A 146
ILE A 142
THR A 240
VAL A 234
THR A  58
None
NAG  A2002 ( 4.8A)
None
None
MAN  A3008 ( 4.5A)
0.87A 4q5mA-1zpuA:
undetectable
4q5mA-1zpuA:
15.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zuw GLUTAMATE RACEMASE 1

(Bacillus
subtilis)
PF01177
(Asp_Glu_race)
5 ASP A 163
ILE A 165
ARG A 197
VAL A 203
ILE A 178
None
0.94A 4q5mA-1zuwA:
undetectable
4q5mA-1zuwA:
24.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a4a DEOXYRIBOSE-PHOSPHAT
E ALDOLASE


(Plasmodium
yoelii)
PF01791
(DeoC)
5 GLY A  82
ILE A 144
VAL A 162
ILE A 170
THR A 158
None
1.01A 4q5mA-2a4aA:
undetectable
4q5mA-2a4aA:
20.83
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.
2acv TRITERPENE
UDP-GLUCOSYL
TRANSFERASE UGT71G1


(Medicago
truncatula)
PF00201
(UDPGT)
5 GLY A 178
ASN A 181
PRO A 189
VAL A 217
THR A 219
None
1.03A 4q5mA-2acvA:
undetectable
4q5mA-2acvA:
22.56
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT


(Chlamydia
trachomatis)
PF00268
(Ribonuc_red_sm)
5 GLY A 279
ASP A  73
VAL A 202
ARG A 278
ILE A 269
None
0.90A 4q5mA-2aniA:
undetectable
4q5mA-2aniA:
22.48
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.
2ani RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
BETA SUBUNIT


(Chlamydia
trachomatis)
PF00268
(Ribonuc_red_sm)
5 GLY A 279
ASP A  73
VAL A 202
ARG A 278
ILE A 289
None
0.92A 4q5mA-2aniA:
undetectable
4q5mA-2aniA:
22.48
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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT
NAPHTHALENE
DIOXYGENASE SMALL
SUBUNIT


(Rhodococcus sp.
NCIMB 12038)
PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A)
PF00866
(Ring_hydroxyl_B)
5 GLY B 643
ILE B 670
VAL B 567
ILE A 364
THR B 672
None
1.00A 4q5mA-2b24B:
undetectable
4q5mA-2b24B:
20.81
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.
2b6n PROTEINASE K

(Serratia sp.
GF96)
PF00082
(Peptidase_S8)
5 GLY A 181
ILE A  13
THR A  76
VAL A  73
THR A 249
None
1.00A 4q5mA-2b6nA:
undetectable
4q5mA-2b6nA:
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.
2e28 PYRUVATE KINASE

(Geobacillus
stearothermophilus)
PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C)
5 GLY A 536
ILE A 531
THR A 561
VAL A 545
ILE A 525
None
0.88A 4q5mA-2e28A:
undetectable
4q5mA-2e28A:
18.35
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.
2fmb EQUINE INFECTIOUS
ANEMIA VIRUS
PROTEASE


(Equine
infectious
anemia virus)
PF00077
(RVP)
5 GLY A  27
ASP A  29
ILE A  53
PRO A  86
VAL A  87
LP1  A 201 (-3.8A)
LP1  A 201 (-3.6A)
LP1  A 201 (-4.6A)
LP1  A 201 (-3.9A)
LP1  A 201 ( 4.9A)
0.62A 4q5mA-2fmbA:
12.7
4q5mA-2fmbA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gz6 N-ACETYL-D-GLUCOSAMI
NE 2-EPIMERASE


(Anabaena sp.
CH1)
PF07221
(GlcNAc_2-epim)
6 GLY A 316
ILE A 270
ILE A 247
ARG A 322
ILE A 250
THR A 259
None
1.40A 4q5mA-2gz6A:
undetectable
4q5mA-2gz6A:
19.70
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.
2iyo 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING


(Lactococcus
lactis)
PF00393
(6PGD)
PF03446
(NAD_binding_2)
5 GLY A 180
ASN A 102
ILE A  98
THR A  80
ILE A  96
None
6PG  A1471 (-2.9A)
None
None
None
1.03A 4q5mA-2iyoA:
undetectable
4q5mA-2iyoA:
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.
2k3y CHROMATIN
MODIFICATION-RELATED
PROTEIN EAF3


(Saccharomyces
cerevisiae)
PF11717
(Tudor-knot)
5 GLY A  83
ILE A  79
PRO A  46
VAL A  14
ILE A  27
None
1.01A 4q5mA-2k3yA:
undetectable
4q5mA-2k3yA:
18.84
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA


(-)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ASN A 293
ILE A 262
VAL A 247
VAL A 315
ILE A 274
None
1.01A 4q5mA-2qgyA:
undetectable
4q5mA-2qgyA:
19.04
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA


(-)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 GLY A 294
ASN A 265
ILE A 286
VAL A 247
ILE A 283
None
1.02A 4q5mA-2qgyA:
undetectable
4q5mA-2qgyA:
19.04
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.
2r1d NEUREXIN-1-BETA

(Rattus
norvegicus)
PF02210
(Laminin_G_2)
5 GLY A  70
ILE A 169
VAL A 104
VAL A 192
ILE A 167
None
0.95A 4q5mA-2r1dA:
undetectable
4q5mA-2r1dA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2raq CONSERVED PROTEIN
MTH889


(Methanothermobacter
thermautotrophicus)
PF02680
(DUF211)
5 ASP A  59
ASN A  58
ILE A   7
VAL A  37
ILE A  76
None
0.99A 4q5mA-2raqA:
undetectable
4q5mA-2raqA:
18.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2rkf PROTEASE RETROPEPSIN

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 GLY A  27
ASP A  29
ILE A  50
THR A  80
PRO A  81
AB1  A 501 (-3.9A)
AB1  A 501 ( 3.3A)
AB1  A 501 (-3.8A)
None
AB1  A 501 (-4.2A)
0.40A 4q5mA-2rkfA:
18.1
4q5mA-2rkfA:
42.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8z 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING


(Geobacillus
stearothermophilus)
PF00393
(6PGD)
PF03446
(NAD_binding_2)
5 GLY A 178
ASN A 102
ILE A  98
THR A  80
ILE A  96
None
6PG  A1470 (-3.1A)
None
None
None
1.01A 4q5mA-2w8zA:
undetectable
4q5mA-2w8zA:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xb6 NEUREXIN-1-BETA

(Rattus
norvegicus)
PF02210
(Laminin_G_2)
5 GLY C 116
ILE C 245
VAL C 150
VAL C 268
ILE C 243
EDO  C1295 ( 4.6A)
None
None
None
None
1.01A 4q5mA-2xb6C:
undetectable
4q5mA-2xb6C:
24.31
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.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF00171
(Aldedh)
5 ASP A 399
ILE A 395
VAL A 420
ARG A 296
THR A 375
None
0.92A 4q5mA-2xdrA:
undetectable
4q5mA-2xdrA:
19.15
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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT


(Methanosarcina
mazei)
PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7)
5 ILE A 104
ILE A 148
PRO A  98
VAL A 274
THR A 144
None
1.00A 4q5mA-2xr1A:
undetectable
4q5mA-2xr1A:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfq NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE


(Peptoniphilus
asaccharolyticus)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
5 ILE A 339
PRO A 298
VAL A 297
VAL A 403
ILE A 345
None
1.03A 4q5mA-2yfqA:
undetectable
4q5mA-2yfqA:
19.82
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.
2zyg 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING


(Klebsiella
pneumoniae)
PF00393
(6PGD)
PF03446
(NAD_binding_2)
5 GLY A 179
ASN A 102
ILE A  98
THR A  80
ILE A  96
None
0.96A 4q5mA-2zygA:
undetectable
4q5mA-2zygA:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3asi NEUREXIN-1-ALPHA

(Bos taurus)
PF02210
(Laminin_G_2)
5 GLY A1118
ILE A1217
VAL A1152
VAL A1240
ILE A1215
None
0.97A 4q5mA-3asiA:
undetectable
4q5mA-3asiA:
20.92
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.
3cgy VIRULENCE SENSOR
HISTIDINE KINASE
PHOQ


(Salmonella
enterica)
PF02518
(HATPase_c)
5 GLY A 385
ILE A 412
VAL A 399
VAL A 341
ILE A 367
None
1.04A 4q5mA-3cgyA:
undetectable
4q5mA-3cgyA:
21.29
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.
3clq UNCHARACTERIZED
PROTEIN


(Enterococcus
faecalis)
PF06545
(DUF1116)
5 GLY A 317
ASP A 356
ILE A 440
ARG A 315
VAL A 161
None
1.00A 4q5mA-3clqA:
undetectable
4q5mA-3clqA:
21.04
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.
3fdu PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE


(Acinetobacter
baumannii)
PF00378
(ECH_1)
5 GLY A 114
ASN A  33
ILE A  26
VAL A 121
VAL A 191
None
0.94A 4q5mA-3fduA:
undetectable
4q5mA-3fduA:
22.06
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.
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
0.88A 4q5mA-3fs2A:
undetectable
4q5mA-3fs2A:
23.33
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.
3gyb TRANSCRIPTIONAL
REGULATORS
(LACI-FAMILY
TRANSCRIPTIONAL
REGULATORY PROTEIN)


(Corynebacterium
glutamicum)
PF13377
(Peripla_BP_3)
5 GLY A 144
ASN A 288
ILE A  82
PRO A 273
VAL A  68
None
1.01A 4q5mA-3gybA:
undetectable
4q5mA-3gybA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iyl VP1

(Aquareovirus C)
PF06016
(Reovirus_L2)
5 ILE W 842
PRO W 741
VAL W 740
VAL W 852
ILE W 846
None
0.87A 4q5mA-3iylW:
undetectable
4q5mA-3iylW:
10.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khj INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE


(Cryptosporidium
parvum)
PF00478
(IMPDH)
5 GLY A 190
ILE A 235
VAL A 159
ILE A  68
THR A  36
None
0.97A 4q5mA-3khjA:
undetectable
4q5mA-3khjA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Shewanella
pealeana)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 GLY A  96
ILE A  92
ARG A  95
ILE A  56
THR A  89
None
1.04A 4q5mA-3mqtA:
undetectable
4q5mA-3mqtA:
22.25
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.
3mw2 NEUREXIN-1-ALPHA

(Mus musculus)
PF02210
(Laminin_G_2)
5 GLY A 116
ILE A 245
VAL A 150
VAL A 268
ILE A 243
None
0.88A 4q5mA-3mw2A:
undetectable
4q5mA-3mw2A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mw3 NEUREXIN-2-BETA

(Rattus
norvegicus)
PF02210
(Laminin_G_2)
5 GLY A 118
ILE A 247
VAL A 152
VAL A 270
ILE A 245
None
1.00A 4q5mA-3mw3A:
undetectable
4q5mA-3mw3A:
20.78
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.
3mw4 NEUREXIN-2-BETA

(Mus musculus)
PF02210
(Laminin_G_2)
5 GLY A 114
ILE A 213
VAL A 148
VAL A 236
ILE A 211
None
1.00A 4q5mA-3mw4A:
undetectable
4q5mA-3mw4A:
23.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mws HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
7 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
PRO A  81
VAL A  82
None
0.51A 4q5mA-3mwsA:
16.8
4q5mA-3mwsA:
39.90
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.
3nfb BETA-PEPTIDYL
AMINOPEPTIDASE


(Sphingosinicella
xenopeptidilytica)
PF03576
(Peptidase_S58)
5 GLY A 158
ILE A  55
VAL A 169
VAL A  27
ILE A  21
None
0.84A 4q5mA-3nfbA:
undetectable
4q5mA-3nfbA:
19.30
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.
3noy 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE


(Aquifex
aeolicus)
PF04551
(GcpE)
5 GLY A  96
ILE A  79
THR A  33
VAL A  12
ILE A  53
None
0.94A 4q5mA-3noyA:
undetectable
4q5mA-3noyA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvn PLEXIN-C1

(Homo sapiens)
PF01437
(PSI)
5 GLY B  56
ILE B  49
THR B 125
VAL B 447
ILE B  46
None
0.84A 4q5mA-3nvnB:
undetectable
4q5mA-3nvnB:
18.75
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.
3ohn OUTER MEMBRANE USHER
PROTEIN FIMD


(Escherichia
coli)
PF00577
(Usher)
5 ASP A 274
ILE A 303
THR A 314
VAL A 315
VAL A 280
None
1.00A 4q5mA-3ohnA:
undetectable
4q5mA-3ohnA:
18.81
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.
3ox4 ALCOHOL
DEHYDROGENASE 2


(Zymomonas
mobilis)
PF00465
(Fe-ADH)
5 GLY A  17
ILE A 136
VAL A  11
VAL A  51
ILE A  93
None
0.81A 4q5mA-3ox4A:
undetectable
4q5mA-3ox4A:
20.10
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.
3poy NEUREXIN-1-ALPHA

(Bos taurus)
PF00008
(EGF)
PF02210
(Laminin_G_2)
5 GLY A1178
ILE A1307
VAL A1212
VAL A1330
ILE A1305
None
0.86A 4q5mA-3poyA:
undetectable
4q5mA-3poyA:
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.
3qcw NEUREXIN-1-ALPHA

(Bos taurus)
PF00008
(EGF)
PF02210
(Laminin_G_2)
5 GLY A1162
ILE A1291
VAL A1196
VAL A1314
ILE A1289
None
0.97A 4q5mA-3qcwA:
undetectable
4q5mA-3qcwA:
11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qo6 PROTEASE DO-LIKE 1,
CHLOROPLASTIC


(Arabidopsis
thaliana)
PF13180
(PDZ_2)
PF13365
(Trypsin_2)
5 GLY A 237
ILE A 300
ILE A 296
THR A 273
VAL A 169
None
1.04A 4q5mA-3qo6A:
undetectable
4q5mA-3qo6A:
22.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3t3c HIV-1 PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
5 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
017  A 201 (-3.4A)
017  A 201 (-3.5A)
None
017  A 201 (-3.3A)
None
0.64A 4q5mA-3t3cA:
15.9
4q5mA-3t3cA:
37.93
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)
5 GLY A  27
ASP A  29
ILE A  50
THR A  80
PRO A  81
017  A 201 (-3.6A)
017  A 201 (-3.3A)
017  A 201 (-3.3A)
None
017  A 201 (-4.1A)
0.53A 4q5mA-3ttpA:
16.7
4q5mA-3ttpA:
39.41
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)
5 GLY A  27
ASP A  29
ILE A  50
THR A  80
PRO A  81
017  A 201 ( 3.5A)
017  A 201 (-3.2A)
017  A 201 ( 3.5A)
None
017  A 202 (-4.0A)
0.55A 4q5mA-3u7sA:
17.0
4q5mA-3u7sA:
38.42
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 GLY A  27
ASP A  29
ASN A  30
THR A  80
PRO A  81
VAL A  82
None
0.58A 4q5mA-3uhlA:
13.8
4q5mA-3uhlA:
39.90
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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)


(Mycobacterium
avium)
PF13561
(adh_short_C2)
6 GLY A 111
ILE A  39
VAL A 136
VAL A 207
ILE A 253
THR A 209
None
NAD  A 300 (-3.8A)
None
NAD  A 300 (-4.1A)
None
NAD  A 300 (-2.7A)
1.10A 4q5mA-3uveA:
undetectable
4q5mA-3uveA:
21.22
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.
4atf BETA-AGARASE B

(Zobellia
galactanivorans)
PF00722
(Glyco_hydro_16)
6 GLY A 248
ILE A  63
ILE A 347
VAL A 342
VAL A 153
ILE A  80
None
1.50A 4q5mA-4atfA:
undetectable
4q5mA-4atfA:
20.25
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.
4e09 PLASMID PARTITIONING
PROTEIN PARF


(Escherichia
coli)
PF01656
(CbiA)
5 GLY A  14
ASN A  21
ILE A 194
ILE A 137
ILE A 154
ACP  A 301 (-3.2A)
None
None
None
None
0.92A 4q5mA-4e09A:
undetectable
4q5mA-4e09A:
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.
4ehc PE-PGRS FAMILY
PROTEIN


(Mycobacterium
tuberculosis)
no annotation 6 GLY A 249
ILE A 216
VAL A 172
VAL A 210
ILE A 176
THR A 232
None
None
None
EDO  A 326 (-4.9A)
None
None
1.37A 4q5mA-4ehcA:
11.2
4q5mA-4ehcA:
22.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gz8 SEMAPHORIN-3A

(Mus musculus)
PF01403
(Sema)
6 GLY A 337
ASN A 428
ILE A 451
THR A 488
VAL A 340
ILE A 434
None
1.32A 4q5mA-4gz8A:
undetectable
4q5mA-4gz8A:
18.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h7n ALDEHYDE
DEHYDROGENASE


(Trichormus
variabilis)
PF00171
(Aldedh)
5 GLY A 190
ASN A 195
ILE A  19
VAL A 156
VAL A   7
None
1.03A 4q5mA-4h7nA:
undetectable
4q5mA-4h7nA:
19.33
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.
4hvl MEMBRANE-ANCHORED
MYCOSIN MYCP1


(Mycolicibacterium
thermoresistibile)
PF00082
(Peptidase_S8)
5 GLY A 195
ILE A 188
THR A  39
VAL A 233
ILE A 201
None
None
IMD  A 509 ( 3.8A)
None
None
0.96A 4q5mA-4hvlA:
undetectable
4q5mA-4hvlA:
20.38
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.
4hw6 HYPOTHETICAL
PROTEIN, IPT/TIG
DOMAIN PROTEIN


(Bacteroides
ovatus)
PF01833
(TIG)
5 GLY A  62
ILE A 104
VAL A 114
ARG A  63
ILE A  94
None
1.04A 4q5mA-4hw6A:
undetectable
4q5mA-4hw6A:
18.33
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.
4i6m ACTIN-LIKE PROTEIN
ARP9


(Saccharomyces
cerevisiae)
PF00022
(Actin)
5 ILE B 335
VAL B 329
VAL B 164
ILE B 309
THR B 340
None
0.90A 4q5mA-4i6mB:
undetectable
4q5mA-4i6mB:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4if2 PHOSPHOTRIESTERASE
HOMOLOGY PROTEIN


(Mycobacterium
tuberculosis)
PF02126
(PTE)
5 GLY A  96
ILE A  27
VAL A  66
ILE A 205
THR A 148
KCX  A 145 ( 3.4A)
None
None
None
None
1.03A 4q5mA-4if2A:
undetectable
4q5mA-4if2A:
20.60
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.
4iug BETA-GALACTOSIDASE A

(Aspergillus
oryzae)
PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5)
5 GLY A 857
ASN A 352
ILE A 797
VAL A 795
ILE A 819
None
1.03A 4q5mA-4iugA:
undetectable
4q5mA-4iugA:
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.
4ix2 INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE


(Vibrio cholerae)
PF00478
(IMPDH)
5 GLY A 278
ILE A 323
VAL A 246
ILE A  69
THR A  37
None
1.02A 4q5mA-4ix2A:
undetectable
4q5mA-4ix2A:
19.47
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.
4jen CMP N-GLYCOSIDASE

(Clostridium
botulinum)
no annotation 5 ASP A  45
ILE A  71
ILE A 104
THR A  89
ILE A 130
None
0.96A 4q5mA-4jenA:
undetectable
4q5mA-4jenA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k8l PROLINE RACEMASE

(Ochrobactrum
anthropi)
PF05544
(Pro_racemase)
5 ILE A 245
ILE A 201
THR A 242
VAL A 157
ILE A 163
None
0.94A 4q5mA-4k8lA:
undetectable
4q5mA-4k8lA:
20.64
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.
4ld6 PWWP
DOMAIN-CONTAINING
PROTEIN 2B


(Homo sapiens)
PF00855
(PWWP)
6 GLY A 496
ILE A 541
ARG A 554
VAL A 488
ILE A 511
THR A 482
None
1.01A 4q5mA-4ld6A:
undetectable
4q5mA-4ld6A:
19.80
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.
4mwa 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE


(Bacillus
anthracis)
PF04551
(GcpE)
5 GLY D  98
ILE D  73
VAL D  59
ILE D  46
THR D  36
None
1.01A 4q5mA-4mwaD:
undetectable
4q5mA-4mwaD:
23.93
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.
4n6e THIS/MOAD FAMILY
PROTEIN


(Amycolatopsis
orientalis)
PF02597
(ThiS)
6 ASP B  64
ILE B  83
THR B  80
VAL B   3
ARG B  66
ILE B  42
None
1.46A 4q5mA-4n6eB:
undetectable
4q5mA-4n6eB:
18.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4njv PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
PRO A  81
RIT  A 500 (-3.9A)
RIT  A 500 (-3.2A)
RIT  A 500 ( 4.5A)
RIT  A 500 (-4.3A)
None
RIT  A 500 (-3.9A)
0.48A 4q5mA-4njvA:
17.6
4q5mA-4njvA:
43.35
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS


(Desulfitobacterium
hafniense)
PF00809
(Pterin_bind)
5 GLY A  94
ILE A   3
ILE A  43
VAL A  65
ILE A   9
None
0.98A 4q5mA-4o1eA:
undetectable
4q5mA-4o1eA:
24.75
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.
4o6v OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY


(Brucella suis)
PF13561
(adh_short_C2)
5 GLY A 228
ILE A 204
VAL A 175
ILE A 132
THR A 207
None
0.97A 4q5mA-4o6vA:
undetectable
4q5mA-4o6vA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oj5 TAILSPIKE PROTEIN

(Escherichia
virus CBA120)
no annotation 6 GLY A 647
ILE A 675
ILE A 589
PRO A 641
VAL A 643
ILE A 607
None
1.29A 4q5mA-4oj5A:
undetectable
4q5mA-4oj5A:
14.64
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.
4p22 UBIQUITIN-LIKE
MODIFIER-ACTIVATING
ENZYME 1


(Homo sapiens)
PF00899
(ThiF)
PF16190
(E1_FCCH)
PF16191
(E1_4HB)
6 ASP A 393
ILE A 397
ILE A  87
ARG A  81
VAL A  77
ILE A  91
None
1.29A 4q5mA-4p22A:
undetectable
4q5mA-4p22A:
17.85
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.
4q3m MGS-M4

(unidentified)
PF00248
(Aldo_ket_red)
5 GLY A  37
ILE A  68
ILE A  15
VAL A 243
ILE A 217
None
0.97A 4q5mA-4q3mA:
undetectable
4q5mA-4q3mA:
22.30
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.
4qc8 VP2

(Ungulate
bocaparvovirus
1)
PF00740
(Parvo_coat)
5 GLY A 158
ILE A  70
ILE A 453
VAL A 133
ILE A 451
None
1.00A 4q5mA-4qc8A:
undetectable
4q5mA-4qc8A:
16.79
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.
4yhg GH5

(Bacteroidetes
bacterium AC2a)
PF00150
(Cellulase)
5 ASP A 227
ASN A 225
ILE A 334
VAL A 219
ARG A 287
None
1.04A 4q5mA-4yhgA:
undetectable
4q5mA-4yhgA:
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED


(Cupriavidus
metallidurans)
PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK)
5 GLY A 106
ILE A 159
ILE A  81
VAL A  69
ILE A  83
None
1.00A 4q5mA-5cjuA:
undetectable
4q5mA-5cjuA:
10.29
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.
5eb5 HNL ISOENZYME 5

(Prunus dulcis)
PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C)
5 GLY A 252
VAL A 510
ARG A 249
VAL A 234
ILE A  32
None
1.01A 4q5mA-5eb5A:
undetectable
4q5mA-5eb5A:
16.95
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.
5eft P9-1

(Southern rice
black-streaked
dwarf virus)
PF06043
(Reo_P9)
5 GLY B 208
ASN B 212
ILE B  14
VAL B 220
THR B   8
None
0.94A 4q5mA-5eftB:
undetectable
4q5mA-5eftB:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ej2 CARVEOL
DEHYDROGENASE


(Mycobacterium
avium)
PF13561
(adh_short_C2)
6 GLY A 115
ILE A  47
VAL A 140
VAL A 211
ILE A 257
THR A 213
None
NAD  A 300 (-3.8A)
None
NAD  A 300 (-4.2A)
None
NAD  A 300 (-2.6A)
1.10A 4q5mA-5ej2A:
undetectable
4q5mA-5ej2A:
20.92
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.
5fwm HEAT SHOCK PROTEIN
HSP 90 BETA


(Homo sapiens)
PF00183
(HSP90)
PF02518
(HATPase_c)
5 ILE A 182
ILE A  75
THR A 179
VAL A 202
ILE A 213
None
None
ATP  A1691 (-4.4A)
None
None
0.99A 4q5mA-5fwmA:
undetectable
4q5mA-5fwmA:
14.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA
METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT GAMMA


(Methanothermococcus
thermolithotrophicus)
PF02240
(MCR_gamma)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N)
5 GLY B 346
ILE B 331
VAL B 267
ARG C 245
THR B 355
None
1.04A 4q5mA-5n1qB:
undetectable
4q5mA-5n1qB:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n6y NITROGENASE
VANADIUM-IRON
PROTEIN BETA CHAIN


(Azotobacter
vinelandii)
no annotation 6 ASN E 260
ILE E 293
THR E 279
PRO E 280
VAL E 210
THR E 297
None
1.20A 4q5mA-5n6yE:
undetectable
4q5mA-5n6yE:
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q


(Leuconostoc
citreum)
no annotation 6 GLY A 631
ASP A 633
ASN A1274
ILE A 581
ILE A1278
ILE A 565
None
CA  A1501 (-2.3A)
None
None
None
None
1.46A 4q5mA-5ngyA:
undetectable
4q5mA-5ngyA:
9.52
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.
5osn CAPSID PROTEIN

(Enterovirus E)
PF00073
(Rhv)
5 GLY A  84
ASP A 220
VAL A 121
VAL A 136
ILE A 116
None
0.98A 4q5mA-5osnA:
undetectable
4q5mA-5osnA:
20.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5t2z PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
6 GLY A  27
ASP A  29
ILE A  47
ILE A  50
THR A  80
PRO A  81
None
0.53A 4q5mA-5t2zA:
17.5
4q5mA-5t2zA:
40.39