SIMILAR PATTERNS OF AMINO ACIDS FOR 1XOQ_A_ROFA502_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.
1cpy SERINE
CARBOXYPEPTIDASE

(Saccharomyces
cerevisiae) 		PF00450
(Peptidase_S10) 		3 ASN A  51
TRP A  49
GLN A  95
 None
 1.09A 1xoqA-1cpyA:
undetectable		 1xoqA-1cpyA:
21.51
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.
1eu8 TREHALOSE/MALTOSE
BINDING PROTEIN

(Thermococcus
litoralis) 		PF01547
(SBP_bac_1) 		3 ASN A 265
TRP A 261
GLN A 247
 None
 1.36A 1xoqA-1eu8A:
undetectable		 1xoqA-1eu8A:
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.
1f0p ANTIGEN 85-B

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		3 ASN A 255
TRP A 208
GLN A 241
 None
 1.00A 1xoqA-1f0pA:
undetectable		 1xoqA-1f0pA:
22.07
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.
1h5q NADP-DEPENDENT
MANNITOL
DEHYDROGENASE

(Agaricus
bisporus) 		PF13561
(adh_short_C2) 		3 ASN A 221
TRP A 262
GLN A 157
 None
 0.86A 1xoqA-1h5qA:
undetectable		 1xoqA-1h5qA:
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.
1ngn METHYL-CPG BINDING
PROTEIN MBD4

(Mus musculus) 		PF00730
(HhH-GPD) 		3 ASN A 525
TRP A 412
GLN A 529
 None
 1.32A 1xoqA-1ngnA:
undetectable		 1xoqA-1ngnA:
19.20
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.
1onk GALACTOSE SPECIFIC
LECTIN I B CHAIN

(Viscum album) 		PF00652
(Ricin_B_lectin) 		3 ASN B 156
TRP B 161
GLN B 169
 None
 1.41A 1xoqA-1onkB:
undetectable		 1xoqA-1onkB:
21.69
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.
1pn4 PEROXISOMAL
HYDRATASE-DEHYDROGEN
ASE-EPIMERASE

(Candida
tropicalis) 		PF01575
(MaoC_dehydratas) 		3 ASN A  51
TRP A   7
GLN A  56
 None
None
HDC  A1277 ( 4.6A)
 0.99A 1xoqA-1pn4A:
undetectable		 1xoqA-1pn4A:
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.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		3 ASN A 384
TRP A 365
GLN A 386
 None
 1.23A 1xoqA-1qxpA:
undetectable		 1xoqA-1qxpA:
16.85
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.
1wh0 UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 19

(Homo sapiens) 		PF04969
(CS) 		3 ASN A  87
TRP A 115
GLN A 111
 None
 1.43A 1xoqA-1wh0A:
undetectable		 1xoqA-1wh0A:
15.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		3 ASN A 365
TRP A 376
GLN A 413
 IBM  A 503 ( 4.7A)
None
IBM  A 503 (-3.0A)
 0.20A 1xoqA-1zklA:
45.5		 1xoqA-1zklA:
33.60
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.
2aey FRUCTAN
1-EXOHYDROLASE IIA

(Cichorium
intybus) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 ASN A  21
TRP A  19
GLN A 311
 DQQ  A 801 (-3.5A)
None
None
 1.15A 1xoqA-2aeyA:
undetectable		 1xoqA-2aeyA:
21.05
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.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		3 ASN A 429
TRP A 431
GLN A 304
 None
 1.34A 1xoqA-2bihA:
undetectable		 1xoqA-2bihA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		3 ASN A 429
TRP A 431
GLN A 304
 None
 1.36A 1xoqA-2biiA:
undetectable		 1xoqA-2biiA:
21.33
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.
2cfz SDS HYDROLASE SDSA1

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		3 ASN A 300
TRP A 322
GLN A 274
 None
 1.42A 1xoqA-2cfzA:
undetectable		 1xoqA-2cfzA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cic DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDE HYDROLASE

(Campylobacter
jejuni) 		PF08761
(dUTPase_2) 		3 ASN A  22
TRP A  26
GLN A 183
 DUP  A1968 (-3.1A)
None
None
 1.12A 1xoqA-2cicA:
undetectable		 1xoqA-2cicA:
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.
2cjq RNA-DIRECTED RNA
POLYMERASE

(Pestivirus A) 		PF00998
(RdRP_3) 		3 ASN A 414
TRP A 349
GLN A 407
 None
 1.44A 1xoqA-2cjqA:
undetectable		 1xoqA-2cjqA:
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.
2ls0 ZOOCIN A
ENDOPEPTIDASE

(Streptococcus
equi) 		PF16775
(ZoocinA_TRD) 		3 ASN 1  53
TRP 1 115
GLN 1  37
 None
 1.15A 1xoqA-2ls01:
undetectable		 1xoqA-2ls01:
18.02
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.
2m9a E3 UBIQUITIN-PROTEIN
LIGASE ZFP91

(Homo sapiens) 		PF00096
(zf-C2H2) 		3 ASN A  58
TRP A  59
GLN A  53
 None
 1.08A 1xoqA-2m9aA:
undetectable		 1xoqA-2m9aA:
18.21
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.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		3 ASN A 532
TRP A 531
GLN A 536
 None
 1.07A 1xoqA-2nyfA:
undetectable		 1xoqA-2nyfA:
20.73
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.
2ohh TYPE A FLAVOPROTEIN
FPRA

(Methanothermobacter
thermautotrophicus) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		3 ASN A  36
TRP A  14
GLN A 174
 None
 1.29A 1xoqA-2ohhA:
undetectable		 1xoqA-2ohhA:
20.33
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.
2q8q IRON-REGULATED
SURFACE DETERMINANT
E

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		3 ASN A 246
TRP A 249
GLN A 245
 None
 1.14A 1xoqA-2q8qA:
undetectable		 1xoqA-2q8qA:
23.63
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.
2qqu BETA-FRUCTOFURANOSID
ASE

(Arabidopsis
thaliana) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		3 ASN A  22
TRP A  20
GLN A 316
 SUC  A 800 (-3.6A)
None
None
 0.97A 1xoqA-2qquA:
undetectable		 1xoqA-2qquA:
19.03
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		3 ASN A 533
TRP A 544
GLN A 581
 NPV  A   3 (-4.4A)
None
NPV  A   3 (-3.1A)
 0.13A 1xoqA-2qykA:
52.5		 1xoqA-2qykA:
82.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		3 ASN A 838
TRP A 849
GLN A 887
 IBM  A   3 (-4.5A)
None
IBM  A   3 (-3.3A)
 0.36A 1xoqA-2r8qA:
39.4		 1xoqA-2r8qA:
30.27
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.
2yfs LEVANSUCRASE

(Lactobacillus
johnsonii) 		PF02435
(Glyco_hydro_68) 		3 ASN A 305
TRP A 339
GLN A 261
 SUC  A1710 (-3.5A)
SUC  A1709 (-4.2A)
None
 0.82A 1xoqA-2yfsA:
undetectable		 1xoqA-2yfsA:
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		3 ASN A 311
TRP A 333
GLN A 285
 None
 1.37A 1xoqA-2yheA:
undetectable		 1xoqA-2yheA:
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.
2z6h CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		3 ASN A 380
TRP A 338
GLN A 375
 None
 1.43A 1xoqA-2z6hA:
undetectable		 1xoqA-2z6hA:
19.79
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.
3bb7 INTERPAIN A

(Prevotella
intermedia) 		PF01640
(Peptidase_C10)
PF13734
(Inhibitor_I69) 		3 ASN A 325
TRP A 324
GLN A 161
 None
 1.44A 1xoqA-3bb7A:
undetectable		 1xoqA-3bb7A:
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.
3c49 POLY(ADP-RIBOSE)
POLYMERASE 3

(Homo sapiens) 		PF00644
(PARP)
PF02877
(PARP_reg) 		3 ASN A 419
TRP A 383
GLN A 512
 None
 1.13A 1xoqA-3c49A:
undetectable		 1xoqA-3c49A:
21.58
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.
3d00 TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT E

(Syntrophus
aciditrophicus) 		PF02663
(FmdE) 		3 ASN A  73
TRP A  75
GLN A  64
 None
 1.43A 1xoqA-3d00A:
undetectable		 1xoqA-3d00A:
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.
3d3f YVGN PROTEIN

(Bacillus
subtilis) 		PF00248
(Aldo_ket_red) 		3 ASN A 142
TRP A 189
GLN A 144
 NDP  A   1 (-3.3A)
NDP  A   1 (-3.3A)
None
 1.42A 1xoqA-3d3fA:
undetectable		 1xoqA-3d3fA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00891
(Methyltransf_2) 		3 ASN A  98
TRP A  94
GLN A  42
 None
 1.40A 1xoqA-3dp7A:
undetectable		 1xoqA-3dp7A:
22.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		3 ASN A 729
TRP A 740
GLN A 778
 None
None
IBM  A   3 (-3.4A)
 0.16A 1xoqA-3ecnA:
44.9		 1xoqA-3ecnA:
33.42
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		3 ASN A 598
TRP A 512
GLN A 836
 None
 1.41A 1xoqA-3ecqA:
undetectable		 1xoqA-3ecqA:
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.
3fmc PUTATIVE
SUCCINYLGLUTAMATE
DESUCCINYLASE /
ASPARTOACYLASE

(Shewanella
amazonensis) 		PF04952
(AstE_AspA) 		3 ASN A  75
TRP A  99
GLN A  38
 None
 1.08A 1xoqA-3fmcA:
undetectable		 1xoqA-3fmcA:
23.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		3 ASN A 487
TRP A 498
GLN A 535
 D71  A 901 (-4.5A)
None
D71  A 901 (-3.1A)
 0.37A 1xoqA-3g4gA:
53.0		 1xoqA-3g4gA:
81.20
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.
3h0o BETA-GLUCANASE

(Fibrobacter
succinogenes) 		PF00722
(Glyco_hydro_16) 		3 ASN A 139
TRP A 141
GLN A 161
 TRS  A 404 (-3.3A)
TRS  A 404 (-3.9A)
None
 0.73A 1xoqA-3h0oA:
undetectable		 1xoqA-3h0oA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hdc THIOREDOXIN FAMILY
PROTEIN

(Geobacter
metallireducens) 		PF00578
(AhpC-TSA) 		3 ASN A  99
TRP A  67
GLN A 126
 None
 1.16A 1xoqA-3hdcA:
undetectable		 1xoqA-3hdcA:
17.66
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.
3hxk SUGAR HYDROLASE

(Lactococcus
lactis) 		PF00326
(Peptidase_S9) 		3 ASN A  80
TRP A  26
GLN A  59
 None
 1.18A 1xoqA-3hxkA:
undetectable		 1xoqA-3hxkA:
21.07
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.
3ian CHITINASE

(Lactococcus
lactis) 		PF00704
(Glyco_hydro_18) 		3 ASN A 324
TRP A  49
GLN A  74
 None
None
EDO  A 364 (-4.0A)
 1.37A 1xoqA-3ianA:
undetectable		 1xoqA-3ianA:
22.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ira CONSERVED PROTEIN

(Methanosarcina
mazei) 		PF03190
(Thioredox_DsbH) 		3 ASN A  19
TRP A  23
GLN A  15
 None
 1.42A 1xoqA-3iraA:
undetectable		 1xoqA-3iraA:
17.77
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.
3itq PROLYL
4-HYDROXYLASE, ALPHA
SUBUNIT DOMAIN
PROTEIN

(Bacillus
anthracis) 		PF13640
(2OG-FeII_Oxy_3) 		3 ASN A 117
TRP A 204
GLN A 122
 None
 1.44A 1xoqA-3itqA:
undetectable		 1xoqA-3itqA:
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.
3lwu SUCCINYLGLUTAMATE
DESUCCINYLASE/ASPART
OACYLASE

(Shewanella
frigidimarina) 		PF04952
(AstE_AspA) 		3 ASN A  77
TRP A 101
GLN A  40
 None
 0.99A 1xoqA-3lwuA:
undetectable		 1xoqA-3lwuA:
23.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n3z HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A

(Homo sapiens) 		PF00233
(PDEase_I) 		3 ASN A 405
TRP A 416
GLN A 453
 IBM  A   1 (-3.5A)
None
IBM  A   1 (-3.5A)
 0.86A 1xoqA-3n3zA:
41.3		 1xoqA-3n3zA:
30.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		3 ASN A 395
TRP A 406
GLN A 443
 ZG2  A 506 (-4.3A)
None
ZG2  A 506 (-3.3A)
 0.11A 1xoqA-3o57A:
52.2		 1xoqA-3o57A:
82.81
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA
6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00365
(PFK)
PF00365
(PFK) 		3 ASN A 609
TRP A 653
GLN B 746
 None
 1.31A 1xoqA-3o8oA:
undetectable		 1xoqA-3o8oA:
18.42
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.
3oec CARVEOL
DEHYDROGENASE
(MYTHA.01326.C,
A0R518 HOMOLOG)

(Mycolicibacterium
thermoresistibile) 		PF13561
(adh_short_C2) 		3 ASN A 220
TRP A 259
GLN A  36
 None
 1.25A 1xoqA-3oecA:
undetectable		 1xoqA-3oecA:
23.28
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.
3opy 6-PHOSPHOFRUCTO-1-KI
NASE ALPHA-SUBUNIT
6-PHOSPHOFRUCTO-1-KI
NASE BETA-SUBUNIT

(Komagataella
pastoris;
Komagataella
pastoris) 		PF00365
(PFK)
PF00365
(PFK) 		3 ASN A 614
TRP A 658
GLN B 731
 None
 1.40A 1xoqA-3opyA:
undetectable		 1xoqA-3opyA:
16.23
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.
3otd TRNA(HIS)
GUANYLYLTRANSFERASE

(Homo sapiens) 		PF04446
(Thg1)
PF14413
(Thg1C) 		3 ASN A 137
TRP A  23
GLN A 138
 None
 1.08A 1xoqA-3otdA:
undetectable		 1xoqA-3otdA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		3 ASN A 321
TRP A 332
GLN A 369
 ASN  A 321 (-0.6A)
TRP  A 332 ( 0.5A)
GLN  A 369 (-0.6A)
 0.25A 1xoqA-3sl5A:
53.5		 1xoqA-3sl5A:
94.56
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.
3sqi KLLA0E03807P

(Kluyveromyces
lactis) 		PF16787
(NDC10_II) 		3 ASN A 272
TRP A 275
GLN A 273
 None
 1.44A 1xoqA-3sqiA:
undetectable		 1xoqA-3sqiA:
21.21
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.
3t79 KLLA0E03807P

(Kluyveromyces
lactis) 		PF16787
(NDC10_II) 		3 ASN A 272
TRP A 275
GLN A 273
 None
 1.44A 1xoqA-3t79A:
undetectable		 1xoqA-3t79A:
20.57
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.
3tpa HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		3 ASN A 475
TRP A 440
GLN A 290
 None
 1.33A 1xoqA-3tpaA:
undetectable		 1xoqA-3tpaA:
21.08
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.
3w0s HYGROMYCIN-B
4-O-KINASE

(Escherichia
coli) 		PF01636
(APH) 		3 ASN A 231
TRP A 235
GLN A 245
 HY0  A 401 (-3.3A)
HY0  A 401 (-3.5A)
None
 1.13A 1xoqA-3w0sA:
undetectable		 1xoqA-3w0sA:
22.19
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.
3wx7 CHITIN
OLIGOSACCHARIDE
DEACETYLASE

(Vibrio
parahaemolyticus) 		PF01522
(Polysacc_deac_1) 		3 ASN A 167
TRP A 169
GLN A 273
 None
 0.92A 1xoqA-3wx7A:
undetectable		 1xoqA-3wx7A:
21.19
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.
3ziz GH5
ENDO-BETA-1,4-MANNAN
ASE

(Podospora
anserina) 		PF00150
(Cellulase) 		3 ASN A  87
TRP A  71
GLN A  90
 None
 1.42A 1xoqA-3zizA:
undetectable		 1xoqA-3zizA:
21.33
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.
3zpx LIPASE

(Ustilago maydis) 		PF03583
(LIP) 		3 ASN A 195
TRP A 192
GLN A 349
 None
 1.18A 1xoqA-3zpxA:
undetectable		 1xoqA-3zpxA:
19.13
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.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		3 ASN A 492
TRP A 496
GLN A 480
 None
 1.42A 1xoqA-4fgvA:
undetectable		 1xoqA-4fgvA:
15.49
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.
4fme ADP-RIBOSYLATION
FACTOR 6

(Homo sapiens) 		PF00025
(Arf) 		3 ASN C  60
TRP C  62
GLN C  82
 None
 0.96A 1xoqA-4fmeC:
undetectable		 1xoqA-4fmeC:
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.
4gu3 OUTER CAPSID PROTEIN
SIGMA-1

(Mammalian
orthoreovirus) 		PF01664
(Reo_sigma1) 		3 ASN A 375
TRP A 350
GLN A 455
 None
 1.28A 1xoqA-4gu3A:
undetectable		 1xoqA-4gu3A:
22.87
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.
4hb4 EXPORTIN-1

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		3 ASN C 506
TRP C 510
GLN C 494
 None
 1.43A 1xoqA-4hb4C:
undetectable		 1xoqA-4hb4C:
17.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		3 ASN A 825
TRP A 836
GLN A 874
 None
 0.33A 1xoqA-4i15A:
38.8		 1xoqA-4i15A:
32.23
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 ASN A 613
TRP A 540
GLN A 606
 None
 1.42A 1xoqA-4k6mA:
undetectable		 1xoqA-4k6mA:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ktp GLYCOSIDE HYDROLASE
FAMILY 65 CENTRAL
CATALYTIC

([Bacillus]
selenitireducens) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		3 ASN A 169
TRP A  70
GLN A 325
 None
 1.30A 1xoqA-4ktpA:
undetectable		 1xoqA-4ktpA:
19.74
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.
4kyx ADP-RIBOSE
PYROPHOSPHATASE MUTT

(Rickettsia
felis) 		PF00293
(NUDIX) 		3 ASN A 100
TRP A 109
GLN A  99
 None
 1.24A 1xoqA-4kyxA:
undetectable		 1xoqA-4kyxA:
17.95
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.
4lqe MEPB

(Staphylococcus
aureus) 		PF08877
(MepB) 		3 ASN A  27
TRP A  61
GLN A  43
 None
 1.32A 1xoqA-4lqeA:
undetectable		 1xoqA-4lqeA:
17.77
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.
4nz5 DEACETYLASE DA1

(Vibrio cholerae) 		PF01522
(Polysacc_deac_1) 		3 ASN A 171
TRP A 173
GLN A 277
 None
 0.94A 1xoqA-4nz5A:
undetectable		 1xoqA-4nz5A:
22.27
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.
4ofe METHYL-CPG-BINDING
DOMAIN PROTEIN 4

(Homo sapiens) 		no annotation 3 ASN A 551
TRP A 438
GLN A 555
 None
 1.31A 1xoqA-4ofeA:
undetectable		 1xoqA-4ofeA:
23.86
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.
4p1x GAMMA-HEMOLYSIN
COMPONENT C

(Staphylococcus
aureus) 		PF07968
(Leukocidin) 		3 ASN B 284
TRP B  25
GLN B  29
 None
 0.94A 1xoqA-4p1xB:
undetectable		 1xoqA-4p1xB:
21.19
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.
4rxl MOLYBDENUM ABC
TRANSPORTER,
PERIPLASMIC
MOLYBDENUM-BINDING
PROTEIN

(Vibrio cholerae) 		PF13531
(SBP_bac_11) 		3 ASN A  80
TRP A  83
GLN A 152
 None
 1.30A 1xoqA-4rxlA:
undetectable		 1xoqA-4rxlA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		3 ASN A 116
TRP A 138
GLN A 149
 None
 1.41A 1xoqA-4u0tA:
undetectable		 1xoqA-4u0tA:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ufc GH95

(Bacteroides
ovatus) 		PF14498
(Glyco_hyd_65N_2) 		3 ASN A 522
TRP A 453
GLN A 586
 None
 1.42A 1xoqA-4ufcA:
undetectable		 1xoqA-4ufcA:
17.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		3 ASN A 567
TRP A 578
GLN A 615
 None
 0.15A 1xoqA-4wziA:
53.0		 1xoqA-4wziA:
48.52
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.
4yjz SCFV H2526

(Homo sapiens) 		PF07686
(V-set) 		3 ASN L  97
TRP L  92
GLN L 262
 None
 1.39A 1xoqA-4yjzL:
undetectable		 1xoqA-4yjzL:
16.94
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.
4zm4 AMINOTRANSFERASE

(Streptomyces
pactum) 		PF00202
(Aminotran_3) 		3 ASN A 193
TRP A 192
GLN A 386
 None
 1.31A 1xoqA-4zm4A:
undetectable		 1xoqA-4zm4A:
21.91
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.
4ztx COBALAMIN-INDEPENDEN
T METHIONINE
SYNTHASE

(Neurospora
crassa) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		3 ASN A 300
TRP A 302
GLN A 580
 None
 1.43A 1xoqA-4ztxA:
undetectable		 1xoqA-4ztxA:
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.
5a30 MITOCHONDRIAL
PROTEIN

(Gallus gallus) 		PF03828
(PAP_assoc) 		3 ASN A 453
TRP A 471
GLN A 383
 None
 1.30A 1xoqA-5a30A:
undetectable		 1xoqA-5a30A:
21.86
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		3 ASN A 598
TRP A 512
GLN A 836
 None
 1.43A 1xoqA-5a55A:
undetectable		 1xoqA-5a55A:
15.28
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.
5ewt EXODEOXYRIBONUCLEASE
III XTH

(Sulfolobus
islandicus) 		PF03372
(Exo_endo_phos) 		3 ASN A 123
TRP A 171
GLN A 167
 None
 1.34A 1xoqA-5ewtA:
undetectable		 1xoqA-5ewtA:
23.65
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.
5f1q PERIPLASMIC
DIPEPTIDE TRANSPORT
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		3 ASN A  62
TRP A 233
GLN A 102
 None
 1.17A 1xoqA-5f1qA:
undetectable		 1xoqA-5f1qA:
19.64
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.
5gs6 NS1 OF ZIKA VIRUS
FROM 2015 BRAZIL
STRAIN

(Zika virus) 		PF00948
(Flavi_NS1) 		3 ASN A 131
TRP A  50
GLN A  85
 None
 1.21A 1xoqA-5gs6A:
undetectable		 1xoqA-5gs6A:
20.16
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.
5gy3 GLUCANASE

(Klebsiella
pneumoniae) 		PF01270
(Glyco_hydro_8) 		3 ASN A  65
TRP A  27
GLN A 125
 None
 1.23A 1xoqA-5gy3A:
undetectable		 1xoqA-5gy3A:
22.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 3 ASN A 826
TRP A 837
GLN A 875
 LLN  A1003 (-4.4A)
None
LLN  A1003 (-3.0A)
 0.31A 1xoqA-5h2rA:
39.3		 1xoqA-5h2rA:
32.68
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.
5hxd PROTEIN MPAA

(Escherichia
coli) 		PF00246
(Peptidase_M14) 		3 ASN A 100
TRP A 106
GLN A 139
 None
 1.43A 1xoqA-5hxdA:
undetectable		 1xoqA-5hxdA:
21.65
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.
5j90 RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12741
(SusD-like) 		3 ASN A 102
TRP A 103
GLN A 490
 None
 1.09A 1xoqA-5j90A:
undetectable		 1xoqA-5j90A:
18.99
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.
5ltm PHENYLALANINE
AMMONIA LYASE

(Anabaena) 		no annotation 3 ASN B 532
TRP B 531
GLN B 536
 None
 1.14A 1xoqA-5ltmB:
undetectable		 1xoqA-5ltmB:
19.78
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.
5moy BOTULINUM NEUROTOXIN
TYPE A

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 ASN A1103
TRP A1014
GLN A1106
 None
 1.29A 1xoqA-5moyA:
undetectable		 1xoqA-5moyA:
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.
5oec GTGE

(Salmonella
enterica) 		no annotation 3 ASN A  44
TRP A  46
GLN A  31
 None
 1.39A 1xoqA-5oecA:
undetectable		 1xoqA-5oecA:
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 3 ASN A 567
TRP A 578
GLN A 615
 9VE  A 801 (-4.1A)
None
9VE  A 801 (-3.2A)
 0.10A 1xoqA-5ohjA:
52.6		 1xoqA-5ohjA:
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.
5or4 CATECHOL OXIDASE

(Aspergillus
oryzae) 		no annotation 3 ASN A 324
TRP A 320
GLN A 331
 None
 1.43A 1xoqA-5or4A:
undetectable		 1xoqA-5or4A:
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.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		3 ASN A 612
TRP A 539
GLN A 605
 None
 1.42A 1xoqA-5tmhA:
undetectable		 1xoqA-5tmhA:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ty0 ELONGATION FACTOR G

(Legionella
pneumophila) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		3 ASN A 129
TRP A 125
GLN A 127
 None
 1.37A 1xoqA-5ty0A:
undetectable		 1xoqA-5ty0A:
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 3 ASN A 304
TRP A 302
GLN A 388
 None
 1.44A 1xoqA-5w21A:
undetectable		 1xoqA-5w21A:
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.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 3 ASN A 321
TRP A 332
GLN A 369
 AKJ  A 601 (-4.3A)
None
AKJ  A 601 (-3.0A)
 0.04A 1xoqA-5wh6A:
55.1		 1xoqA-5wh6A:
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.
5xil PUTATIVE PROLYL-TRNA
SYNTHETASE

(Leishmania
major) 		no annotation 3 ASN A 509
TRP A 511
GLN A 508
 None
 1.42A 1xoqA-5xilA:
undetectable		 1xoqA-5xilA:
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.
5yhq CAPSID PROTEIN VP1

(Enterovirus A) 		no annotation 3 ASN A 223
TRP A 198
GLN A 219
 None
 1.42A 1xoqA-5yhqA:
undetectable		 1xoqA-5yhqA:
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.
6b3r PIEZO-TYPE
MECHANOSENSITIVE ION
CHANNEL COMPONENT 1

(Mus musculus) 		no annotation 3 ASN A1755
TRP A1754
GLN A1748
 None
 1.35A 1xoqA-6b3rA:
undetectable		 1xoqA-6b3rA:
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.
6bbp CYTOHESIN-3,ADP-RIBO
SYLATION FACTOR 6

(Homo sapiens;
Mus musculus) 		no annotation 3 ASN A 458
TRP A 460
GLN A 480
 None
 0.78A 1xoqA-6bbpA:
undetectable		 1xoqA-6bbpA:
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.
6cfz ASK1
DAD4
HSK3

(Chaetomium
thermophilum;
Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
no annotation
no annotation 		3 ASN E  43
TRP A  62
GLN G  55
 None
 1.09A 1xoqA-6cfzE:
undetectable		 1xoqA-6cfzE:
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.
6f36 MITOCHONDRIAL ATP
SYNTHASE SUBUNIT 6
MITOCHONDRIAL ATP
SYNTHASE SUBUNIT
ASA6

(Polytomella sp.
Pringsheim
198.80;
Polytomella sp.
Pringsheim
198.80) 		no annotation
no annotation 		3 ASN M 171
TRP N  85
GLN N  93
 None
 1.24A 1xoqA-6f36M:
undetectable		 1xoqA-6f36M:
undetectable