SIMILAR PATTERNS OF AMINO ACIDS FOR 3W1W_B_CHDB506

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 632
ARG A 636
LYS A 392
 None
None
MG  A3001 ( 4.0A)
 1.19A 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.
1tr8 CONSERVED PROTEIN
(MTH177)

(Methanothermobacter
marburgensis) 		PF01849
(NAC) 		3 ARG A  71
ARG A  69
LYS A  47
 None
 0.98A 3w1wA-1tr8A:
0.0
3w1wB-1tr8A:
undetectable		 3w1wA-1tr8A:
13.07
3w1wB-1tr8A:
13.07
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.
1z0a RAS-RELATED PROTEIN
RAB-2A

(Homo sapiens) 		PF00071
(Ras) 		3 ARG A  90
ARG A 126
LYS A 120
 None
None
GDP  A1200 (-3.4A)
 1.38A 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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		3 ARG A 634
ARG A 638
LYS A 399
 None
None
MG  A1000 ( 4.2A)
 1.10A 3w1wA-2gq3A:
0.3
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 187
ARG A 183
LYS A  63
 None
 1.16A 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   5
ARG A  52
LYS A  55
 None
 1.19A 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.
2l72 ACTIN DEPOLYMERIZING
FACTOR, PUTATIVE

(Toxoplasma
gondii) 		PF00241
(Cofilin_ADF) 		3 ARG A  21
ARG A  14
LYS A  43
 None
 1.42A 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.
2okx RHAMNOSIDASE B

(Bacillus sp.
GL1) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		3 ARG A 581
ARG A 638
LYS A 704
 None
 1.33A 3w1wA-2okxA:
0.0
3w1wB-2okxA:
0.0		 3w1wA-2okxA:
16.81
3w1wB-2okxA:
16.81
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		3 ARG A 116
ARG A 120
LYS A 159
 None
 1.01A 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.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		3 ARG A 343
ARG A  44
LYS A  48
 None
 1.48A 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.
2qnk 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Homo sapiens) 		PF06052
(3-HAO) 		3 ARG A 107
ARG A 108
LYS A  33
 PO4  A 288 (-3.8A)
None
PO4  A 288 (-2.9A)
 1.45A 3w1wA-2qnkA:
undetectable
3w1wB-2qnkA:
undetectable		 3w1wA-2qnkA:
25.00
3w1wB-2qnkA:
25.00
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.
3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Escherichia
coli) 		PF06751
(EutB) 		3 ARG A 343
ARG A  44
LYS A  48
 None
 1.47A 3w1wA-3anyA:
undetectable
3w1wB-3anyA:
1.5		 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.
3ech MULTIDRUG RESISTANCE
OPERON REPRESSOR
25-MER FRAGMENT OF
PROTEIN ARMR

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF01047
(MarR)
no annotation 		3 ARG C  41
ARG C  42
LYS A  44
 None
 1.37A 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 B 218
ARG C  36
LYS B 240
 AGA  C 309 ( 3.8A)
None
None
 1.26A 3w1wA-3egwB:
undetectable
3w1wB-3egwB:
undetectable		 3w1wA-3egwB:
20.69
3w1wB-3egwB:
20.69
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.
3fe5 3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE

(Bos taurus) 		PF06052
(3-HAO) 		3 ARG A 107
ARG A 108
LYS A  33
 None
CSO  A 134 ( 4.3A)
None
 1.39A 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 312
ARG A 279
LYS A 318
 PO4  A   2 (-3.3A)
None
PO4  A   2 (-3.5A)
 0.81A 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  90
ARG g  87
LYS g 112
 C  A1880 ( 4.1A)
None
A  A1881 ( 3.1A)
 1.48A 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 395
ARG B 398
LYS B 432
 None
 1.34A 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.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		3 ARG A  57
ARG A 213
LYS A  29
 None
 1.45A 3w1wA-3lkzA:
undetectable
3w1wB-3lkzA:
undetectable		 3w1wA-3lkzA:
23.45
3w1wB-3lkzA:
23.45
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.
3m4a PUTATIVE TYPE I
TOPOISOMERASE

(Deinococcus
radiodurans) 		PF01028
(Topoisom_I) 		3 ARG A 239
ARG A 135
LYS A 181
 None
 1.46A 3w1wA-3m4aA:
undetectable
3w1wB-3m4aA:
undetectable		 3w1wA-3m4aA:
22.79
3w1wB-3m4aA:
22.79
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.
3mm5 SULFITE REDUCTASE,
DISSIMILATORY-TYPE
SUBUNIT BETA

(Archaeoglobus
fulgidus) 		PF00037
(Fer4)
PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		3 ARG B 276
ARG B 277
LYS B 271
 SRM  B 570 (-2.6A)
None
SRM  B 570 ( 4.1A)
 1.14A 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 338
ARG A 232
LYS A 194
 None
 0.85A 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 C 205
ARG A 326
LYS C 285
 None
 1.43A 3w1wA-3qmlC:
undetectable
3w1wB-3qmlC:
undetectable		 3w1wA-3qmlC:
22.80
3w1wB-3qmlC:
22.80
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.
3sg1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE 1

(Bacillus
anthracis) 		PF00275
(EPSP_synthase) 		3 ARG A 398
ARG A 372
LYS A  22
 None
 1.38A 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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		3 ARG A 399
ARG A 373
LYS A  22
 QPA  A 117 (-3.1A)
None
EPZ  A 508 (-2.5A)
 1.49A 3w1wA-3sweA:
undetectable
3w1wB-3sweA:
undetectable		 3w1wA-3sweA:
21.57
3w1wB-3sweA:
21.57
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.
3zoq URACIL-DNA
GLYCOSYLASE

(Bacillus
subtilis) 		PF03167
(UDG) 		3 ARG A 147
ARG A 143
LYS A  19
 None
 1.39A 3w1wA-3zoqA:
2.3
3w1wB-3zoqA:
undetectable		 3w1wA-3zoqA:
19.31
3w1wB-3zoqA:
19.31
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.
4duu PLASMINOGEN

(Homo sapiens) 		PF00024
(PAN_1)
PF00051
(Kringle)
PF00089
(Trypsin) 		3 ARG A 426
ARG A  68
LYS A 392
 None
 1.26A 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 639
ARG A 643
LYS A 404
 None
None
MG  A 801 ( 4.0A)
 1.12A 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 273
ARG A 234
LYS A 168
 None
 1.44A 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 104
ARG A  53
LYS B  98
 HEM  A 201 (-3.0A)
HEM  A 201 (-3.8A)
HEM  A 201 (-2.7A)
 1.38A 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 412
ARG A 423
LYS A 423
 None
 1.44A 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.
4ny4 CYTOCHROME P450 3A4

(Homo sapiens) 		PF00067
(p450) 		3 ARG A 161
ARG A 496
LYS A 342
 None
 1.21A 3w1wA-4ny4A:
undetectable
3w1wB-4ny4A:
undetectable		 3w1wA-4ny4A:
22.13
3w1wB-4ny4A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ah5 LEUCINE--TRNA LIGASE

(Agrobacterium
tumefaciens) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1)
PF13603
(tRNA-synt_1_2) 		3 ARG A 796
ARG A 792
LYS A 763
 None
G  C  46 ( 4.7A)
None
 1.46A 3w1wA-5ah5A:
1.6
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 B 104
ARG A 253
LYS B 129
 None
ANP  A 601 ( 3.9A)
None
 1.01A 3w1wA-5bn4B:
2.8
3w1wB-5bn4B:
2.8		 3w1wA-5bn4B:
24.28
3w1wB-5bn4B:
24.28
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.
5cr4 SLEEPING BEAUTY
TRANSPOSASE, SB100X

(synthetic
construct) 		PF01498
(HTH_Tnp_Tc3_2)
PF13358
(DDE_3) 		3 ARG A 182
ARG A 178
LYS A 200
 None
SO4  A 306 (-2.7A)
None
 1.48A 3w1wA-5cr4A:
undetectable
3w1wB-5cr4A:
undetectable		 3w1wA-5cr4A:
21.11
3w1wB-5cr4A:
21.11
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.
5dkp ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT

(Neisseria
meningitidis) 		PF00574
(CLP_protease) 		3 ARG A  20
ARG A  27
LYS A  30
 None
 1.36A 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 355
ARG A 406
LYS A 666
 None
 1.30A 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  62
ARG R  65
LYS R  90
 None
 1.43A 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  19
ARG A  26
LYS A  29
 None
 1.42A 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  12
ARG W  10
LYS W  51
 None
G  2 791 ( 4.1A)
C  2 792 ( 4.4A)
 1.20A 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.
5k5a PARB DOMAIN PROTEIN
NUCLEASE

(Sulfolobus
solfataricus) 		PF02195
(ParBc) 		3 ARG B 224
ARG B 256
LYS B 257
 None
 1.49A 3w1wA-5k5aB:
undetectable
3w1wB-5k5aB:
undetectable		 3w1wA-5k5aB:
20.89
3w1wB-5k5aB:
20.89
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.
5k5h TRANSCRIPTIONAL
REPRESSOR CTCF

(Homo sapiens) 		PF00096
(zf-C2H2)
PF13909
(zf-H2C2_5) 		3 ARG A 368
ARG A 389
LYS A 393
 None
 1.42A 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 110
ARG D 108
LYS D   5
 None
C2E  D 302 ( 2.9A)
None
 1.44A 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 136
ARG A 133
LYS A 133
 None
 1.37A 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 486
ARG A 487
LYS A 490
 None
 1.08A 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 632
ARG A 636
LYS A 397
 None
None
MG  A 820 (-3.3A)
 1.15A 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 336
ARG A 337
LYS A  12
 None
 1.17A 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.
5wx1 SERINE PROTEASE NS3

(Pestivirus C) 		PF00271
(Helicase_C)
PF05578
(Peptidase_S31)
PF07652
(Flavi_DEAD) 		3 ARG A 478
ARG A 476
LYS A 491
 None
 1.35A 3w1wA-5wx1A:
2.5
3w1wB-5wx1A:
2.3		 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 392
ARG A 396
LYS A 537
 None
 1.30A 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.
5yef TRANSCRIPTIONAL
REPRESSOR CTCF

(Homo sapiens) 		no annotation 3 ARG A 368
ARG A 389
LYS A 393
 None
 1.35A 3w1wA-5yefA:
undetectable
3w1wB-5yefA:
undetectable		 3w1wA-5yefA:
17.07
3w1wB-5yefA:
17.07
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.
5yeg TRANSCRIPTIONAL
REPRESSOR CTCF

(Homo sapiens) 		no annotation 3 ARG B 368
ARG B 389
LYS B 393
 None
 1.33A 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  74
ARG B  73
LYS B 336
 None
 1.11A 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 638
ARG A 642
LYS A 403
 None
None
MG  A 802 ( 4.1A)
 1.14A 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.
6c6k INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 1

(Homo sapiens) 		no annotation 3 ARG A 350
ARG A 388
LYS A 419
 G  E   6 ( 3.9A)
G  E   8 ( 2.7A)
G  E   8 ( 3.1A)
 1.44A 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  77
ARG O   2
LYS O   2
 None
 1.12A 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.
6cn1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
putida) 		no annotation 3 ARG A 400
ARG A 374
LYS A  22
 0V5  A 502 (-3.0A)
None
EPU  A 501 (-4.1A)
 1.47A 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 D  46
ARG A1192
LYS A 119
 None
 1.42A 3w1wA-6eojD:
undetectable
3w1wB-6eojD:
undetectable		 3w1wA-6eojD:
19.71
3w1wB-6eojD:
19.71