SIMILAR PATTERNS OF AMINO ACIDS FOR 3W1W_A_CHDA1507_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.
1d8c MALATE SYNTHASE G

(Escherichia
coli) 		PF01274
(Malate_synthase) 		3 ARG A 636
LYS A 392
ARG A 632
 None
MG  A3001 ( 4.0A)
None
 1.15A 3w1wA-1d8cA:
0.4
3w1wB-1d8cA:
0.4		 3w1wA-1d8cA:
19.86
3w1wB-1d8cA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z0a RAS-RELATED PROTEIN
RAB-2A

(Homo sapiens) 		PF00071
(Ras) 		3 ARG A 126
LYS A 120
ARG A  90
 None
GDP  A1200 (-3.4A)
None
 1.44A 3w1wA-1z0aA:
0.4
3w1wB-1z0aA:
0.5		 3w1wA-1z0aA:
19.47
3w1wB-1z0aA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zrt CYTOCHROME B

(Rhodobacter
capsulatus) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		3 ARG C 355
LYS C 122
ARG C 360
 None
 1.03A 3w1wA-1zrtC:
0.0
3w1wB-1zrtC:
0.0		 3w1wA-1zrtC:
20.52
3w1wB-1zrtC:
20.52
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		3 ARG A 638
LYS A 399
ARG A 634
 None
MG  A1000 ( 4.2A)
None
 1.12A 3w1wA-2gq3A:
0.4
3w1wB-2gq3A:
0.3		 3w1wA-2gq3A:
19.75
3w1wB-2gq3A:
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.
2j3m PROLYL-TRNA
SYNTHETASE

(Enterococcus
faecalis) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF04073
(tRNA_edit) 		3 ARG A 183
LYS A  63
ARG A 187
 None
 1.22A 3w1wA-2j3mA:
4.9
3w1wB-2j3mA:
4.7		 3w1wA-2j3mA:
22.00
3w1wB-2j3mA:
22.00
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.
2k40 HOMEOBOX EXPRESSED
IN ES CELLS 1

(Homo sapiens) 		PF00046
(Homeobox) 		3 ARG A  52
LYS A  55
ARG A   5
 None
 1.24A 3w1wA-2k40A:
undetectable
3w1wB-2k40A:
undetectable		 3w1wA-2k40A:
10.73
3w1wB-2k40A:
10.73
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.
2kmu ATP-DEPENDENT DNA
HELICASE Q4

(Homo sapiens) 		PF11719
(Drc1-Sld2) 		3 ARG A  52
LYS A  51
ARG A  21
 None
 1.33A 3w1wA-2kmuA:
undetectable
3w1wB-2kmuA:
undetectable		 3w1wA-2kmuA:
11.01
3w1wB-2kmuA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l72 ACTIN DEPOLYMERIZING
FACTOR, PUTATIVE

(Toxoplasma
gondii) 		PF00241
(Cofilin_ADF) 		3 ARG A  14
LYS A  43
ARG A  21
 None
 1.44A 3w1wA-2l72A:
0.7
3w1wB-2l72A:
0.8		 3w1wA-2l72A:
18.26
3w1wB-2l72A:
18.26
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.
2n2a RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-2

(Homo sapiens) 		no annotation 3 ARG A  35
LYS A  38
ARG A  34
 None
 1.25A 3w1wA-2n2aA:
undetectable
3w1wB-2n2aA:
undetectable		 3w1wA-2n2aA:
9.88
3w1wB-2n2aA:
9.88
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		3 ARG A 120
LYS A 159
ARG A 116
 None
 1.05A 3w1wA-2pajA:
0.0
3w1wB-2pajA:
0.2		 3w1wA-2pajA:
22.20
3w1wB-2pajA:
22.20
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.
2ptf UNCHARACTERIZED
PROTEIN MTH_863

(Methanothermobacter
thermautotrophicus) 		PF04289
(DUF447) 		3 ARG A 135
LYS A 140
ARG A 137
 None
 1.47A 3w1wA-2ptfA:
0.0
3w1wB-2ptfA:
0.0		 3w1wA-2ptfA:
21.51
3w1wB-2ptfA:
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.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		3 ARG A  44
LYS A  48
ARG A 343
 None
 1.37A 3w1wA-2qezA:
0.0
3w1wB-2qezA:
0.0		 3w1wA-2qezA:
21.52
3w1wB-2qezA:
21.52
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		3 ARG A  44
LYS A  48
ARG A 343
 None
 1.33A 3w1wA-3anyA:
undetectable
3w1wB-3anyA:
undetectable		 3w1wA-3anyA:
21.48
3w1wB-3anyA:
21.48
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.
3dcz PUTATIVE RNFG
SUBUNIT OF ELECTRON
TRANSPORT COMPLEX

(Thermotoga
maritima) 		PF04205
(FMN_bind) 		3 ARG A 157
LYS A 187
ARG A 156
 None
None
EDO  A   3 (-3.4A)
 1.29A 3w1wA-3dczA:
undetectable
3w1wB-3dczA:
undetectable		 3w1wA-3dczA:
22.35
3w1wB-3dczA:
22.35
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.
3ech MULTIDRUG RESISTANCE
OPERON REPRESSOR
25-MER FRAGMENT OF
PROTEIN ARMR

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF01047
(MarR)
no annotation 		3 ARG C  42
LYS A  44
ARG C  41
 None
 1.26A 3w1wA-3echC:
undetectable
3w1wB-3echC:
undetectable		 3w1wA-3echC:
5.67
3w1wB-3echC:
5.67
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN
RESPIRATORY NITRATE
REDUCTASE 1 GAMMA
CHAIN

(Escherichia
coli;
Escherichia
coli) 		PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C)
PF02665
(Nitrate_red_gam) 		3 ARG C  36
LYS B 240
ARG B 218
 None
None
AGA  C 309 ( 3.8A)
 1.21A 3w1wA-3egwC:
undetectable
3w1wB-3egwC:
undetectable		 3w1wA-3egwC:
19.52
3w1wB-3egwC:
19.52
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.
3fe5 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Bos taurus) 		PF06052
(3-HAO) 		3 ARG A 108
LYS A  33
ARG A 107
 CSO  A 134 ( 4.3A)
None
None
 1.35A 3w1wA-3fe5A:
undetectable
3w1wB-3fe5A:
undetectable		 3w1wA-3fe5A:
20.79
3w1wB-3fe5A:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihj ALANINE
AMINOTRANSFERASE 2

(Homo sapiens) 		PF00155
(Aminotran_1_2) 		3 ARG A 279
LYS A 318
ARG A 312
 None
PO4  A   2 (-3.5A)
PO4  A   2 (-3.3A)
 0.75A 3w1wA-3ihjA:
3.0
3w1wB-3ihjA:
3.5		 3w1wA-3ihjA:
24.81
3w1wB-3ihjA:
24.81
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.
3j7y ML49

(Homo sapiens) 		no annotation 3 ARG g  87
LYS g 112
ARG g  90
 None
A  A1881 ( 3.1A)
C  A1880 ( 4.1A)
 1.43A 3w1wA-3j7yg:
undetectable
3w1wB-3j7yg:
undetectable		 3w1wA-3j7yg:
17.47
3w1wB-3j7yg:
17.47
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.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		3 ARG B 398
LYS B 432
ARG B 395
 None
 1.28A 3w1wA-3k70B:
2.9
3w1wB-3k70B:
3.5		 3w1wA-3k70B:
15.37
3w1wB-3k70B:
15.37
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.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Archaeoglobus
fulgidus) 		PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		3 ARG B 277
LYS B 271
ARG B 276
 None
SRM  B 570 ( 4.1A)
SRM  B 570 (-2.6A)
 1.04A 3w1wA-3mm5B:
undetectable
3w1wB-3mm5B:
undetectable		 3w1wA-3mm5B:
20.80
3w1wB-3mm5B:
20.80
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.
3q15 RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE H

(Bacillus
subtilis) 		PF13176
(TPR_7) 		3 ARG A 232
LYS A 194
ARG A 338
 None
 0.83A 3w1wA-3q15A:
undetectable
3w1wB-3q15A:
undetectable		 3w1wA-3q15A:
21.88
3w1wB-3q15A:
21.88
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.
3qml 78 KDA
GLUCOSE-REGULATED
PROTEIN HOMOLOG
NUCLEOTIDE EXCHANGE
FACTOR SIL1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00012
(HSP70)
PF16782
(SIL1) 		3 ARG A 326
LYS C 285
ARG C 205
 None
 1.28A 3w1wA-3qmlA:
undetectable
3w1wB-3qmlA:
undetectable		 3w1wA-3qmlA:
22.48
3w1wB-3qmlA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sg1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
anthracis) 		PF00275
(EPSP_synthase) 		3 ARG A 372
LYS A  22
ARG A 398
 None
 1.42A 3w1wA-3sg1A:
undetectable
3w1wB-3sg1A:
undetectable		 3w1wA-3sg1A:
21.23
3w1wB-3sg1A:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vmw PECTATE LYASE

(Bacillus sp.
N16-5) 		PF00544
(Pec_lyase_C) 		3 ARG A  98
LYS A  74
ARG A 160
 None
SO4  A 906 (-4.5A)
SO4  A 907 (-3.3A)
 1.47A 3w1wA-3vmwA:
undetectable
3w1wB-3vmwA:
undetectable		 3w1wA-3vmwA:
21.69
3w1wB-3vmwA:
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.
3wov OLIGOSACCHARYL
TRANSFERASE

(Pyrococcus
abyssi) 		no annotation 3 ARG A 590
LYS A 890
ARG A 591
 None
 1.02A 3w1wA-3wovA:
undetectable
3w1wB-3wovA:
undetectable		 3w1wA-3wovA:
21.75
3w1wB-3wovA:
21.75
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.
4cab CATALASE

(Deinococcus
radiodurans) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		3 ARG A 107
LYS A 109
ARG A 432
 None
 1.43A 3w1wA-4cabA:
undetectable
3w1wB-4cabA:
undetectable		 3w1wA-4cabA:
20.75
3w1wB-4cabA:
20.75
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.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		3 ARG A  68
LYS A 392
ARG A 426
 None
 1.20A 3w1wA-4duuA:
undetectable
3w1wB-4duuA:
undetectable		 3w1wA-4duuA:
18.69
3w1wB-4duuA:
18.69
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.
4ex4 MALATE SYNTHASE G

(Mycobacterium
leprae) 		PF01274
(Malate_synthase) 		3 ARG A 643
LYS A 404
ARG A 639
 None
MG  A 801 ( 4.0A)
None
 1.10A 3w1wA-4ex4A:
undetectable
3w1wB-4ex4A:
undetectable		 3w1wA-4ex4A:
19.45
3w1wB-4ex4A:
19.45
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.
4gxb SORTING NEXIN-17

(Homo sapiens) 		no annotation 3 ARG A 234
LYS A 168
ARG A 273
 None
 1.37A 3w1wA-4gxbA:
undetectable
3w1wB-4gxbA:
undetectable		 3w1wA-4gxbA:
22.05
3w1wB-4gxbA:
22.05
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.
4hrt GLOBIN-2 A CHAIN
HEMOGLOBIN B CHAIN

(Scapharca
inaequivalvis;
Scapharca
inaequivalvis) 		PF00042
(Globin)
PF00042
(Globin) 		3 ARG A  53
LYS B  98
ARG A 104
 HEM  A 201 (-3.8A)
HEM  A 201 (-2.7A)
HEM  A 201 (-3.0A)
 1.43A 3w1wA-4hrtA:
undetectable
3w1wB-4hrtA:
undetectable		 3w1wA-4hrtA:
15.59
3w1wB-4hrtA:
15.59
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		3 ARG A 423
LYS A 423
ARG A 412
 None
 1.39A 3w1wA-4k0eA:
undetectable
3w1wB-4k0eA:
undetectable		 3w1wA-4k0eA:
16.01
3w1wB-4k0eA:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ua3 UNCHARACTERIZED
N-ACETYLTRANSFERASE
C825.04C

(Schizosaccharomyces
pombe) 		PF00583
(Acetyltransf_1) 		3 ARG A 145
LYS A  23
ARG A 146
 None
 1.41A 3w1wA-4ua3A:
undetectable
3w1wB-4ua3A:
undetectable		 3w1wA-4ua3A:
18.70
3w1wB-4ua3A:
18.70
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.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		3 ARG A 792
LYS A 763
ARG A 796
 G  C  46 ( 4.7A)
None
None
 1.45A 3w1wA-5ah5A:
undetectable
3w1wB-5ah5A:
1.6		 3w1wA-5ah5A:
18.66
3w1wB-5ah5A:
18.66
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.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN
NEQ263

(Nanoarchaeum
equitans;
Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn)
PF00006
(ATP-synt_ab) 		3 ARG A 253
LYS B 129
ARG B 104
 ANP  A 601 ( 3.9A)
None
None
 0.96A 3w1wA-5bn4A:
2.0
3w1wB-5bn4A:
2.1		 3w1wA-5bn4A:
19.66
3w1wB-5bn4A:
19.66
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.
5dkp ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Neisseria
meningitidis) 		PF00574
(CLP_protease) 		3 ARG A  27
LYS A  30
ARG A  20
 None
 1.39A 3w1wA-5dkpA:
undetectable
3w1wB-5dkpA:
undetectable		 3w1wA-5dkpA:
20.74
3w1wB-5dkpA:
20.74
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.
5fir 5'-3'
EXORIBONUCLEASE 2
HOMOLOG

(Caenorhabditis
elegans) 		PF03159
(XRN_N) 		3 ARG A 406
LYS A 666
ARG A 355
 None
 1.38A 3w1wA-5firA:
2.8
3w1wB-5firA:
3.2		 3w1wA-5firA:
19.07
3w1wB-5firA:
19.07
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.
5fmf TRANSCRIPTION
INITIATION FACTOR
IIE SUBUNIT ALPHA,
TFA1

(Saccharomyces
cerevisiae) 		PF02002
(TFIIE_alpha)
PF08271
(TF_Zn_Ribbon) 		3 ARG R  65
LYS R  90
ARG R  62
 None
 1.47A 3w1wA-5fmfR:
undetectable
3w1wB-5fmfR:
undetectable		 3w1wA-5fmfR:
19.83
3w1wB-5fmfR:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g1q CLP PROTEASE
PROTEOLYTIC SUBUNIT
P

(Francisella
tularensis) 		PF00574
(CLP_protease) 		3 ARG A  26
LYS A  29
ARG A  19
 None
 1.46A 3w1wA-5g1qA:
undetectable
3w1wB-5g1qA:
undetectable		 3w1wA-5g1qA:
19.65
3w1wB-5g1qA:
19.65
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.
5jb3 30S RIBOSOMAL
PROTEIN S27E

(Pyrococcus
abyssi) 		PF01667
(Ribosomal_S27e) 		3 ARG W  10
LYS W  51
ARG W  12
 G  2 791 ( 4.1A)
C  2 792 ( 4.4A)
None
 1.24A 3w1wA-5jb3W:
undetectable
3w1wB-5jb3W:
undetectable		 3w1wA-5jb3W:
11.63
3w1wB-5jb3W:
11.63
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.
5jo8 CEP104

(Gallus gallus) 		no annotation 3 ARG A  93
LYS A  96
ARG A  92
 None
 1.40A 3w1wA-5jo8A:
undetectable
3w1wB-5jo8A:
undetectable		 3w1wA-5jo8A:
21.39
3w1wB-5jo8A:
21.39
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.
5k5h TRANSCRIPTIONAL
REPRESSOR CTCF

(Homo sapiens) 		PF00096
(zf-C2H2)
PF13909
(zf-H2C2_5) 		3 ARG A 389
LYS A 393
ARG A 368
 None
 1.40A 3w1wA-5k5hA:
undetectable
3w1wB-5k5hA:
undetectable		 3w1wA-5k5hA:
16.51
3w1wB-5k5hA:
16.51
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.
5kgo FLAGELLAR BRAKE
PROTEIN YCGR

(Klebsiella
pneumoniae) 		no annotation 3 ARG D 108
LYS D   5
ARG D 110
 C2E  D 302 ( 2.9A)
None
None
 1.37A 3w1wA-5kgoD:
undetectable
3w1wB-5kgoD:
undetectable		 3w1wA-5kgoD:
18.53
3w1wB-5kgoD:
18.53
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.
5kym 1-ACYL-SN-GLYCEROL-3
-PHOSPHATE
ACYLTRANSFERASE

(Thermotoga
maritima) 		PF01553
(Acyltransferase) 		3 ARG A 133
LYS A 133
ARG A 136
 None
 1.28A 3w1wA-5kymA:
undetectable
3w1wB-5kymA:
undetectable		 3w1wA-5kymA:
21.45
3w1wB-5kymA:
21.45
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.
5lph CENTROSOMAL PROTEIN
OF 104 KDA

(Homo sapiens) 		no annotation 3 ARG A 487
LYS A 490
ARG A 486
 None
 1.10A 3w1wA-5lphA:
undetectable
3w1wB-5lphA:
undetectable		 3w1wA-5lphA:
21.81
3w1wB-5lphA:
21.81
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.
5oas MALATE SYNTHASE G

(Pseudomonas
aeruginosa) 		no annotation 3 ARG A 636
LYS A 397
ARG A 632
 None
MG  A 820 (-3.3A)
None
 1.12A 3w1wA-5oasA:
undetectable
3w1wB-5oasA:
undetectable		 3w1wA-5oasA:
18.83
3w1wB-5oasA:
18.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w1e PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		no annotation 3 ARG A 337
LYS A  12
ARG A 336
 None
 1.15A 3w1wA-5w1eA:
undetectable
3w1wB-5w1eA:
undetectable		 3w1wA-5w1eA:
undetectable
3w1wB-5w1eA:
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.
5wkn NUCLEOPROTEIN

(Mammalian
rubulavirus 5) 		no annotation 3 ARG A 195
LYS A 192
ARG A 216
 None
 1.46A 3w1wA-5wknA:
undetectable
3w1wB-5wknA:
undetectable		 3w1wA-5wknA:
undetectable
3w1wB-5wknA:
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.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		3 ARG A 476
LYS A 491
ARG A 478
 None
 1.31A 3w1wA-5wx1A:
2.5
3w1wB-5wx1A:
2.4		 3w1wA-5wx1A:
20.03
3w1wB-5wx1A:
20.03
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.
5xnr ALYQ

(Persicobacter
sp. CCB-QB2) 		no annotation 3 ARG A 396
LYS A 537
ARG A 392
 None
 1.34A 3w1wA-5xnrA:
undetectable
3w1wB-5xnrA:
undetectable		 3w1wA-5xnrA:
undetectable
3w1wB-5xnrA:
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.
5yeg TRANSCRIPTIONAL
REPRESSOR CTCF

(Homo sapiens) 		no annotation 3 ARG B 389
LYS B 393
ARG B 368
 None
 1.26A 3w1wA-5yegB:
undetectable
3w1wB-5yegB:
undetectable		 3w1wA-5yegB:
16.99
3w1wB-5yegB:
16.99
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.
5yew MITOFUSIN-1,MITOFUSI
N-1 FUSION PROTEIN

(Homo sapiens) 		no annotation 3 ARG B  73
LYS B 336
ARG B  74
 None
 1.03A 3w1wA-5yewB:
2.6
3w1wB-5yewB:
3.0		 3w1wA-5yewB:
undetectable
3w1wB-5yewB:
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.
6axe MALATE SYNTHASE G

(Mycobacterium
marinum) 		PF01274
(Malate_synthase) 		3 ARG A 642
LYS A 403
ARG A 638
 None
MG  A 802 ( 4.1A)
None
 1.11A 3w1wA-6axeA:
2.4
3w1wB-6axeA:
2.5		 3w1wA-6axeA:
19.41
3w1wB-6axeA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 3 ARG A 339
LYS A 274
ARG A 325
 None
 1.36A 3w1wA-6c5bA:
undetectable
3w1wB-6c5bA:
2.0		 3w1wA-6c5bA:
undetectable
3w1wB-6c5bA:
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.
6c5w CALCIUM UNIPORTER

(Metarhizium
acridum) 		no annotation 3 ARG A 261
LYS A 101
ARG A 247
 None
 1.32A 3w1wA-6c5wA:
undetectable
3w1wB-6c5wA:
undetectable		 3w1wA-6c5wA:
undetectable
3w1wB-6c5wA:
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.
6c6k INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 1

(Homo sapiens) 		no annotation 3 ARG A 388
LYS A 419
ARG A 350
 G  E   8 ( 2.7A)
G  E   8 ( 3.1A)
G  E   6 ( 3.9A)
 1.38A 3w1wA-6c6kA:
undetectable
3w1wB-6c6kA:
undetectable		 3w1wA-6c6kA:
undetectable
3w1wB-6c6kA:
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT F

(Saccharomyces
cerevisiae) 		no annotation 3 ARG O   2
LYS O   2
ARG O  77
 None
 1.07A 3w1wA-6c6lO:
undetectable
3w1wB-6c6lO:
undetectable		 3w1wA-6c6lO:
undetectable
3w1wB-6c6lO:
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.
6c90 EXOSOME RNA HELICASE
MTR4,EXOSOME RNA
HELICASE MTR4

(Homo sapiens) 		no annotation 3 ARG A 998
LYS A 192
ARG A 999
 None
MLI  A1105 (-3.7A)
MLI  A1105 (-3.9A)
 1.48A 3w1wA-6c90A:
3.6
3w1wB-6c90A:
3.8		 3w1wA-6c90A:
undetectable
3w1wB-6c90A:
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.
6cn1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
putida) 		no annotation 3 ARG A 374
LYS A  22
ARG A 400
 None
EPU  A 501 (-4.1A)
0V5  A 502 (-3.0A)
 1.48A 3w1wA-6cn1A:
undetectable
3w1wB-6cn1A:
undetectable		 3w1wA-6cn1A:
undetectable
3w1wB-6cn1A:
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.
6eoj PROTEIN CFT1
POLYADENYLATION
FACTOR SUBUNIT
2,POLYADENYLATION
FACTOR SUBUNIT 2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		3 ARG A1192
LYS A 119
ARG D  46
 None
 1.41A 3w1wA-6eojA:
undetectable
3w1wB-6eojA:
undetectable		 3w1wA-6eojA:
14.53
3w1wB-6eojA:
14.53