SIMILAR PATTERNS OF AMINO ACIDS FOR 4D39_B_MTLB870_0

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.
1eit MU-AGATOXIN-I

(Agelenopsis
aperta)
PF05980
(Toxin_7)
4 SER A  23
ARG A  25
GLU A   5
ILE A  31
None
1.04A 4d39B-1eitA:
undetectable
4d39B-1eitA:
5.28
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.
1jov HI1317

(Haemophilus
influenzae)
PF01263
(Aldose_epim)
4 ASN A 227
GLU A 189
ILE A 187
ASN A 159
None
1.08A 4d39B-1jovA:
undetectable
4d39B-1jovA:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1lzx NITRIC-OXIDE
SYNTHASE


(Rattus
norvegicus)
PF02898
(NO_synthase)
5 SER A 477
ARG A 481
ASN A 498
ASN A 569
ASP A 709
None
0.33A 4d39B-1lzxA:
59.6
4d39B-1lzxA:
62.75
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.
1m1j FIBRINOGEN BETA
CHAIN


(Gallus gallus)
PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha)
4 SER B 347
ASN B 375
GLU B 359
ASN B 348
None
1.11A 4d39B-1m1jB:
0.0
4d39B-1m1jB:
22.16
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.
1m1j FIBRINOGEN GAMMA
CHAIN


(Gallus gallus)
PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha)
4 ARG C 391
ASN C 189
ILE C 387
ASP C 152
None
1.04A 4d39B-1m1jC:
undetectable
4d39B-1m1jC:
20.04
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.
1m72 CASPASE-1

(Spodoptera
frugiperda)
PF00656
(Peptidase_C14)
4 ASN A 112
GLU A 110
ILE A 111
ASP A 146
None
1.12A 4d39B-1m72A:
0.0
4d39B-1m72A:
19.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE


(Homo sapiens)
PF02898
(NO_synthase)
7 SER A 246
ARG A 250
ASN A 267
GLU A 269
ILE A 270
ASN A 338
ASP A 478
None
0.51A 4d39B-1m9qA:
62.4
4d39B-1m9qA:
95.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nfa HUMAN TRANSCRIPTION
FACTOR NFATC1


(Homo sapiens)
PF00554
(RHD_DNA_bind)
4 SER A  23
ASN A 170
GLU A 173
ILE A 172
None
1.08A 4d39B-1nfaA:
0.0
4d39B-1nfaA:
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.
1px8 BETA-XYLOSIDASE

(Thermoanaerobacterium
saccharolyticum)
PF01229
(Glyco_hydro_39)
4 ARG A 227
GLU A 209
ILE A 208
ASN A 162
None
0.90A 4d39B-1px8A:
0.0
4d39B-1px8A:
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPE-SUBUNIT))


(Sulfolobus
solfataricus)
PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N)
4 SER A 159
ARG A 162
ILE A 163
ASN A 156
None
1.12A 4d39B-1qdlA:
0.0
4d39B-1qdlA:
22.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qw5 NITRIC OXIDE
SYNTHASE, INDUCIBLE


(Mus musculus)
PF02898
(NO_synthase)
4 SER A 256
ARG A 260
GLU A 279
ASN A 348
None
0.60A 4d39B-1qw5A:
57.1
4d39B-1qw5A:
57.79
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.
1t2s ARGONAUTE 2

(Drosophila
melanogaster)
PF02170
(PAZ)
4 ASN A  21
ILE A  20
ASN A  25
ASP A  27
None
0.85A 4d39B-1t2sA:
undetectable
4d39B-1t2sA:
13.18
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.
1za4 THROMBOSPONDIN 1

(Homo sapiens)
PF02210
(Laminin_G_2)
4 ARG A 180
ILE A  49
ASN A 189
ASP A  45
None
1.06A 4d39B-1za4A:
undetectable
4d39B-1za4A:
20.95
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.
2amg 1,4-ALPHA-D-GLUCAN
MALTOTETRAHYDROLASE


(Pseudomonas
stutzeri)
PF00128
(Alpha-amylase)
PF09081
(DUF1921)
4 ASN A 128
GLU A 126
ILE A 127
ASN A 119
None
1.12A 4d39B-2amgA:
undetectable
4d39B-2amgA:
23.00
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.
2c7l PHYCOERYTHROCYANIN
ALPHA CHAIN
PHYCOERYTHROCYANIN
BETA CHAIN


(Mastigocladus
laminosus;
Mastigocladus
laminosus)
PF00502
(Phycobilisome)
PF00502
(Phycobilisome)
4 ASN B  25
GLU B  23
ILE B  24
ASN A  46
None
0.97A 4d39B-2c7lB:
undetectable
4d39B-2c7lB:
17.82
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.
2crq MITOCHONDRIAL
TRANSLATIONAL
INITIATION FACTOR 3


(Mus musculus)
PF00707
(IF3_C)
4 SER A  22
GLU A  65
ILE A  66
ASN A  23
None
0.99A 4d39B-2crqA:
undetectable
4d39B-2crqA:
15.08
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM


(Oryctolagus
cuniculus)
PF00343
(Phosphorylase)
4 ASN A 440
GLU A 385
ASN A 376
ASP A 339
None
1.08A 4d39B-2gj4A:
undetectable
4d39B-2gj4A:
20.24
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.
2ije GUANINE
NUCLEOTIDE-RELEASING
PROTEIN


(Mus musculus)
PF00617
(RasGEF)
4 SER S1124
ARG S1127
GLU S1085
ILE S1086
None
0.93A 4d39B-2ijeS:
undetectable
4d39B-2ijeS:
20.42
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.
2iop CHAPERONE PROTEIN
HTPG


(Escherichia
coli)
PF00183
(HSP90)
PF02518
(HATPase_c)
4 ARG A  33
ILE A 204
ASN A  38
ASP A  41
None
None
ADP  A1001 (-3.9A)
None
1.06A 4d39B-2iopA:
undetectable
4d39B-2iopA:
23.02
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.
2lbf 60S ACIDIC RIBOSOMAL
PROTEIN P2


(Homo sapiens)
PF00428
(Ribosomal_60s)
5 SER B 117
ASN B 147
ILE B 143
ASN B 115
ASP B 122
None
1.49A 4d39B-2lbfB:
undetectable
4d39B-2lbfB:
9.15
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.
2nn3 CASPASE-1

(Spodoptera
frugiperda)
PF00656
(Peptidase_C14)
4 ASN C 112
GLU C 110
ILE C 111
ASP C 146
None
1.10A 4d39B-2nn3C:
undetectable
4d39B-2nn3C:
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.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA


(Homo sapiens)
PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8)
4 SER B1353
ARG B1355
ILE B1349
ASP B1208
None
1.07A 4d39B-2nvuB:
undetectable
4d39B-2nvuB:
18.19
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.
2obi PHOSPHOLIPID
HYDROPEROXIDE
GLUTATHIONE
PEROXIDASE (GPX4)


(Homo sapiens)
PF00255
(GSHPx)
4 ASN A  86
GLU A  88
ILE A  89
ASN A  76
None
1.07A 4d39B-2obiA:
undetectable
4d39B-2obiA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p31 GLUTATHIONE
PEROXIDASE 7


(Homo sapiens)
PF00255
(GSHPx)
4 ASN A  97
GLU A  99
ILE A 100
ASN A  87
None
1.11A 4d39B-2p31A:
undetectable
4d39B-2p31A:
18.76
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.
2pop MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE
7-INTERACTING
PROTEIN 1


(Homo sapiens)
PF00481
(PP2C)
4 ARG A 187
ASN A 306
GLU A 308
ILE A 309
None
0.77A 4d39B-2popA:
undetectable
4d39B-2popA:
22.08
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.
2q3z TRANSGLUTAMINASE 2

(Homo sapiens)
PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core)
4 SER A 419
GLU A 314
ILE A 313
ASN A 417
None
0.98A 4d39B-2q3zA:
undetectable
4d39B-2q3zA:
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.
2rld UNCHARACTERIZED
PROTEIN


(Bacteroides
thetaiotaomicron)
PF05635
(23S_rRNA_IVP)
4 ASN A 107
GLU A 105
ILE A 106
ASP A 102
None
1.12A 4d39B-2rldA:
undetectable
4d39B-2rldA:
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.
2v75 NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
NAB2


(Saccharomyces
cerevisiae)
PF11517
(Nab2)
4 ASN A   9
GLU A  16
ILE A  13
ASN A  86
None
0.90A 4d39B-2v75A:
undetectable
4d39B-2v75A:
12.36
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.
2vmf BETA-MANNOSIDASE

(Bacteroides
thetaiotaomicron)
PF00703
(Glyco_hydro_2)
4 ARG A 296
ASN A 351
GLU A 349
ILE A 353
None
1.10A 4d39B-2vmfA:
undetectable
4d39B-2vmfA:
19.60
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.
2w47 LIPOLYTIC ENZYME,
G-D-S-L


(Ruminiclostridium
thermocellum)
PF16990
(CBM_35)
4 ASN A 108
GLU A  43
ILE A 110
ASN A  77
None
1.01A 4d39B-2w47A:
undetectable
4d39B-2w47A:
15.51
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.
2ypf AVRBS3

(Xanthomonas
campestris)
PF03377
(TAL_effector)
4 ASN A 436
ILE A 471
ASN A 504
ASP A 539
None
1.06A 4d39B-2ypfA:
undetectable
4d39B-2ypfA:
21.62
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.
2zvs UNCHARACTERIZED
FERREDOXIN-LIKE
PROTEIN YFHL


(Escherichia
coli)
PF00037
(Fer4)
4 GLU A  15
ILE A  23
ASN A  10
ASP A  12
None
1.02A 4d39B-2zvsA:
undetectable
4d39B-2zvsA:
10.63
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.
3bc8 O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE


(Mus musculus)
PF05889
(SepSecS)
4 ARG A 230
ASN A 191
GLU A 194
ASN A 369
None
1.12A 4d39B-3bc8A:
undetectable
4d39B-3bc8A:
21.37
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.
3bvh FIBRINOGEN GAMMA
CHAIN


(Homo sapiens)
PF00147
(Fibrinogen_C)
PF08702
(Fib_alpha)
4 ARG C 391
ASN C 189
ILE C 387
ASP C 152
None
1.08A 4d39B-3bvhC:
undetectable
4d39B-3bvhC:
20.18
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.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM


(Homo sapiens)
PF00343
(Phosphorylase)
4 ASN A 440
GLU A 385
ASN A 376
ASP A 339
None
1.09A 4d39B-3cemA:
undetectable
4d39B-3cemA:
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.
3d9i RNA-BINDING PROTEIN
16


(Homo sapiens)
PF04818
(CTD_bind)
4 SER A  89
GLU A 126
ILE A 127
ASN A  90
GOL  A1002 (-3.1A)
None
GOL  A1002 (-4.8A)
SO4  A 147 ( 3.4A)
1.01A 4d39B-3d9iA:
undetectable
4d39B-3d9iA:
14.49
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.
3e13 PUTATIVE IRON-UPTAKE
ABC TRANSPORT
SYSTEM,PERIPLASMIC
IRON-BINDING PROTEIN


(Campylobacter
jejuni)
PF13343
(SBP_bac_6)
4 ARG X 105
ILE X 102
ASN X 273
ASP X  18
FE  X 326 ( 3.9A)
None
None
None
1.05A 4d39B-3e13X:
undetectable
4d39B-3e13X:
21.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3e7g NITRIC OXIDE
SYNTHASE, INDUCIBLE


(Homo sapiens)
PF02898
(NO_synthase)
4 ARG A 266
ASN A 283
GLU A 285
ASN A 354
AT2  A 906 (-3.6A)
None
None
None
1.08A 4d39B-3e7gA:
55.7
4d39B-3e7gA:
58.03
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.
3ffs INOSINE-5-MONOPHOSPH
ATE DEHYDROGENASE


(Cryptosporidium
parvum)
PF00478
(IMPDH)
4 ASN A 184
ILE A 185
ASN A  38
ASP A 207
None
1.11A 4d39B-3ffsA:
undetectable
4d39B-3ffsA:
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.
3fk2 GLUCOCORTICOID
RECEPTOR DNA-BINDING
FACTOR 1


(Homo sapiens)
PF00620
(RhoGAP)
4 SER A1383
GLU A1426
ILE A1429
ASN A1386
None
1.05A 4d39B-3fk2A:
undetectable
4d39B-3fk2A:
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.
3fss HISTONE CHAPERONE
RTT106


(Saccharomyces
cerevisiae)
PF08512
(Rtt106)
4 SER A 146
ASN A 150
GLU A 148
ASN A 122
None
0.98A 4d39B-3fssA:
undetectable
4d39B-3fssA:
19.10
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.
3goz LEUCINE-RICH
REPEAT-CONTAINING
PROTEIN


(Legionella
pneumophila)
no annotation 4 SER A 204
ARG A 175
ASN A 235
ASP A 261
None
1.13A 4d39B-3gozA:
undetectable
4d39B-3gozA:
21.67
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.
3jq0 SUSD SUPERFAMILY
PROTEIN


(Bacteroides
vulgatus)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
4 ASN A 418
GLU A 416
ILE A 417
ASP A 412
None
1.10A 4d39B-3jq0A:
undetectable
4d39B-3jq0A:
20.53
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.
3l2j FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PARATHYROID
HORMONE/PARATHYROID
HORMONE-RELATED
PEPTIDE RECEPTOR


(Escherichia
coli;
Homo sapiens)
PF02793
(HRM)
PF13416
(SBP_bac_8)
4 SER A   8
ARG A  10
ILE A   4
ASP A-137
None
1.09A 4d39B-3l2jA:
undetectable
4d39B-3l2jA:
21.73
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.
3l44 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
1


(Bacillus
anthracis)
PF00202
(Aminotran_3)
4 ASN A 367
GLU A 370
ILE A 369
ASP A 371
None
1.01A 4d39B-3l44A:
undetectable
4d39B-3l44A:
24.16
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA


(Bacillus
licheniformis)
PF04616
(Glyco_hydro_43)
PF16369
(GH43_C)
4 ASN A 183
GLU A 201
ASN A 265
ASP A 267
None
1.12A 4d39B-3lv4A:
undetectable
4d39B-3lv4A:
20.08
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.
3m0o MONOMERIC SARCOSINE
OXIDASE


(Bacillus sp.
B-0618)
PF01266
(DAO)
4 ASN A 124
GLU A 122
ILE A 123
ASN A 135
None
1.11A 4d39B-3m0oA:
undetectable
4d39B-3m0oA:
21.37
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.
3njr PRECORRIN-6Y
METHYLASE


(Rhodobacter
capsulatus)
no annotation 4 SER A  45
ASN A  75
ILE A  72
ASP A  40
SAH  A 300 (-3.1A)
None
None
SAH  A 300 ( 4.8A)
1.13A 4d39B-3njrA:
undetectable
4d39B-3njrA:
20.09
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.
3nvl 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE


(Trypanosoma
brucei)
PF01676
(Metalloenzyme)
PF06415
(iPGM_N)
4 ASN A 533
GLU A 549
ILE A 548
ASN A 526
None
1.06A 4d39B-3nvlA:
undetectable
4d39B-3nvlA:
22.46
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.
3o9p PERIPLASMIC MUREIN
PEPTIDE-BINDING
PROTEIN


(Escherichia
coli)
PF00496
(SBP_bac_5)
4 ARG A  41
GLU A  36
ILE A  40
ASN A 161
None
1.13A 4d39B-3o9pA:
undetectable
4d39B-3o9pA:
22.86
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.
3omb EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 1


(Bifidobacterium
longum)
PF01547
(SBP_bac_1)
4 SER A 521
ASN A 482
GLU A 484
ILE A 485
None
0.98A 4d39B-3ombA:
undetectable
4d39B-3ombA:
21.09
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.
3pgl CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 1


(Homo sapiens)
PF03031
(NIF)
4 SER A 208
ASN A 187
ASN A 207
ASP A  96
None
None
MG  A   1 (-2.7A)
MG  A   1 (-2.5A)
1.05A 4d39B-3pglA:
undetectable
4d39B-3pglA:
22.32
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.
3ps0 CRISPR-ASSOCIATED
PROTEIN, CSA2


(Sulfolobus
solfataricus)
PF01905
(DevR)
4 ARG A 147
GLU A 300
ILE A 299
ASP A 268
None
0.96A 4d39B-3ps0A:
undetectable
4d39B-3ps0A:
20.09
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.
3qr1 PHOSPHOLIPASE C-BETA
(PLC-BETA)


(Doryteuthis
pealeii)
PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like)
4 SER A 543
ARG A 570
GLU A 546
ILE A 571
None
0.98A 4d39B-3qr1A:
undetectable
4d39B-3qr1A:
18.46
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.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron)
PF12741
(SusD-like)
4 ASN A  62
GLU A  60
ILE A  61
ASN A  48
None
0.91A 4d39B-3sghA:
undetectable
4d39B-3sghA:
21.06
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.
3ttg PUTATIVE
AMINOMETHYLTRANSFERA
SE


(Leptospirillum
rubarum)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
4 SER A 300
ARG A 262
GLU A 206
ILE A 302
None
0.96A 4d39B-3ttgA:
undetectable
4d39B-3ttgA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tts BETA-GALACTOSIDASE

(Bacillus
circulans)
PF02449
(Glyco_hydro_42)
PF08532
(Glyco_hydro_42M)
PF08533
(Glyco_hydro_42C)
4 ARG A 135
GLU A  67
ILE A  66
ASP A  64
None
1.05A 4d39B-3ttsA:
undetectable
4d39B-3ttsA:
20.56
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.
4asi ACETYL-COA
CARBOXYLASE 1


(Homo sapiens)
PF01039
(Carboxyl_trans)
4 SER A1740
ARG A1750
GLU A1850
ILE A1851
None
1.11A 4d39B-4asiA:
undetectable
4d39B-4asiA:
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.
4av2 TYPE IV PILUS
BIOGENESIS AND
COMPETENCE PROTEIN
PILQ


(Neisseria
meningitidis)
PF03958
(Secretin_N)
PF07660
(STN)
4 ARG A 402
ASN A 379
GLU A 356
ILE A 357
None
1.10A 4d39B-4av2A:
undetectable
4d39B-4av2A:
17.72
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.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans)
PF00067
(p450)
4 SER A  79
ARG A  82
ILE A  76
ASP A  74
None
1.13A 4d39B-4c9mA:
undetectable
4d39B-4c9mA:
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.
4f5x RNA-DIRECTED RNA
POLYMERASE


(Rotavirus A)
PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1)
4 GLU W 676
ILE W 675
ASN W 633
ASP W 632
None
1.03A 4d39B-4f5xW:
undetectable
4d39B-4f5xW:
17.02
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.
4hhq SERUM PARAOXONASE BY
DIRECTED EVOLUTION


(synthetic
construct)
PF01731
(Arylesterase)
4 SER A 272
GLU A  53
ASN A 227
ASP A 169
None
CA  A 402 (-3.4A)
None
CA  A 401 (-2.1A)
0.94A 4d39B-4hhqA:
undetectable
4d39B-4hhqA:
22.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4idi ORYZA SATIVA
RURM1-RELATED


(Plasmodium
yoelii)
PF09138
(Urm1)
4 SER A  55
ARG A  44
GLU A  37
ILE A  40
None
1.08A 4d39B-4idiA:
undetectable
4d39B-4idiA:
12.78
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.
4kcd GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 3A


(Rattus
norvegicus)
PF10613
(Lig_chan-Glu_bd)
4 SER A 125
ARG A 130
GLU A  14
ASP A 224
None
1.06A 4d39B-4kcdA:
undetectable
4d39B-4kcdA:
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.
4l9m RAS GUANYL-RELEASING
PROTEIN 1


(Homo sapiens)
PF00130
(C1_1)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF13405
(EF-hand_6)
4 SER A 456
ASN A 252
GLU A 245
ILE A 248
None
0.90A 4d39B-4l9mA:
undetectable
4d39B-4l9mA:
22.62
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.
4lde LYSOZYME, BETA-2
ADRENERGIC RECEPTOR


(Homo sapiens;
Escherichia
virus T4)
PF00001
(7tm_1)
PF00959
(Phage_lysozyme)
4 ASN A 867
ILE A 868
ASN A 933
ASP A 937
None
1.00A 4d39B-4ldeA:
undetectable
4d39B-4ldeA:
22.95
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.
4na3 POLYKETIDE SYNTHASE
PKSJ


(Bacillus
subtilis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
4 ASN A 324
GLU A 322
ILE A 323
ASN A 392
None
0.63A 4d39B-4na3A:
undetectable
4d39B-4na3A:
22.09
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.
4q5t LIPOPROTEIN

(Streptococcus
mutans)
PF03180
(Lipoprotein_9)
4 ASN A 235
GLU A 108
ILE A 236
ASN A  90
None
0.92A 4d39B-4q5tA:
undetectable
4d39B-4q5tA:
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.
4qlz SJCHGC07024 PROTEIN

(Schistosoma
japonicum)
PF00719
(Pyrophosphatase)
4 ASN A  64
GLU A  56
ILE A  57
ASP A 115
None
CO  A 403 (-3.4A)
None
CO  A 403 ( 3.5A)
0.99A 4d39B-4qlzA:
undetectable
4d39B-4qlzA:
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.
4ru3 PUNCTURING PROTEIN
GP41


(Pseudomonas
virus SN)
no annotation 4 SER A 160
ARG A 162
ASN A 165
ILE A 166
None
0.89A 4d39B-4ru3A:
undetectable
4d39B-4ru3A:
21.36
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.
4u5a SPOROZOITE MICRONEME
PROTEIN ESSENTIAL
FOR CELL TRAVERSAL


(Plasmodium
berghei)
no annotation 4 ASN A 119
GLU A 117
ILE A 116
ASP A  55
None
0.98A 4d39B-4u5aA:
undetectable
4d39B-4u5aA:
17.22
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.
4u66 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE
MSRA


(Alkaliphilus
oremlandii)
PF01625
(PMSR)
4 ASN A 116
GLU A 113
ILE A 112
ASN A  80
None
1.06A 4d39B-4u66A:
undetectable
4d39B-4u66A:
18.85
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.
4uei STEROL CARRIER
PROTEIN
2/3-OXOACYL-COA
THIOLASE


(Helicoverpa
armigera)
PF02036
(SCP2)
4 ARG A  48
GLU A  37
ILE A  44
ASN A  69
None
1.00A 4d39B-4ueiA:
undetectable
4d39B-4ueiA:
14.68
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.
4v16 SVP1-LIKE PROTEIN 2

(Kluyveromyces
lactis)
no annotation 4 ARG A  47
GLU A 336
ILE A 337
ASN A  15
None
1.07A 4d39B-4v16A:
undetectable
4d39B-4v16A:
20.86
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.
4y25 POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
EXPORT PROTEIN


(Escherichia
coli)
no annotation 4 SER A 586
ASN A 588
ILE A 589
ASN A 554
None
1.03A 4d39B-4y25A:
undetectable
4d39B-4y25A:
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.
5a53 REGULATOR OF
RIBOSOME
BIOSYNTHESIS
RIBOSOME BIOGENESIS
PROTEIN RPF2


(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae)
PF04939
(RRS1)
PF04427
(Brix)
4 SER C 169
ARG C 166
ASN A  25
ASP C 171
SO4  C1254 (-3.2A)
SO4  C1254 (-3.1A)
None
None
0.94A 4d39B-5a53C:
undetectable
4d39B-5a53C:
19.68
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.
5amq RNA POLYMERASE L

(California
encephalitis
orthobunyavirus)
PF04196
(Bunya_RdRp)
PF15518
(L_protein_N)
4 SER A  98
ASN A 237
GLU A 245
ASN A  99
None
1.09A 4d39B-5amqA:
undetectable
4d39B-5amqA:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bnz GLUTAMINE--TRNA
LIGASE


(Pseudomonas
aeruginosa)
PF00749
(tRNA-synt_1c)
PF03950
(tRNA-synt_1c_C)
4 SER A 438
ARG A 420
GLU A 423
ASN A 357
None
1.11A 4d39B-5bnzA:
undetectable
4d39B-5bnzA:
22.13
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.
5cuv ACIDOCALCISOMAL
PYROPHOSPHATASE


(Trypanosoma
cruzi)
PF00719
(Pyrophosphatase)
4 ASN A 247
GLU A 239
ILE A 240
ASP A 293
None
0.90A 4d39B-5cuvA:
undetectable
4d39B-5cuvA:
20.21
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.
5cux ACIDOCALCISOMAL
PYROPHOSPHATASE


(Trypanosoma
cruzi)
PF00719
(Pyrophosphatase)
4 ASN A 247
GLU A 239
ILE A 240
ASP A 293
None
1.06A 4d39B-5cuxA:
undetectable
4d39B-5cuxA:
20.63
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.
5cuy ACIDOCALCISOMAL
PYROPHOSPHATASE


(Trypanosoma
brucei)
PF00719
(Pyrophosphatase)
4 ASN A 247
GLU A 239
ILE A 240
ASP A 293
None
1.04A 4d39B-5cuyA:
undetectable
4d39B-5cuyA:
20.58
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.
5f2v GTP
PYROPHOSPHOKINASE
YJBM


(Bacillus
subtilis)
no annotation 4 SER V  38
ARG V  28
ILE V  40
ASP V  85
None
1.11A 4d39B-5f2vV:
undetectable
4d39B-5f2vV:
18.65
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.
5gpq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,APOPTOSIS-AS
SOCIATED SPECK-LIKE
PROTEIN CONTAINING A
CARD


(Escherichia
coli;
Danio rerio)
PF00619
(CARD)
PF13416
(SBP_bac_8)
4 SER A 353
ARG A 355
ILE A 349
ASP A 208
None
1.06A 4d39B-5gpqA:
undetectable
4d39B-5gpqA:
20.58
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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE


(Pyrococcus
horikoshii)
PF02449
(Glyco_hydro_42)
4 ASN A 379
GLU A 308
ILE A 348
ASP A 180
None
PO4  A 802 ( 4.4A)
None
None
0.93A 4d39B-5gslA:
undetectable
4d39B-5gslA:
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.
5hzw MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ENDOGLIN


(Escherichia
coli;
Homo sapiens)
PF13416
(SBP_bac_8)
4 SER A 407
ARG A 409
ILE A 403
ASP A 262
None
1.04A 4d39B-5hzwA:
undetectable
4d39B-5hzwA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5irc RHO
GTPASE-ACTIVATING
PROTEIN 35


(Rattus
norvegicus)
PF00620
(RhoGAP)
4 SER A1383
GLU A1426
ILE A1429
ASN A1386
None
1.00A 4d39B-5ircA:
undetectable
4d39B-5ircA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iw9 BASEPLATE WEDGE
PROTEIN GP25


(Escherichia
virus T4)
PF04965
(GPW_gp25)
4 SER A  79
ASN A  76
GLU A  74
ILE A  77
None
1.01A 4d39B-5iw9A:
undetectable
4d39B-5iw9A:
14.19
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.
5ixp EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 1


(Kribbella
flavida)
PF13416
(SBP_bac_8)
4 ARG A 218
ASN A 403
GLU A 401
ILE A 402
None
1.09A 4d39B-5ixpA:
undetectable
4d39B-5ixpA:
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.
5jyg ACTIN-LIKE ATPASE

(Magnetospirillum
magneticum)
PF06723
(MreB_Mbl)
4 ARG A 305
GLU A 263
ILE A 262
ASP A 260
None
1.11A 4d39B-5jygA:
undetectable
4d39B-5jygA:
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.
5nf4 MINOR FIMBRIUM TIP
SUBUNIT MFA3


(Porphyromonas
gingivalis)
no annotation 4 ASN A 222
GLU A 225
ILE A 252
ASN A 271
None
1.10A 4d39B-5nf4A:
undetectable
4d39B-5nf4A:
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.
5nzz TGF-BETA-ACTIVATED
KINASE 1 AND
MAP3K7-BINDING
PROTEIN 1


(Homo sapiens)
no annotation 4 ARG A 187
ASN A 306
GLU A 308
ILE A 309
None
0.79A 4d39B-5nzzA:
undetectable
4d39B-5nzzA:
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.
5t3u PTS SYSTEM, IIA
COMPONENT


(Streptococcus
pneumoniae)
PF03610
(EIIA-man)
4 SER A 111
ARG A   7
GLU A 120
ILE A 121
None
1.00A 4d39B-5t3uA:
undetectable
4d39B-5t3uA:
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.
5ulj RAI1

(Scheffersomyces
stipitis)
PF08652
(RAI1)
4 SER A 140
GLU A 143
ILE A 144
ASN A 139
None
1.04A 4d39B-5uljA:
undetectable
4d39B-5uljA:
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.
5xsy SODIUM CHANNEL
PROTEIN


(Electrophorus
electricus)
PF00520
(Ion_trans)
PF06512
(Na_trans_assoc)
4 ASN A 125
ILE A 223
ASN A 185
ASP A 188
None
1.11A 4d39B-5xsyA:
undetectable
4d39B-5xsyA:
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.
5y2z LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1


(Homo sapiens)
no annotation 4 ASN B 531
GLU B 248
ILE B 530
ASN B 534
None
1.11A 4d39B-5y2zB:
undetectable
4d39B-5y2zB:
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.
5y31 LEUCINE-RICH
GLIOMA-INACTIVATED
PROTEIN 1


(Homo sapiens)
no annotation 4 ASN B 531
GLU B 248
ILE B 530
ASN B 534
None
1.11A 4d39B-5y31B:
undetectable
4d39B-5y31B:
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.
6elw PHOSPHOLIPID
HYDROPEROXIDE
GLUTATHIONE
PEROXIDASE,
MITOCHONDRIAL


(Homo sapiens)
no annotation 4 ASN A  86
GLU A  88
ILE A  89
ASN A  76
None
1.06A 4d39B-6elwA:
undetectable
4d39B-6elwA:
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.
6epd 26S PROTEASOME
SUBUNIT S5A


(Rattus
norvegicus)
no annotation 4 ASN W  12
GLU W 118
ILE W  84
ASP W 119
None
0.96A 4d39B-6epdW:
undetectable
4d39B-6epdW:
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.
6fml RUVB-LIKE HELICASE

(Chaetomium
thermophilum)
no annotation 4 SER D 309
ILE D 305
ASN D 312
ASP D 348
None
1.09A 4d39B-6fmlD:
undetectable
4d39B-6fmlD:
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.
6g4q SUCCINATE--COA
LIGASE [ADP-FORMING]
SUBUNIT BETA,
MITOCHONDRIAL


(Homo sapiens)
no annotation 4 ASN B 258
GLU B 193
ILE B 192
ASP B 194
None
1.11A 4d39B-6g4qB:
undetectable
4d39B-6g4qB:
undetectable