SIMILAR PATTERNS OF AMINO ACIDS FOR 3CR4_X_PNTX101_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.
1cw0 PROTEIN (DNA
MISMATCH
ENDONUCLEASE)


(Escherichia
coli)
PF03852
(Vsr)
3 CYH A  73
HIS A  72
PHE A  76
ZN  A 201 (-2.3A)
None
None
0.89A 3cr4X-1cw0A:
undetectable
3cr4X-1cw0A:
17.31
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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II


(Synechocystis
sp. PCC 6803)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
3 CYH A  83
HIS A  79
PHE A  80
None
1.18A 3cr4X-1e5mA:
0.0
3cr4X-1e5mA:
11.30
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.
1eyw PHOSPHOTRIESTERASE

(Brevundimonas
diminuta)
PF02126
(PTE)
3 CYH A  59
HIS A  57
PHE A 306
None
ZN  A 401 (-3.3A)
TEN  A 403 (-4.4A)
0.92A 3cr4X-1eywA:
undetectable
3cr4X-1eywA:
13.76
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.
1foe T-LYMPHOMA INVASION
AND METASTASIS
INDUCING PROTEIN 1


(Mus musculus)
PF00169
(PH)
PF00621
(RhoGEF)
3 CYH A1146
HIS A1149
PHE A1145
None
1.07A 3cr4X-1foeA:
1.0
3cr4X-1foeA:
13.53
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.
1j6o TATD-RELATED
DEOXYRIBONUCLEASE


(Thermotoga
maritima)
PF01026
(TatD_DNase)
3 CYH A 202
HIS A   4
PHE A 204
None
1.13A 3cr4X-1j6oA:
undetectable
3cr4X-1j6oA:
17.04
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.
1lwd ISOCITRATE
DEHYDROGENASE


(Sus scrofa)
PF00180
(Iso_dh)
3 CYH A 196
HIS A 194
PHE A 197
None
1.14A 3cr4X-1lwdA:
undetectable
3cr4X-1lwdA:
12.05
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.
1o5h FORMIMINOTETRAHYDROF
OLATE CYCLODEAMINASE


(Thermotoga
maritima)
PF04961
(FTCD_C)
3 CYH A 145
HIS A 146
PHE A 149
None
0.98A 3cr4X-1o5hA:
undetectable
3cr4X-1o5hA:
21.32
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.
1odg DNA MISMATCH
ENDONUCLEASE


(Escherichia
coli)
PF03852
(Vsr)
3 CYH A  73
HIS A  72
PHE A  76
ZN  A 200 (-1.9A)
None
None
0.86A 3cr4X-1odgA:
undetectable
3cr4X-1odgA:
19.44
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.
1qf6 THREONYL-TRNA
SYNTHETASE


(Escherichia
coli)
PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD)
3 CYH A 193
HIS A 194
PHE A 196
None
1.23A 3cr4X-1qf6A:
0.0
3cr4X-1qf6A:
9.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qls S100C PROTEIN

(Sus scrofa)
PF00036
(EF-hand_1)
PF01023
(S_100)
3 CYH A  89
HIS A  90
PHE A  93
None
1.00A 3cr4X-1qlsA:
13.6
3cr4X-1qlsA:
35.42
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.
1rxt GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE 1


(Homo sapiens)
PF01233
(NMT)
PF02799
(NMT_C)
3 CYH A 135
HIS A 134
PHE A 148
None
1.20A 3cr4X-1rxtA:
undetectable
3cr4X-1rxtA:
9.20
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.
1tke THREONYL-TRNA
SYNTHETASE


(Escherichia
coli)
PF02824
(TGS)
PF07973
(tRNA_SAD)
3 CYH A 193
HIS A 194
PHE A 196
None
1.09A 3cr4X-1tkeA:
undetectable
3cr4X-1tkeA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vjn ZN-DEPENDENT
HYDROLASE OF
METALLO-BETA-LACTAMA
SE SUPERFAMILY
TM0207


(Thermotoga
maritima)
PF13483
(Lactamase_B_3)
3 CYH A 107
HIS A 108
PHE A  99
None
0.82A 3cr4X-1vjnA:
undetectable
3cr4X-1vjnA:
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.
1x4k SKELETAL MUSCLE
LIM-PROTEIN 3


(Homo sapiens)
PF00412
(LIM)
3 CYH A  36
HIS A  37
PHE A  34
ZN  A 401 (-2.3A)
None
None
1.14A 3cr4X-1x4kA:
undetectable
3cr4X-1x4kA:
17.53
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.
1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE


(Plasmodium
falciparum)
PF01242
(PTPS)
3 CYH A  27
HIS A  29
PHE A  82
None
ZN  A 174 ( 3.5A)
None
0.95A 3cr4X-1y13A:
undetectable
3cr4X-1y13A:
20.12
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.
1ygg PHOSPHOENOLPYRUVATE
CARBOXYKINASE


(Actinobacillus
succinogenes)
PF01293
(PEPCK_ATP)
3 CYH A 408
HIS A 232
PHE A 247
None
1.18A 3cr4X-1yggA:
0.0
3cr4X-1yggA:
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.
1ykw RUBISCO-LIKE PROTEIN

(Chlorobaculum
tepidum)
PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N)
3 CYH A 103
HIS A 102
PHE A 105
None
1.12A 3cr4X-1ykwA:
undetectable
3cr4X-1ykwA:
10.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zb1 BRO1 PROTEIN

(Saccharomyces
cerevisiae)
PF03097
(BRO1)
3 CYH A 245
HIS A 248
PHE A 288
None
1.09A 3cr4X-1zb1A:
0.0
3cr4X-1zb1A:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a0s 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE


(Plasmodium
vivax)
PF01242
(PTPS)
3 CYH A  34
HIS A  36
PHE A  89
None
ZN  A 281 ( 3.5A)
None
0.99A 3cr4X-2a0sA:
undetectable
3cr4X-2a0sA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2con NIN ONE BINDING
PROTEIN


(Mus musculus)
PF08772
(NOB1_Zn_bind)
3 CYH A  21
HIS A  19
PHE A  22
ZN  A 201 (-2.3A)
None
None
0.89A 3cr4X-2conA:
undetectable
3cr4X-2conA:
15.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ibu ACETYL-COA
ACETYLTRANSFERASE


(Homo sapiens)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
3 CYH A 196
HIS A 192
PHE A 356
None
COA  A6001 (-4.5A)
COA  A6001 (-4.5A)
1.21A 3cr4X-2ibuA:
0.0
3cr4X-2ibuA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2idv EUKARYOTIC
TRANSLATION
INITIATION FACTOR
4E-1


(Triticum
aestivum)
PF01652
(IF4E)
3 CYH A  99
HIS A  98
PHE A 100
None
1.15A 3cr4X-2idvA:
undetectable
3cr4X-2idvA:
21.43
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.
2j7q MCMV TEGUMENT
PROTEIN M48 ENCODED
UBIQUITIN- SPECIFIC
PROTEASE, M48USP


(Murid
betaherpesvirus
1)
PF04843
(Herpes_teg_N)
3 CYH A  34
HIS A  32
PHE A 200
None
1.14A 3cr4X-2j7qA:
0.0
3cr4X-2j7qA:
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.
2kkn UNCHARACTERIZED
PROTEIN


(Thermotoga
maritima)
PF12850
(Metallophos_2)
3 CYH A  87
HIS A  88
PHE A  73
None
1.20A 3cr4X-2kknA:
undetectable
3cr4X-2kknA:
20.77
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.
2kv1 METHIONINE-R-SULFOXI
DE REDUCTASE B1


(Mus musculus)
PF01641
(SelR)
3 CYH A  95
HIS A  80
PHE A  97
None
0.73A 3cr4X-2kv1A:
undetectable
3cr4X-2kv1A:
23.62
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.
2m89 AHA1 DOMAIN PROTEIN

(Colwellia
psychrerythraea)
PF08327
(AHSA1)
3 CYH A 114
HIS A 113
PHE A 110
None
1.21A 3cr4X-2m89A:
undetectable
3cr4X-2m89A:
21.71
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.
2n47 SLR1183 PROTEIN

(Synechocystis
sp. PCC 6803)
PF13649
(Methyltransf_25)
3 CYH A 103
HIS A 104
PHE A 102
None
1.23A 3cr4X-2n47A:
undetectable
3cr4X-2n47A:
14.78
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.
2pmo SER/THR PROTEIN
KINASE


(Plasmodium
falciparum)
PF00069
(Pkinase)
3 CYH X 169
HIS X 170
PHE X 159
None
0.65A 3cr4X-2pmoX:
undetectable
3cr4X-2pmoX:
15.67
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.
2v9i RHAMNULOSE-1-PHOSPHA
TE ALDOLASE


(Escherichia
coli)
PF00596
(Aldolase_II)
3 CYH A 126
HIS A 125
PHE A 122
None
1.20A 3cr4X-2v9iA:
undetectable
3cr4X-2v9iA:
17.23
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.
2vdu TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE-ASSOCI
ATED WD REPEAT
PROTEIN TRM82


(Saccharomyces
cerevisiae)
no annotation 3 CYH B 230
HIS B 226
PHE B 231
None
1.00A 3cr4X-2vduB:
undetectable
3cr4X-2vduB:
11.78
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.
2vsx EUKARYOTIC
INITIATION FACTOR 4F
SUBUNIT P150


(Saccharomyces
cerevisiae)
PF02854
(MIF4G)
3 CYH E 703
HIS E 704
PHE E 707
None
1.04A 3cr4X-2vsxE:
undetectable
3cr4X-2vsxE:
15.14
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1


(Gracilariopsis
lemaneiformis)
PF01055
(Glyco_hydro_31)
3 CYH A 819
HIS A 806
PHE A 875
None
1.13A 3cr4X-2x2iA:
undetectable
3cr4X-2x2iA:
6.82
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.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT


(Desulfomicrobium
norvegicum)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
3 CYH A  85
HIS A  64
PHE A  91
None
1.13A 3cr4X-2xsjA:
undetectable
3cr4X-2xsjA:
11.27
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.
2xxz LYSINE-SPECIFIC
DEMETHYLASE 6B


(Homo sapiens)
PF02373
(JmjC)
3 CYH A1422
HIS A1425
PHE A1421
None
0.96A 3cr4X-2xxzA:
undetectable
3cr4X-2xxzA:
13.94
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.
2znm THIOL:DISULFIDE
INTERCHANGE PROTEIN
DSBA


(Neisseria
meningitidis)
PF13462
(Thioredoxin_4)
3 CYH A  37
HIS A  36
PHE A  40
None
1.14A 3cr4X-2znmA:
undetectable
3cr4X-2znmA:
17.20
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.
3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE


(Pyrococcus
horikoshii)
PF00150
(Cellulase)
3 CYH A 372
HIS A  62
PHE A 374
None
1.18A 3cr4X-3axxA:
undetectable
3cr4X-3axxA:
9.71
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.
3bfo MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1 (ISOFORM
2)


(Homo sapiens)
PF13895
(Ig_2)
3 CYH A 290
HIS A 291
PHE A 261
None
0.71A 3cr4X-3bfoA:
undetectable
3cr4X-3bfoA:
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.
3cuq VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 25


(Homo sapiens)
PF05871
(ESCRT-II)
3 CYH C  41
HIS C  44
PHE C   5
None
1.14A 3cr4X-3cuqC:
undetectable
3cr4X-3cuqC:
22.73
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.
3dwl ACTIN-RELATED
PROTEIN 2/3 COMPLEX
SUBUNIT 2


(Schizosaccharomyces
pombe)
PF04045
(P34-Arc)
3 CYH D 258
HIS D 249
PHE D 250
None
1.17A 3cr4X-3dwlD:
0.6
3cr4X-3dwlD:
15.14
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.
3dxq CHOLINE/ETHANOLAMINE
KINASE FAMILY
PROTEIN


(Mesorhizobium
loti)
PF01633
(Choline_kinase)
3 CYH A 175
HIS A 176
PHE A 113
None
0.75A 3cr4X-3dxqA:
undetectable
3cr4X-3dxqA:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gs9 PROTEIN GP18

(Listeria
monocytogenes)
PF06605
(Prophage_tail)
3 CYH A 113
HIS A 116
PHE A 108
None
1.11A 3cr4X-3gs9A:
undetectable
3cr4X-3gs9A:
11.21
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.
3hhj MUTATOR MUTT PROTEIN

(Bartonella
henselae)
PF14815
(NUDIX_4)
3 CYH A 114
HIS A 116
PHE A  93
None
0.88A 3cr4X-3hhjA:
undetectable
3cr4X-3hhjA:
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.
3hq0 CATECHOL
2,3-DIOXYGENASE


(Pseudomonas
alkylphenolica)
PF00903
(Glyoxalase)
3 CYH A 254
HIS A 248
PHE A 269
None
0.91A 3cr4X-3hq0A:
undetectable
3cr4X-3hq0A:
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.
3ibt 1H-3-HYDROXY-4-OXOQU
INOLINE
2,4-DIOXYGENASE


(Pseudomonas
putida)
PF12697
(Abhydrolase_6)
3 CYH A 209
HIS A 210
PHE A 234
None
1.13A 3cr4X-3ibtA:
undetectable
3cr4X-3ibtA:
15.15
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.
3k0w MUCOSA-ASSOCIATED
LYMPHOID TISSUE
LYMPHOMA
TRANSLOCATION
PROTEIN 1, ISOFORM 2


(Homo sapiens)
PF13895
(Ig_2)
PF13927
(Ig_3)
3 CYH A 290
HIS A 291
PHE A 261
None
0.85A 3cr4X-3k0wA:
undetectable
3cr4X-3k0wA:
20.30
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.
3k8k ALPHA-AMYLASE, SUSG

(Bacteroides
thetaiotaomicron)
PF00128
(Alpha-amylase)
3 CYH A 346
HIS A 344
PHE A 345
None
None
ACT  A 961 ( 4.2A)
1.17A 3cr4X-3k8kA:
undetectable
3cr4X-3k8kA:
8.07
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.
3l3s ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN


(Ruegeria
pomeroyi)
PF00378
(ECH_1)
3 CYH A  65
HIS A  29
PHE A  64
None
1.21A 3cr4X-3l3sA:
undetectable
3cr4X-3l3sA:
15.21
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.
3n29 CARBOXYNORSPERMIDINE
DECARBOXYLASE


(Campylobacter
jejuni)
PF00278
(Orn_DAP_Arg_deC)
3 CYH A 124
HIS A 164
PHE A 165
None
PLP  A1001 ( 4.8A)
None
0.95A 3cr4X-3n29A:
undetectable
3cr4X-3n29A:
13.56
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.
3n3z HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A


(Homo sapiens)
PF00233
(PDEase_I)
3 CYH A 241
HIS A 243
PHE A 240
None
1.10A 3cr4X-3n3zA:
0.0
3cr4X-3n3zA:
17.29
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.
3nic ECO29KIR

(Escherichia
coli)
PF09517
(RE_Eco29kI)
3 CYH A 125
HIS A  35
PHE A 127
None
1.03A 3cr4X-3nicA:
undetectable
3cr4X-3nicA:
17.49
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.
3or2 SULFITE REDCUTASE
SUBUNIT ALPHA


(Desulfovibrio
gigas)
PF01077
(NIR_SIR)
3 CYH A  85
HIS A  64
PHE A  91
None
1.06A 3cr4X-3or2A:
undetectable
3cr4X-3or2A:
12.14
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.
3qi3 HIGH AFFINITY
CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 9A


(Homo sapiens)
PF00233
(PDEase_I)
3 CYH A 241
HIS A 243
PHE A 240
None
1.11A 3cr4X-3qi3A:
undetectable
3cr4X-3qi3A:
14.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qjg EPIDERMIN
BIOSYNTHESIS PROTEIN
EPID


(Staphylococcus
aureus)
PF02441
(Flavoprotein)
3 CYH A 103
HIS A 104
PHE A 107
None
0.85A 3cr4X-3qjgA:
undetectable
3cr4X-3qjgA:
17.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r2j ALPHA/BETA-HYDROLASE
-LIKE PROTEIN


(Leishmania
infantum)
PF00857
(Isochorismatase)
3 CYH A  80
HIS A  85
PHE A  82
None
1.14A 3cr4X-3r2jA:
undetectable
3cr4X-3r2jA:
14.91
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.
3txo PROTEIN KINASE C ETA
TYPE


(Homo sapiens)
PF00069
(Pkinase)
PF00433
(Pkinase_C)
3 CYH A 493
HIS A 492
PHE A 415
None
0.67A 3cr4X-3txoA:
1.1
3cr4X-3txoA:
14.57
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE


(Pyrococcus
horikoshii)
PF00150
(Cellulase)
3 CYH A 372
HIS A  62
PHE A 374
None
1.08A 3cr4X-3w6mA:
undetectable
3cr4X-3w6mA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bqh UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE


(Trypanosoma
brucei)
PF01704
(UDPGP)
3 CYH A 148
HIS A 147
PHE A 144
None
1.07A 3cr4X-4bqhA:
undetectable
3cr4X-4bqhA:
10.80
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.
4ce4 MRPL22
MRPL39


(Sus scrofa;
Sus scrofa)
PF00237
(Ribosomal_L22)
no annotation
3 CYH c  88
HIS c  91
PHE W 134
None
1.23A 3cr4X-4ce4c:
undetectable
3cr4X-4ce4c:
14.62
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.
4d0n A-KINASE ANCHOR
PROTEIN 13


(Homo sapiens)
PF00169
(PH)
PF00621
(RhoGEF)
3 CYH B2105
HIS B2108
PHE B2104
None
1.05A 3cr4X-4d0nB:
1.1
3cr4X-4d0nB:
13.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d0o A-KINASE ANCHOR
PROTEIN 13


(Homo sapiens)
PF00621
(RhoGEF)
3 CYH A2105
HIS A2108
PHE A2104
None
1.13A 3cr4X-4d0oA:
1.1
3cr4X-4d0oA:
20.19
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.
4eyu LYSINE-SPECIFIC
DEMETHYLASE 6B


(Mus musculus)
PF02373
(JmjC)
3 CYH A1425
HIS A1428
PHE A1424
None
1.07A 3cr4X-4eyuA:
undetectable
3cr4X-4eyuA:
10.47
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.
4f5x RNA-DIRECTED RNA
POLYMERASE


(Rotavirus A)
PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1)
3 CYH W  38
HIS W  42
PHE W  41
None
0.89A 3cr4X-4f5xW:
undetectable
3cr4X-4f5xW:
7.02
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.
4fgm AMINOPEPTIDASE N
FAMILY PROTEIN


(Idiomarina
loihiensis)
PF05299
(Peptidase_M61)
PF13180
(PDZ_2)
3 CYH A 272
HIS A 273
PHE A 276
None
ZN  A 602 ( 3.4A)
None
0.93A 3cr4X-4fgmA:
undetectable
3cr4X-4fgmA:
9.21
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.
4i6v AMIDOHYDROLASE 2

(Planctopirus
limnophila)
PF02614
(UxaC)
3 CYH A 264
HIS A 267
PHE A 263
None
1.14A 3cr4X-4i6vA:
undetectable
3cr4X-4i6vA:
12.25
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.
4joi CST COMPLEX SUBUNIT
STN1


(Homo sapiens)
PF01336
(tRNA_anti-codon)
PF09170
(STN1_2)
3 CYH A  88
HIS A 148
PHE A  72
None
0.95A 3cr4X-4joiA:
undetectable
3cr4X-4joiA:
18.67
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.
4keq 4-PYRIDOXOLACTONASE

(Mesorhizobium
japonicum)
PF00753
(Lactamase_B)
3 CYH A 102
HIS A 101
PHE A  99
None
ZN  A 301 (-3.2A)
5PN  A 303 (-4.4A)
1.10A 3cr4X-4keqA:
undetectable
3cr4X-4keqA:
16.36
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.
4n4g ZINC FINGER MYND
DOMAIN-CONTAINING
PROTEIN 11


(Mus musculus)
PF00439
(Bromodomain)
PF00855
(PWWP)
3 CYH A 274
HIS A 353
PHE A 273
None
1.20A 3cr4X-4n4gA:
undetectable
3cr4X-4n4gA:
16.53
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.
4ns5 ZINC FINGER MYND
DOMAIN-CONTAINING
PROTEIN 11


(Homo sapiens)
PF00439
(Bromodomain)
PF00855
(PWWP)
3 CYH A 274
HIS A 353
PHE A 273
None
1.20A 3cr4X-4ns5A:
undetectable
3cr4X-4ns5A:
18.78
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.
4o1j CARBONIC ANHYDRASE

(Sordaria
macrospora)
PF00484
(Pro_CA)
3 CYH A  99
HIS A 101
PHE A 184
None
ZN  A 301 (-3.4A)
None
1.17A 3cr4X-4o1jA:
undetectable
3cr4X-4o1jA:
15.89
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.
4ohc OROTATE
PHOSPHORIBOSYLTRANSF
ERASE


(Burkholderia
cenocepacia)
PF00156
(Pribosyltran)
3 CYH A 156
HIS A 180
PHE A 157
None
1.15A 3cr4X-4ohcA:
undetectable
3cr4X-4ohcA:
17.43
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.
4pay SIDC, INTERAPTIN

(Legionella
pneumophila)
no annotation 3 CYH A 468
HIS A 469
PHE A 460
None
1.07A 3cr4X-4payA:
undetectable
3cr4X-4payA:
10.75
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.
4q2h PROLINE RACEMASE
PROTEIN


(Agrobacterium
tumefaciens)
PF05544
(Pro_racemase)
3 CYH A 171
HIS A 152
PHE A 150
None
1.13A 3cr4X-4q2hA:
undetectable
3cr4X-4q2hA:
12.29
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.
4qb5 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE


(Rhodoferax
ferrireducens)
PF00903
(Glyoxalase)
3 CYH A  76
HIS A  80
PHE A  79
None
1.04A 3cr4X-4qb5A:
undetectable
3cr4X-4qb5A:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE


(Caenorhabditis
elegans)
PF05693
(Glycogen_syn)
3 CYH A 289
HIS A 286
PHE A 287
None
1.06A 3cr4X-4qlbA:
0.9
3cr4X-4qlbA:
8.48
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.
4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT


(Aquincola
tertiaricarbonis)
PF01642
(MM_CoA_mutase)
3 CYH A 331
HIS A 366
PHE A 288
None
5AD  A 803 ( 4.8A)
3KK  A 802 ( 4.1A)
1.20A 3cr4X-4r3uA:
undetectable
3cr4X-4r3uA:
9.42
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.
4trg SIDC

(Legionella
pneumophila)
no annotation 3 CYH A 468
HIS A 469
PHE A 460
None
1.05A 3cr4X-4trgA:
undetectable
3cr4X-4trgA:
12.43
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.
4u9v N-ALPHA-ACETYLTRANSF
ERASE 40


(Homo sapiens)
PF00583
(Acetyltransf_1)
3 CYH B 137
HIS B 123
PHE B 124
ACO  B 301 ( 4.3A)
None
None
1.14A 3cr4X-4u9vB:
undetectable
3cr4X-4u9vB:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wyq ENDORIBONUCLEASE
DICER
RISC-LOADING COMPLEX
SUBUNIT TARBP2


(Homo sapiens;
Homo sapiens)
no annotation
PF16482
(Staufen_C)
3 CYH B 337
HIS B 338
PHE A 353
None
1.00A 3cr4X-4wyqB:
undetectable
3cr4X-4wyqB:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xsv ETHANOLAMINE-PHOSPHA
TE
CYTIDYLYLTRANSFERASE


(Homo sapiens)
PF01467
(CTP_transf_like)
3 CYH A 306
HIS A 307
PHE A 331
None
C5P  A 401 (-3.4A)
None
1.18A 3cr4X-4xsvA:
undetectable
3cr4X-4xsvA:
13.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yh8 SPLICING FACTOR U2AF
23 KDA SUBUNIT


(Schizosaccharomyces
pombe)
PF00076
(RRM_1)
PF00642
(zf-CCCH)
3 CYH A  27
HIS A 102
PHE A  20
ZN  A 301 (-2.4A)
None
None
1.14A 3cr4X-4yh8A:
undetectable
3cr4X-4yh8A:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z61 PHYTOSULFOKINE
RECEPTOR 1


(Daucus carota)
PF00560
(LRR_1)
PF13855
(LRR_8)
3 CYH A 399
HIS A 398
PHE A 424
None
0.85A 3cr4X-4z61A:
undetectable
3cr4X-4z61A:
8.64
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.
4zuz SIDC

(Legionella
pneumophila)
no annotation 3 CYH A 469
HIS A 470
PHE A 461
None
1.14A 3cr4X-4zuzA:
undetectable
3cr4X-4zuzA:
7.74
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.
5a30 MITOCHONDRIAL
PROTEIN


(Gallus gallus)
PF03828
(PAP_assoc)
3 CYH A 413
HIS A 406
PHE A 415
None
0.70A 3cr4X-5a30A:
1.1
3cr4X-5a30A:
10.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bqd T-BOX TRANSCRIPTION
FACTOR TBX5


(Homo sapiens)
PF00907
(T-box)
3 CYH A 202
HIS A 184
PHE A 201
None
1.14A 3cr4X-5bqdA:
undetectable
3cr4X-5bqdA:
17.84
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.
5bsw 4-COUMARATE--COA
LIGASE 2


(Nicotiana
tabacum)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
3 CYH A  31
HIS A  28
PHE A  32
None
1.11A 3cr4X-5bswA:
undetectable
3cr4X-5bswA:
9.80
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.
5din LIGAND OF NUMB
PROTEIN X 2


(Homo sapiens)
PF13923
(zf-C3HC4_2)
3 CYH A  31
HIS A  32
PHE A  50
ZN  A 201 (-2.3A)
None
None
1.14A 3cr4X-5dinA:
undetectable
3cr4X-5dinA:
17.19
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.
5ful PROTEIN ARGININE
N-METHYLTRANSFERASE
2


(Mus musculus)
PF05175
(MTS)
3 CYH A 167
HIS A 170
PHE A 166
None
1.21A 3cr4X-5fulA:
undetectable
3cr4X-5fulA:
13.70
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.
5h7s E3 UBIQUITIN-PROTEIN
LIGASE LNX


(Homo sapiens)
no annotation 3 CYH D 101
HIS D 100
PHE D  97
ZN  D 204 (-2.3A)
None
None
1.00A 3cr4X-5h7sD:
undetectable
3cr4X-5h7sD:
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.
5hxf 3C PROTEASE

(Enterovirus A)
PF00548
(Peptidase_C3)
3 CYH A 172
HIS A 162
PHE A 171
None
AG7  A 201 (-4.0A)
AG7  A 201 (-4.1A)
1.14A 3cr4X-5hxfA:
undetectable
3cr4X-5hxfA:
16.76
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.
5jm7 AEROBACTIN SYNTHASE
IUCA


(Klebsiella
pneumoniae)
PF04183
(IucA_IucC)
PF06276
(FhuF)
3 CYH A 102
HIS A 106
PHE A 105
None
0.94A 3cr4X-5jm7A:
undetectable
3cr4X-5jm7A:
10.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k8d COAGULATION FACTOR
VIII


(Homo sapiens)
PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3)
3 CYH A 310
HIS A 311
PHE A 270
CU  A 808 (-2.2A)
None
None
0.93A 3cr4X-5k8dA:
undetectable
3cr4X-5k8dA:
9.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lst ATP-DEPENDENT DNA
HELICASE Q4


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
3 CYH A 636
HIS A 635
PHE A 637
None
1.15A 3cr4X-5lstA:
undetectable
3cr4X-5lstA:
9.04
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.
5mgv PHENYLALANINE--TRNA
LIGASE,
MITOCHONDRIAL


(Homo sapiens)
PF01409
(tRNA-synt_2d)
PF03147
(FDX-ACB)
3 CYH A 377
HIS A 376
PHE A 333
None
1.17A 3cr4X-5mgvA:
undetectable
3cr4X-5mgvA:
13.23
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.
5mv9 UNCONVENTIONAL
MYOSIN-VIIA


(Homo sapiens)
PF00373
(FERM_M)
PF00784
(MyTH4)
3 CYH A2182
HIS A2168
PHE A2167
None
1.06A 3cr4X-5mv9A:
undetectable
3cr4X-5mv9A:
11.52
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.
5tsc UNCHARACTERIZED
PROTEIN


(Legionella
pneumophila)
no annotation 3 CYH A 177
HIS A 178
PHE A 181
None
0.90A 3cr4X-5tscA:
undetectable
3cr4X-5tscA:
12.53
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.
5ucy TUBULIN ALPHA CHAIN

(Tetrahymena
thermophila)
PF00091
(Tubulin)
PF03953
(Tubulin_C)
3 CYH A  25
HIS A  28
PHE A  24
None
1.02A 3cr4X-5ucyA:
undetectable
3cr4X-5ucyA:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE


(Hydrogenophilus
thermoluteolus)
PF10588
(NADH-G_4Fe-4S_3)
PF13459
(Fer4_15)
PF13510
(Fer2_4)
3 CYH B 105
HIS B 103
PHE B 104
SF4  B 301 (-2.3A)
SF4  B 301 (-3.2A)
None
1.23A 3cr4X-5xfaB:
undetectable
3cr4X-5xfaB:
16.74
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.
5y9d ACYL-COENZYME A
OXIDASE 1


(Yarrowia
lipolytica)
no annotation 3 CYH A 197
HIS A 196
PHE A 115
None
1.00A 3cr4X-5y9dA:
undetectable
3cr4X-5y9dA:
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.
6cnh SERINE/THREONINE-PRO
TEIN KINASE PRP4
HOMOLOG


(Homo sapiens)
no annotation 3 CYH A 750
HIS A 749
PHE A 748
919  A1101 ( 4.4A)
None
None
1.21A 3cr4X-6cnhA:
undetectable
3cr4X-6cnhA:
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.
6cp0 -

(-)
no annotation 3 CYH A 464
HIS A 465
PHE A 456
None
1.22A 3cr4X-6cp0A:
1.2
3cr4X-6cp0A:
undetectable