SIMILAR PATTERNS OF AMINO ACIDS FOR 4WQ5_B_ACTB404_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.
1amu GRAMICIDIN
SYNTHETASE 1

(Brevibacillus
brevis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 TYR A 130
ARG A 389
LYS A 197
 None
 0.83A 4wq5B-1amuA:
0.0		 4wq5B-1amuA:
21.64
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.
1by7 PROTEIN (PLASMINOGEN
ACTIVATOR
INHIBITOR-2)

(Homo sapiens) 		PF00079
(Serpin) 		3 TYR A 148
ARG A 143
LYS A 147
 None
 1.19A 4wq5B-1by7A:
0.0		 4wq5B-1by7A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e0k DNA HELICASE

(Escherichia
virus T7) 		PF03796
(DnaB_C) 		3 TYR A 394
ARG A 404
LYS A 408
 None
 1.14A 4wq5B-1e0kA:
0.0		 4wq5B-1e0kA:
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.
1fcu HYALURONOGLUCOSAMINI
DASE

(Apis mellifera) 		PF01630
(Glyco_hydro_56) 		3 TYR A 160
ARG A 155
LYS A 159
 None
 1.21A 4wq5B-1fcuA:
2.5		 4wq5B-1fcuA:
20.05
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		3 TYR A 324
ARG A 319
LYS A 323
 None
 1.27A 4wq5B-1gz5A:
1.3		 4wq5B-1gz5A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1igy IGG1 INTACT ANTIBODY
MAB61.1.3

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TYR B  90
ARG B  40
LYS B  38
 None
 1.30A 4wq5B-1igyB:
0.0		 4wq5B-1igyB:
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.
1jfd INORGANIC
PYROPHOSPHATASE

(Escherichia
coli) 		PF00719
(Pyrophosphatase) 		3 TYR A 141
ARG A  43
LYS A 142
 SO4  A 176 (-4.3A)
SO4  A 176 (-2.8A)
SO4  A 176 (-2.5A)
 1.24A 4wq5B-1jfdA:
0.0		 4wq5B-1jfdA:
22.65
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.
1pho PHOSPHOPORIN

(Escherichia
coli) 		PF00267
(Porin_1) 		3 TYR A 106
ARG A 132
LYS A 131
 None
 1.45A 4wq5B-1phoA:
0.0		 4wq5B-1phoA:
23.27
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.
1s72 50S RIBOSOMAL
PROTEIN L10E

(Haloarcula
marismortui) 		PF00252
(Ribosomal_L16) 		3 TYR H  43
ARG H  35
LYS H  38
 None
 1.46A 4wq5B-1s72H:
undetectable		 4wq5B-1s72H:
20.62
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.
1svv THREONINE ALDOLASE

(Leishmania
major) 		PF01212
(Beta_elim_lyase) 		3 TYR A  22
ARG A 186
LYS A 216
 None
 0.78A 4wq5B-1svvA:
undetectable		 4wq5B-1svvA:
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.
1tfx TISSUE FACTOR
PATHWAY INHIBITOR

(Homo sapiens) 		PF00014
(Kunitz_BPTI) 		3 TYR C  17
ARG C  32
LYS C  34
 None
 1.28A 4wq5B-1tfxC:
undetectable		 4wq5B-1tfxC:
9.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1um1 KIAA1849 PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		3 TYR A   8
ARG A  54
LYS A  94
 None
 1.39A 4wq5B-1um1A:
undetectable		 4wq5B-1um1A:
15.84
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.
1vib NEUROTOXIN B-IV

(Cerebratulus
lacteus) 		PF07822
(Toxin_13) 		3 TYR A  20
ARG A  17
LYS A  45
 None
 1.36A 4wq5B-1vibA:
undetectable		 4wq5B-1vibA:
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.
1xdp POLYPHOSPHATE KINASE

(Escherichia
coli) 		PF02503
(PP_kinase)
PF13089
(PP_kinase_N)
PF13090
(PP_kinase_C) 		3 TYR A 374
ARG A 621
LYS A 433
 ATP  A 701 ( 4.2A)
MG  A 703 ( 4.4A)
MG  A 703 ( 4.7A)
 1.40A 4wq5B-1xdpA:
undetectable		 4wq5B-1xdpA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xkw FE(III)-PYOCHELIN
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 TYR A 426
ARG A 331
LYS A 357
 None
 0.85A 4wq5B-1xkwA:
undetectable		 4wq5B-1xkwA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xmb IAA-AMINO ACID
HYDROLASE HOMOLOG 2

(Arabidopsis
thaliana) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 TYR A 342
ARG A 350
LYS A 346
 None
 1.44A 4wq5B-1xmbA:
undetectable		 4wq5B-1xmbA:
23.27
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.
1yvl SIGNAL TRANSDUCER
AND ACTIVATOR OF
TRANSCRIPTION
1-ALPHA/BETA

(Homo sapiens) 		PF00017
(SH2)
PF01017
(STAT_alpha)
PF02864
(STAT_bind)
PF02865
(STAT_int) 		3 TYR A 106
ARG A 113
LYS A 110
 None
 1.27A 4wq5B-1yvlA:
undetectable		 4wq5B-1yvlA:
17.52
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.
1z1w TRICORN PROTEASE
INTERACTING FACTOR
F3

(Thermoplasma
acidophilum) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		3 TYR A 194
ARG A 257
LYS A 256
 None
SO4  A 801 (-2.5A)
SO4  A 801 (-2.5A)
 1.19A 4wq5B-1z1wA:
undetectable		 4wq5B-1z1wA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2een HYPOTHETICAL PROTEIN
PH1819

(Pyrococcus
horikoshii) 		PF01928
(CYTH) 		3 TYR A 170
ARG A 111
LYS A 109
 None
 1.29A 4wq5B-2eenA:
undetectable		 4wq5B-2eenA:
19.35
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.
2eo0 HYPOTHETICAL PROTEIN
ST1444

(Sulfurisphaera
tokodaii) 		PF01870
(Hjc) 		3 TYR A 134
ARG A 141
LYS A 138
 None
 1.36A 4wq5B-2eo0A:
undetectable		 4wq5B-2eo0A:
17.91
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.
2lhj HIGH MOBILITY GROUP
PROTEIN HOMOLOG NHP1

(Babesia bovis) 		PF00505
(HMG_box) 		3 TYR A  92
ARG A  95
LYS A  96
 None
 1.44A 4wq5B-2lhjA:
undetectable		 4wq5B-2lhjA:
14.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2obv S-ADENOSYLMETHIONINE
SYNTHETASE ISOFORM
TYPE-1

(Homo sapiens) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		3 TYR A 242
ARG A 228
LYS A 223
 None
 0.75A 4wq5B-2obvA:
undetectable		 4wq5B-2obvA:
22.54
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.
2ogi HYPOTHETICAL PROTEIN
SAG1661

(Streptococcus
agalactiae) 		PF01966
(HD) 		3 TYR A  76
ARG A  71
LYS A  75
 None
 1.20A 4wq5B-2ogiA:
undetectable		 4wq5B-2ogiA:
20.59
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.
2p11 HYPOTHETICAL PROTEIN

(Paraburkholderia
xenovorans) 		no annotation 3 TYR A 194
ARG A 171
LYS A 169
 None
 1.00A 4wq5B-2p11A:
undetectable		 4wq5B-2p11A:
22.29
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.
2prd PYROPHOSPHATE
PHOSPHOHYDROLASE

(Thermus
thermophilus) 		PF00719
(Pyrophosphatase) 		3 TYR A 139
ARG A  43
LYS A 140
 SO4  A 175 (-4.3A)
SO4  A 175 (-3.1A)
SO4  A 175 (-2.9A)
 1.41A 4wq5B-2prdA:
undetectable		 4wq5B-2prdA:
19.94
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.
2r87 PURP PROTEIN PF1517

(Pyrococcus
furiosus) 		PF06849
(DUF1246)
PF06973
(DUF1297) 		3 TYR A 142
ARG A 101
LYS A 132
 ADP  A 400 (-4.5A)
ADP  A 400 ( 4.7A)
ADP  A 400 (-2.8A)
 1.30A 4wq5B-2r87A:
undetectable		 4wq5B-2r87A:
22.45
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.
2r8b UNCHARACTERIZED
PROTEIN ATU2452

(Agrobacterium
fabrum) 		PF01738
(DLH) 		3 TYR A  49
ARG A 120
LYS A 124
 None
 1.48A 4wq5B-2r8bA:
3.0		 4wq5B-2r8bA:
24.70
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.
2uxs INORGANIC
PYROPHOSPHATASE

(Mycobacterium
tuberculosis) 		PF00719
(Pyrophosphatase) 		3 TYR A 133
ARG A  37
LYS A 134
 PO4  A1167 (-4.6A)
PO4  A1167 (-3.7A)
PO4  A1167 (-3.3A)
 1.38A 4wq5B-2uxsA:
undetectable		 4wq5B-2uxsA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsm HYDROGENASE
EXPRESSION/FORMATION
PROTEIN (HYPB)

(Archaeoglobus
fulgidus) 		PF02492
(cobW) 		3 TYR A 100
ARG A  16
LYS A  20
 None
 1.35A 4wq5B-2wsmA:
undetectable		 4wq5B-2wsmA:
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.
2xzi EXTRACELLULAR
SIALIDASE/NEURAMINID
ASE, PUTATIVE

(Aspergillus
fumigatus) 		PF13088
(BNR_2) 		3 TYR A  31
ARG A 394
LYS A 368
 None
 1.26A 4wq5B-2xziA:
undetectable		 4wq5B-2xziA:
23.84
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.
2ybx PHOSPHATIDYLINOSITOL
-5-PHOSPHATE
4-KINASE TYPE-2
ALPHA

(Homo sapiens) 		PF01504
(PIP5K) 		3 TYR A  93
ARG A 183
LYS A  91
 None
 1.48A 4wq5B-2ybxA:
undetectable		 4wq5B-2ybxA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yik ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		3 TYR A 138
ARG A 146
LYS A 142
 None
 1.13A 4wq5B-2yikA:
undetectable		 4wq5B-2yikA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zj8 PUTATIVE SKI2-TYPE
HELICASE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF14520
(HHH_5) 		3 TYR A 639
ARG A 634
LYS A 638
 None
 1.23A 4wq5B-2zj8A:
undetectable		 4wq5B-2zj8A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		3 TYR A  46
ARG A  53
LYS A  50
 None
 1.34A 4wq5B-3a3hA:
undetectable		 4wq5B-3a3hA:
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.
3af5 PUTATIVE
UNCHARACTERIZED
PROTEIN PH1404

(Pyrococcus
horikoshii) 		PF07521
(RMMBL)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		3 TYR A 229
ARG A 202
LYS A 230
 SO4  A 652 (-3.8A)
SO4  A 652 (-3.8A)
SO4  A 652 (-3.1A)
 1.38A 4wq5B-3af5A:
undetectable		 4wq5B-3af5A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3be8 NEUROLIGIN-4,
X-LINKED

(Homo sapiens) 		PF00135
(COesterase) 		3 TYR A 424
ARG A 583
LYS A 586
 None
CL  A 625 (-4.9A)
CL  A 625 (-4.6A)
 1.32A 4wq5B-3be8A:
undetectable		 4wq5B-3be8A:
19.22
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.
3ear HERA

(Thermus
thermophilus) 		PF00271
(Helicase_C) 		3 TYR A 213
ARG A 359
LYS A 211
 None
 1.45A 4wq5B-3earA:
undetectable		 4wq5B-3earA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		3 TYR A 265
ARG A 272
LYS A 269
 None
 1.37A 4wq5B-3ee4A:
2.1		 4wq5B-3ee4A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fbg PUTATIVE ARGINATE
LYASE

(Staphylococcus
haemolyticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 TYR A 286
ARG A 272
LYS A 282
 None
 1.48A 4wq5B-3fbgA:
undetectable		 4wq5B-3fbgA:
22.45
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.
3gpg NON-STRUCTURAL
PROTEIN 3

(Chikungunya
virus) 		PF01661
(Macro) 		3 TYR A 142
ARG A   5
LYS A   7
 None
 1.31A 4wq5B-3gpgA:
undetectable		 4wq5B-3gpgA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4q APC40078

(Oleispira
antarctica) 		PF00719
(Pyrophosphatase) 		3 TYR A 142
ARG A  44
LYS A 143
 None
 1.30A 4wq5B-3i4qA:
undetectable		 4wq5B-3i4qA:
21.34
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.
3ld3 INORGANIC
PYROPHOSPHATASE

(Anaplasma
phagocytophilum) 		PF00719
(Pyrophosphatase) 		3 TYR A 142
ARG A  44
LYS A 143
 PO4  A 200 (-4.6A)
PO4  A 200 (-3.2A)
PO4  A 200 (-2.7A)
 1.34A 4wq5B-3ld3A:
undetectable		 4wq5B-3ld3A:
16.77
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.
3n0z ADENYLATE CYCLASE 2

(Yersinia pestis) 		PF01928
(CYTH) 		3 TYR A 173
ARG A 113
LYS A 111
 3AT  A 181 (-4.0A)
3AT  A 181 (-3.1A)
3AT  A 181 (-2.9A)
 1.31A 4wq5B-3n0zA:
undetectable		 4wq5B-3n0zA:
19.35
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.
3oak TRANSCRIPTION FACTOR
IWS1

(Saccharomyces
cerevisiae) 		PF08711
(Med26) 		3 TYR A 153
ARG A 160
LYS A 157
 None
 1.31A 4wq5B-3oakA:
undetectable		 4wq5B-3oakA:
18.82
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.
3osr MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Escherichia
coli;
Aequorea
victoria) 		PF01353
(GFP)
PF01547
(SBP_bac_1) 		3 TYR A 347
ARG A 335
LYS A 333
 None
 0.97A 4wq5B-3osrA:
undetectable		 4wq5B-3osrA:
19.67
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.
3q9q HEAT SHOCK PROTEIN
BETA-1

(Homo sapiens) 		PF00011
(HSP20) 		3 TYR A 133
ARG A 136
LYS A 133
 None
 1.02A 4wq5B-3q9qA:
undetectable		 4wq5B-3q9qA:
14.44
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.
3qwt PUTATIVE GH105
FAMILY PROTEIN

(Salmonella
enterica) 		PF07470
(Glyco_hydro_88) 		3 TYR A 299
ARG A 306
LYS A 303
 None
GOL  A 381 (-2.8A)
GOL  A 381 (-3.1A)
 1.46A 4wq5B-3qwtA:
undetectable		 4wq5B-3qwtA:
22.57
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.
3r44 FATTY ACYL COA
SYNTHETASE FADD13
(FATTY-ACYL-COA
SYNTHETASE)

(Mycobacterium
tuberculosis) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 TYR A 391
ARG A 320
LYS A 321
 None
 1.01A 4wq5B-3r44A:
undetectable		 4wq5B-3r44A:
22.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sw5 INORGANIC
PYROPHOSPHATASE

(Bartonella
henselae) 		PF00719
(Pyrophosphatase) 		3 TYR A 142
ARG A  44
LYS A 143
 None
 1.39A 4wq5B-3sw5A:
undetectable		 4wq5B-3sw5A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tr4 INORGANIC
PYROPHOSPHATASE

(Coxiella
burnetii) 		PF00719
(Pyrophosphatase) 		3 TYR A 140
ARG A  42
LYS A 141
 None
 1.36A 4wq5B-3tr4A:
undetectable		 4wq5B-3tr4A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vu7 DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF16727
(REV1_C) 		3 TYR H1212
ARG H1173
LYS H1169
 None
 1.23A 4wq5B-3vu7H:
undetectable		 4wq5B-3vu7H:
16.67
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.
3x05 PHOSPHATIDYLINOSITOL
5-PHOSPHATE 4-KINASE
TYPE-2 BETA

(Homo sapiens) 		PF01504
(PIP5K) 		3 TYR A  98
ARG A 188
LYS A  96
 AMP  A 502 (-4.4A)
AMP  A 502 (-4.2A)
AMP  A 502 (-2.7A)
 1.48A 4wq5B-3x05A:
undetectable		 4wq5B-3x05A:
22.22
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.
3zdp NUCLEOCAPSID PROTEIN

(Influenza A
virus) 		PF00506
(Flu_NP) 		3 TYR A  78
ARG A  75
LYS A  77
 None
 1.15A 4wq5B-3zdpA:
undetectable		 4wq5B-3zdpA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a05 CELLOBIOHYDROLASE
FAMILY 6

(Chaetomium
thermophilum) 		PF01341
(Glyco_hydro_6) 		3 TYR A 279
ARG A 228
LYS A 227
 None
 1.44A 4wq5B-4a05A:
undetectable		 4wq5B-4a05A:
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		3 TYR A 220
ARG A 276
LYS A 219
 None
 1.30A 4wq5B-4e4jA:
undetectable		 4wq5B-4e4jA:
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.
4ecp INORGANIC
PYROPHOSPHATASE

(Mycobacterium
leprae) 		PF00719
(Pyrophosphatase) 		3 TYR A 126
ARG A  30
LYS A 127
 None
 1.39A 4wq5B-4ecpA:
undetectable		 4wq5B-4ecpA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ee8 PRENYLTRANSFERASE

(Streptomyces
cinnamonensis) 		PF11468
(PTase_Orf2) 		3 TYR A 281
ARG A  49
LYS A 283
 SO4  A 402 (-4.5A)
SO4  A 402 ( 3.1A)
SO4  A 401 ( 2.3A)
 1.35A 4wq5B-4ee8A:
undetectable		 4wq5B-4ee8A:
22.34
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.
4eme M18 ASPARTYL
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF02127
(Peptidase_M18) 		3 TYR A 497
ARG A 482
LYS A 481
 None
 1.22A 4wq5B-4emeA:
undetectable		 4wq5B-4emeA:
18.07
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.
4etv RYANODINE RECEPTOR 2

(Mus musculus) 		PF02026
(RyR) 		3 TYR A2873
ARG A2885
LYS A2881
 None
 1.33A 4wq5B-4etvA:
undetectable		 4wq5B-4etvA:
20.90
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.
4gm6 PFKB FAMILY
CARBOHYDRATE KINASE

(Listeria grayi) 		PF00294
(PfkB) 		3 TYR A 191
ARG A 129
LYS A 161
 None
 1.47A 4wq5B-4gm6A:
1.4		 4wq5B-4gm6A:
22.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		3 TYR A  13
ARG A   8
LYS A  12
 None
 1.28A 4wq5B-4gp1A:
undetectable		 4wq5B-4gp1A:
23.22
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.
4hl0 GALECTIN

(Toxascaris
leonina) 		PF00337
(Gal-bind_lectin) 		3 TYR A 138
ARG A  96
LYS A  28
 None
 0.78A 4wq5B-4hl0A:
undetectable		 4wq5B-4hl0A:
22.38
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.
4i8v CYTOCHROME P450 1A1

(Homo sapiens) 		PF00067
(p450) 		3 TYR A 367
ARG A 338
LYS A 342
 None
 1.11A 4wq5B-4i8vA:
undetectable		 4wq5B-4i8vA:
23.03
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.
4j8f HEAT SHOCK 70 KDA
PROTEIN 1A/1B,
HSC70-INTERACTING
PROTEIN

(Homo sapiens;
Rattus
norvegicus) 		PF00012
(HSP70) 		3 TYR A  41
ARG A 261
LYS A  56
 None
IOD  A 617 (-3.5A)
IOD  A 617 (-3.5A)
 1.18A 4wq5B-4j8fA:
10.7		 4wq5B-4j8fA:
21.44
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.
4jci PROLINE RACEMASE

(Chromohalobacter
salexigens) 		PF05544
(Pro_racemase) 		3 TYR A  -3
ARG A   3
LYS A  -3
 None
 1.41A 4wq5B-4jciA:
undetectable		 4wq5B-4jciA:
25.25
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.
4lso TYPE IV SECRETION
SYSTEM PROTEIN VIRB8

(Bartonella
quintana) 		PF04335
(VirB8) 		3 TYR A 104
ARG A 111
LYS A 108
 None
 1.38A 4wq5B-4lsoA:
undetectable		 4wq5B-4lsoA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m70 RX PROTEIN

(Solanum
tuberosum) 		no annotation 3 TYR A  28
ARG A  35
LYS A  32
 None
 1.35A 4wq5B-4m70A:
3.5		 4wq5B-4m70A:
18.45
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.
4mq0 PARKIA BIGLOBOSA
LECTIN (PBL)

(Parkia
biglobosa) 		PF01419
(Jacalin) 		3 TYR A 138
ARG A  60
LYS A  63
 MMA  A 501 (-4.8A)
None
None
 1.41A 4wq5B-4mq0A:
undetectable		 4wq5B-4mq0A:
19.57
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.
4n2r ALPHA-L-ARABINOFURAN
OSIDASE UMABF62A

(Ustilago maydis) 		PF03664
(Glyco_hydro_62) 		3 TYR A 154
ARG A 151
LYS A 152
 None
 1.20A 4wq5B-4n2rA:
undetectable		 4wq5B-4n2rA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nzm INOSITOL
HEXAKISPHOSPHATE AND
DIPHOSPHOINOSITOL-PE
NTAKISPHOSPHATE
KINASE 2

(Homo sapiens) 		no annotation 3 TYR A 250
ARG A 262
LYS A 248
 None
0EJ  A 402 (-3.0A)
0EJ  A 402 ( 2.8A)
 1.40A 4wq5B-4nzmA:
undetectable		 4wq5B-4nzmA:
24.05
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.
4omj SEC14-LIKE PROTEIN 2

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		3 TYR A 202
ARG A 214
LYS A 206
 2TX  A 310 (-4.9A)
CL  A 306 (-3.4A)
CL  A 306 ( 3.7A)
 1.34A 4wq5B-4omjA:
undetectable		 4wq5B-4omjA:
22.01
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.
4onu ACETYLTRANSFERASE
PAT

(Mycolicibacterium
smegmatis) 		PF00027
(cNMP_binding)
PF13302
(Acetyltransf_3) 		3 TYR A 179
ARG A 181
LYS A 179
 None
 1.13A 4wq5B-4onuA:
undetectable		 4wq5B-4onuA:
25.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtn NICOTINAMIDE
RIBOSIDE TRANSPORTER
PNUC

(Neisseria
mucosa) 		PF04973
(NMN_transporter) 		3 TYR A 178
ARG A 177
LYS A 124
 None
 1.48A 4wq5B-4qtnA:
undetectable		 4wq5B-4qtnA:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rng MTN3/SALIVA FAMILY

(Thermodesulfovibrio
yellowstonii) 		PF04193
(PQ-loop) 		3 TYR A  31
ARG A  86
LYS A  34
 None
 1.15A 4wq5B-4rngA:
undetectable		 4wq5B-4rngA:
14.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rsw HOPA1

(Pseudomonas
syringae) 		no annotation 3 TYR A 279
ARG A 216
LYS A 262
 None
 1.17A 4wq5B-4rswA:
undetectable		 4wq5B-4rswA:
22.90
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.
4trg SIDC

(Legionella
pneumophila) 		no annotation 3 TYR A 292
ARG A 284
LYS A 286
 None
 1.12A 4wq5B-4trgA:
undetectable		 4wq5B-4trgA:
19.27
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		3 TYR A1024
ARG A1036
LYS A1032
 None
 1.32A 4wq5B-4uwaA:
undetectable		 4wq5B-4uwaA:
7.05
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.
4uwa RYANODINE RECEPTOR 1

(Oryctolagus
cuniculus) 		PF00622
(SPRY)
PF01365
(RYDR_ITPR)
PF02026
(RyR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		3 TYR A2908
ARG A2920
LYS A2916
 None
 1.42A 4wq5B-4uwaA:
undetectable		 4wq5B-4uwaA:
7.05
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.
4w8j PESTICIDAL CRYSTAL
PROTEIN CRY1AC

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		3 TYR A 902
ARG A 965
LYS A 906
 None
 1.13A 4wq5B-4w8jA:
undetectable		 4wq5B-4w8jA:
15.48
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.
4wd9 NISIN BIOSYNTHESIS
PROTEIN NISB

(Lactococcus
lactis) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		3 TYR A 643
ARG A  87
LYS A 650
 None
 1.47A 4wq5B-4wd9A:
2.5		 4wq5B-4wd9A:
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.
4z1o PHOSPHORIBOSYLTRANSF
ERASE

(Sulfolobus
solfataricus) 		PF00156
(Pribosyltran) 		3 TYR A  64
ARG A  77
LYS A  62
 None
 1.17A 4wq5B-4z1oA:
undetectable		 4wq5B-4z1oA:
19.43
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.
4z66 HISTONE H4

(Xenopus laevis) 		PF15511
(CENP-T_C) 		3 TYR B  51
ARG B  35
LYS B  31
 None
 1.17A 4wq5B-4z66B:
undetectable		 4wq5B-4z66B:
15.94
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.
5aj3 MITORIBOSOMAL
PROTEIN US17M,
MRPS17

(Sus scrofa) 		PF00366
(Ribosomal_S17) 		3 TYR Q  49
ARG Q  32
LYS Q  47
 A  A 104 ( 4.3A)
A  A 104 ( 4.1A)
A  A 104 ( 3.0A)
 1.21A 4wq5B-5aj3Q:
undetectable		 4wq5B-5aj3Q:
16.15
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.
5ce9 POLYPHENOL OXIDASE

(Juglans regia) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		3 TYR A 122
ARG A  46
LYS A 126
 None
 1.40A 4wq5B-5ce9A:
undetectable		 4wq5B-5ce9A:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cqr ELONGATOR COMPLEX
PROTEIN 1

(Homo sapiens) 		PF04762
(IKI3) 		3 TYR A1099
ARG A1094
LYS A1098
 None
 1.44A 4wq5B-5cqrA:
undetectable		 4wq5B-5cqrA:
21.25
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.
5kqv INSULIN
RECEPTOR,INSULIN
RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		3 TYR E 401
ARG E 371
LYS E 369
 None
 1.25A 4wq5B-5kqvE:
undetectable		 4wq5B-5kqvE:
19.77
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.
5ls0 SOLUBLE INORGANIC
PYROPHOSPHATASE 1

(Arabidopsis
thaliana) 		PF00719
(Pyrophosphatase) 		3 TYR A 172
ARG A  76
LYS A 173
 None
 1.30A 4wq5B-5ls0A:
undetectable		 4wq5B-5ls0A:
19.77
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.
5mtz RIBONUCLEASE Z

(Saccharomyces
cerevisiae) 		PF13691
(Lactamase_B_4) 		3 TYR A 792
ARG A 753
LYS A 754
 None
 1.34A 4wq5B-5mtzA:
undetectable		 4wq5B-5mtzA:
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.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 3 TYR A  14
ARG A  59
LYS A  45
 None
 1.27A 4wq5B-5nxnA:
undetectable		 4wq5B-5nxnA:
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.
5thh TYROSINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		3 TYR A 289
ARG A 279
LYS A 287
 None
 1.33A 4wq5B-5thhA:
1.5		 4wq5B-5thhA:
22.99
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.
5uz7 CALCITONIN RECEPTOR

(Homo sapiens) 		PF00002
(7tm_2) 		3 TYR R 338
ARG R 328
LYS R 337
 None
 1.32A 4wq5B-5uz7R:
1.5		 4wq5B-5uz7R:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wdu ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 3 TYR G 191
ARG G 178
LYS G 155
 None
NAG  G 606 (-4.2A)
NAG  G 606 (-3.3A)
 1.24A 4wq5B-5wduG:
undetectable		 4wq5B-5wduG:
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.
5xei CHROMOSOME PARTITION
PROTEIN SMC

(Pyrococcus
yayanosii) 		PF02463
(SMC_N) 		3 TYR A 981
ARG A 988
LYS A 985
 None
 1.17A 4wq5B-5xeiA:
undetectable		 4wq5B-5xeiA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xeq NEUROLIGIN-2

(Homo sapiens) 		PF00135
(COesterase) 		3 TYR A 435
ARG A 594
LYS A 597
 None
 1.38A 4wq5B-5xeqA:
undetectable		 4wq5B-5xeqA:
19.69
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.
5xf7 PROTEIN
DISULFIDE-ISOMERASE-
LIKE PROTEIN OF THE
TESTIS

(Homo sapiens) 		no annotation 3 TYR A 356
ARG A 364
LYS A 360
 None
 1.33A 4wq5B-5xf7A:
undetectable		 4wq5B-5xf7A:
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.
5z06 BDI_3064 PROTEIN

(Parabacteroides
distasonis) 		no annotation 3 TYR A 281
ARG A 255
LYS A 235
 None
 1.29A 4wq5B-5z06A:
undetectable		 4wq5B-5z06A:
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.
6az1 RIBOSOMAL PROTEIN S7

(Leishmania
donovani) 		no annotation 3 TYR H 138
ARG H 145
LYS H 142
 A  11517 ( 4.5A)
None
None
 1.35A 4wq5B-6az1H:
undetectable		 4wq5B-6az1H:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 3 TYR A 709
ARG A 715
LYS A 712
 None
 1.36A 4wq5B-6emkA:
undetectable		 4wq5B-6emkA:
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.
6epe PROTEASOME (PROSOME,
MACROPAIN) 26S
SUBUNIT, NON-ATPASE,
7 (PREDICTED)

(Rattus
norvegicus) 		no annotation 3 TYR U  79
ARG U  90
LYS U  83
 None
 1.31A 4wq5B-6epeU:
undetectable		 4wq5B-6epeU:
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.
6guo -

(-) 		no annotation 3 TYR A 278
ARG A 220
LYS A 276
 None
 0.95A 4wq5B-6guoA:
undetectable		 4wq5B-6guoA:
undetectable