SIMILAR PATTERNS OF AMINO ACIDS FOR 4KLR_A_CHDA505_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.
1azz COLLAGENASE

(Leptuca
pugilator)
PF00089
(Trypsin)
4 LEU A 123
PRO A 124
LEU A 235
ILE A 238
None
1.06A 4klrA-1azzA:
undetectable
4klrA-1azzA:
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.
1bwd PROTEIN
(INOSAMINE-PHOSPHATE
AMIDINOTRANSFERASE)


(Streptomyces
griseus)
no annotation 4 LEU A 335
PRO A 106
LEU A 110
ILE A 117
None
0.76A 4klrA-1bwdA:
undetectable
4klrA-1bwdA:
22.44
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.
1c0n PROTEIN (CSDB
PROTEIN)


(Escherichia
coli)
PF00266
(Aminotran_5)
4 LEU A 157
PRO A 158
LEU A 160
ILE A 144
None
0.98A 4klrA-1c0nA:
undetectable
4klrA-1c0nA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d2f MALY PROTEIN

(Escherichia
coli)
PF00155
(Aminotran_1_2)
4 LEU A 328
LEU A 331
ILE A 386
ARG A 387
None
0.93A 4klrA-1d2fA:
2.2
4klrA-1d2fA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d2f MALY PROTEIN

(Escherichia
coli)
PF00155
(Aminotran_1_2)
4 PRO A 330
LEU A 331
ILE A 386
ARG A 387
None
0.95A 4klrA-1d2fA:
2.2
4klrA-1d2fA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d3b PROTEIN (SMALL
NUCLEAR
RIBONUCLEOPROTEIN SM
D3)
PROTEIN (SMALL
NUCLEAR
RIBONUCLEOPROTEIN
ASSOCIATED PROTEIN
B)


(Homo sapiens;
Homo sapiens)
PF01423
(LSM)
PF01423
(LSM)
4 LEU A  73
PRO A  74
LEU B  69
ILE B  41
None
GOL  A 614 (-3.5A)
None
None
0.76A 4klrA-1d3bA:
undetectable
4klrA-1d3bA:
11.82
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.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)


(Aspergillus
nidulans)
PF01761
(DHQ_synthase)
4 LEU A 325
PRO A 326
LEU A 320
ILE A 196
None
0.93A 4klrA-1dqsA:
3.9
4klrA-1dqsA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lvw GLUCOSE-1-PHOSPHATE
THYMIDYLYLTRANSFERAS
E


(Methanothermobacter
thermautotrophicus)
PF00483
(NTP_transferase)
4 LEU A  38
PRO A  37
LEU A  41
ILE A  49
None
1.02A 4klrA-1lvwA:
2.3
4klrA-1lvwA:
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.
1o73 TRYPAREDOXIN

(Trypanosoma
brucei)
PF13905
(Thioredoxin_8)
4 LEU A   8
PRO A   9
LEU A  89
ILE A  68
None
1.07A 4klrA-1o73A:
undetectable
4klrA-1o73A:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qho ALPHA-AMYLASE

(Geobacillus
stearothermophilus)
PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C)
4 LEU A  58
PRO A  59
LEU A  61
ILE A  69
None
1.00A 4klrA-1qhoA:
undetectable
4klrA-1qhoA:
17.83
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.
1qr7 PHENYLALANINE-REGULA
TED
3-DEOXY-D-ARABINO-HE
PTULOSONATE-7-PHOSPH
ATE SYNTHASE


(Escherichia
coli)
PF00793
(DAHP_synth_1)
4 LEU A 258
PRO A 259
LEU A 253
ILE A 197
None
1.02A 4klrA-1qr7A:
undetectable
4klrA-1qr7A:
22.66
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.
1si2 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 2C
1


(Homo sapiens)
PF02170
(PAZ)
4 LEU A 323
PRO A 324
LEU A 339
ILE A 229
None
0.65A 4klrA-1si2A:
undetectable
4klrA-1si2A:
18.38
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.
1u2l PEROXIDASE/CATALASE
HPI


(Escherichia
coli)
PF00141
(peroxidase)
4 LEU A 510
PRO A 511
LEU A 513
ILE A 529
None
1.05A 4klrA-1u2lA:
undetectable
4klrA-1u2lA:
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.
1uzg MAJOR ENVELOPE
PROTEIN E


(Dengue virus)
PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C)
4 LEU A 214
PRO A 215
LEU A 216
ILE A 125
None
0.79A 4klrA-1uzgA:
undetectable
4klrA-1uzgA:
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.
1yq1 GLUTATHIONE
S-TRANSFERASE


(Caenorhabditis
elegans)
PF02798
(GST_N)
PF14497
(GST_C_3)
4 LEU A 160
PRO A  17
LEU A  20
ILE A 196
None
0.98A 4klrA-1yq1A:
undetectable
4klrA-1yq1A:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ad1 SULFOTRANSFERASE 1C2

(Homo sapiens)
PF00685
(Sulfotransfer_1)
4 LEU A 115
PRO A 116
LEU A 119
ILE A 126
None
0.75A 4klrA-2ad1A:
undetectable
4klrA-2ad1A:
23.44
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.
2afb 2-KETO-3-DEOXYGLUCON
ATE KINASE


(Thermotoga
maritima)
PF00294
(PfkB)
4 LEU A 143
PRO A 137
LEU A 139
ILE A 110
None
0.93A 4klrA-2afbA:
2.0
4klrA-2afbA:
24.82
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.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
ALPHA CHAIN


(Torpedo
marmorata)
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb)
4 LEU A  80
PRO A  81
LEU A 108
ILE A 116
None
1.04A 4klrA-2bg9A:
undetectable
4klrA-2bg9A:
21.38
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR


(Escherichia
coli)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF)
4 LEU A 339
LEU A  30
ILE A  34
ARG A  37
None
0.84A 4klrA-2eyqA:
3.6
4klrA-2eyqA:
15.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera)
PF00723
(Glyco_hydro_15)
4 LEU A 433
PRO A 373
LEU A 376
ILE A 387
None
1.08A 4klrA-2f6dA:
undetectable
4klrA-2f6dA:
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.
2fv0 UNSATURATED
GLUCURONYL HYDROLASE


(Bacillus sp.
GL1)
PF07470
(Glyco_hydro_88)
4 LEU A 154
PRO A 155
ILE A 131
ARG A 123
None
0.96A 4klrA-2fv0A:
undetectable
4klrA-2fv0A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i4n PROLINE-TRNA LIGASE

(Rhodopseudomonas
palustris)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
4 LEU A 128
PRO A 129
LEU A 130
ILE A 122
None
1.07A 4klrA-2i4nA:
undetectable
4klrA-2i4nA:
25.79
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.
2ijd PICORNAIN 3C,
RNA-DIRECTED RNA
POLYMERASE


(Enterovirus C)
PF00548
(Peptidase_C3)
PF00680
(RdRP_1)
4 LEU 1 630
PRO 1 631
LEU 1 616
ILE 1 619
None
SO4  1 649 (-3.4A)
None
None
0.99A 4klrA-2ijd1:
undetectable
4klrA-2ijd1:
20.26
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.
2it1 362AA LONG
HYPOTHETICAL
MALTOSE/MALTODEXTRIN
TRANSPORT
ATP-BINDING PROTEIN


(Pyrococcus
horikoshii)
PF00005
(ABC_tran)
4 LEU A 259
PRO A 260
LEU A 251
ILE A 279
None
0.87A 4klrA-2it1A:
undetectable
4klrA-2it1A:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j6l ALDEHYDE
DEHYDROGENASE FAMILY
7 MEMBER A1


(Homo sapiens)
PF00171
(Aldedh)
4 LEU A 216
PRO A 217
LEU A 211
ILE A  86
None
0.91A 4klrA-2j6lA:
2.0
4klrA-2j6lA:
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.
2jg7 ANTIQUITIN

(Acanthopagrus
schlegelii)
PF00171
(Aldedh)
4 LEU A 214
PRO A 215
LEU A 209
ILE A  84
None
0.91A 4klrA-2jg7A:
3.8
4klrA-2jg7A:
20.91
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.
2jgz CELL DIVISION
PROTEIN KINASE 2


(Homo sapiens)
PF00069
(Pkinase)
4 LEU A  87
PRO A 130
LEU A 133
ILE A 141
None
0.97A 4klrA-2jgzA:
undetectable
4klrA-2jgzA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nwq PROBABLE SHORT-CHAIN
DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF00106
(adh_short)
4 LEU A 122
PRO A 123
LEU A 125
ILE A 134
None
0.92A 4klrA-2nwqA:
3.2
4klrA-2nwqA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ox6 HYPOTHETICAL PROTEIN
SO3848


(Shewanella
oneidensis)
PF14590
(DUF4447)
4 LEU A 107
PRO A 108
LEU A 112
ILE A  62
None
0.84A 4klrA-2ox6A:
3.2
4klrA-2ox6A:
18.62
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.
2p3h UNCHARACTERIZED CBS
DOMAIN-CONTAINING
PROTEIN


(Corynebacterium
glutamicum)
PF03471
(CorC_HlyC)
4 LEU A  34
PRO A  35
LEU A  45
ILE A  42
None
0.95A 4klrA-2p3hA:
undetectable
4klrA-2p3hA:
15.53
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.
2ptz ENOLASE

(Trypanosoma
brucei)
PF00113
(Enolase_C)
PF03952
(Enolase_N)
4 LEU A 222
PRO A 221
LEU A 225
ILE A 240
None
1.02A 4klrA-2ptzA:
undetectable
4klrA-2ptzA:
22.39
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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE


(Arabidopsis
thaliana)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
4 LEU A 172
PRO A 171
LEU A 175
ILE A 181
None
1.07A 4klrA-2q49A:
2.0
4klrA-2q49A:
22.28
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.
2xes PROTEIN PAT1 HOMOLOG
1


(Homo sapiens)
PF09770
(PAT1)
4 LEU A 601
PRO A 602
LEU A 604
ILE A 612
None
1.06A 4klrA-2xesA:
undetectable
4klrA-2xesA:
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N


(Prochlorococcus
marinus)
PF00148
(Oxidored_nitro)
4 LEU C 300
PRO C 299
LEU C 238
ILE C 387
None
0.95A 4klrA-2ynmC:
3.3
4klrA-2ynmC:
22.74
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.
2zet RAS-RELATED PROTEIN
RAB-27B


(Mus musculus)
PF00071
(Ras)
4 LEU A  12
LEU A 177
ILE A 181
ARG A 184
None
0.88A 4klrA-2zetA:
4.5
4klrA-2zetA:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zr2 SERYL-TRNA
SYNTHETASE


(Pyrococcus
horikoshii)
PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N)
4 LEU A 106
PRO A 107
LEU A   2
ILE A   7
None
0.77A 4klrA-2zr2A:
undetectable
4klrA-2zr2A:
21.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens)
PF00762
(Ferrochelatase)
4 LEU A 101
PRO A 102
LEU A 107
ILE A 111
CHD  A   3 ( 4.9A)
CHD  A   3 ( 4.7A)
CHD  A   3 ( 4.6A)
CHD  A   2 ( 4.7A)
0.52A 4klrA-3aqiA:
53.6
4klrA-3aqiA:
99.16
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.
3b8a HEXOKINASE-1

(Saccharomyces
cerevisiae)
PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2)
4 LEU X 314
LEU X 384
ILE X 388
ARG X 391
None
1.07A 4klrA-3b8aX:
undetectable
4klrA-3b8aX:
21.66
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.
3bd9 HEPARAN SULFATE
GLUCOSAMINE
3-O-SULFOTRANSFERASE
5


(Homo sapiens)
PF00685
(Sulfotransfer_1)
4 LEU A 263
PRO A 262
LEU A 266
ILE A 279
None
1.06A 4klrA-3bd9A:
3.6
4klrA-3bd9A:
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.
3bdd REGULATORY PROTEIN
MARR


(Streptococcus
suis)
PF01047
(MarR)
4 LEU A  36
LEU A  39
ILE A  74
ARG A  76
None
1.05A 4klrA-3bddA:
undetectable
4klrA-3bddA:
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.
3bl9 SCAVENGER
MRNA-DECAPPING
ENZYME DCPS


(Homo sapiens)
PF05652
(DcpS)
PF11969
(DcpS_C)
4 LEU A 327
PRO A 326
LEU A 330
ILE A 161
None
0.98A 4klrA-3bl9A:
undetectable
4klrA-3bl9A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bv6 METAL-DEPENDENT
HYDROLASE


(Vibrio cholerae)
PF13483
(Lactamase_B_3)
4 LEU A 102
PRO A 101
LEU A  24
ILE A  28
None
0.60A 4klrA-3bv6A:
undetectable
4klrA-3bv6A:
22.25
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.
3cmv PROTEIN RECA

(Escherichia
coli)
PF00154
(RecA)
4 LEU A3056
PRO A3057
LEU A3188
ILE A3190
None
1.06A 4klrA-3cmvA:
2.1
4klrA-3cmvA:
14.05
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.
3ctd PUTATIVE ATPASE, AAA
FAMILY


(Prochlorococcus
marinus)
PF12002
(MgsA_C)
PF16193
(AAA_assoc_2)
4 LEU A 299
LEU A 344
ILE A 270
ARG A 271
None
1.03A 4klrA-3ctdA:
undetectable
4klrA-3ctdA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dxn CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE ISOFORM 3


(Toxoplasma
gondii)
PF00069
(Pkinase)
4 LEU A 108
PRO A 149
LEU A 152
ILE A 163
None
1.06A 4klrA-3dxnA:
undetectable
4klrA-3dxnA:
25.94
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.
3e03 SHORT CHAIN
DEHYDROGENASE


(Xanthomonas
campestris)
PF13561
(adh_short_C2)
4 LEU A 134
PRO A 135
LEU A 137
ILE A 145
None
0.88A 4klrA-3e03A:
3.0
4klrA-3e03A:
21.35
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.
3i1j OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY


(Pseudomonas
syringae group
genomosp. 3)
PF00106
(adh_short)
4 LEU A 137
PRO A 138
LEU A 140
ILE A 148
None
0.88A 4klrA-3i1jA:
2.9
4klrA-3i1jA:
21.24
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.
3i2t EPIDERMAL GROWTH
FACTOR RECEPTOR,
ISOFORM A


(Drosophila
melanogaster)
PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV)
4 LEU A  42
PRO A  43
LEU A  47
ARG A  24
None
0.92A 4klrA-3i2tA:
undetectable
4klrA-3i2tA:
21.06
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.
3ib5 SEX PHEROMONE
PRECURSOR


(Lactobacillus
salivarius)
PF07537
(CamS)
4 LEU A 343
PRO A 344
LEU A 314
ILE A 316
None
0.75A 4klrA-3ib5A:
undetectable
4klrA-3ib5A:
20.51
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.
3k3p D-ALANINE--D-ALANINE
LIGASE


(Streptococcus
mutans)
PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C)
4 LEU A  93
PRO A  91
LEU A   9
ILE A  43
None
0.96A 4klrA-3k3pA:
4.2
4klrA-3k3pA:
24.35
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.
3lij CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE WITH A KINASE
DOMAIN AND 4
CALMODULIN LIKE EF
HANDS


(Cryptosporidium
parvum)
PF00069
(Pkinase)
PF13499
(EF-hand_7)
4 LEU A 146
PRO A 187
LEU A 190
ILE A 201
None
1.02A 4klrA-3lijA:
undetectable
4klrA-3lijA:
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.
3mkv PUTATIVE
AMIDOHYDROLASE


(unidentified)
PF01979
(Amidohydro_1)
4 LEU A 401
PRO A 400
LEU A 413
ILE A  48
None
0.91A 4klrA-3mkvA:
undetectable
4klrA-3mkvA:
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.
3omx CG14216

(Drosophila
melanogaster)
PF04722
(Ssu72)
4 LEU A  45
PRO A  46
LEU A  82
ARG A  88
None
0.99A 4klrA-3omxA:
4.5
4klrA-3omxA:
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.
3pv2 DEGQ

(Legionella
fallonii)
PF13180
(PDZ_2)
PF13365
(Trypsin_2)
4 LEU A 118
LEU A 106
ILE A  86
ARG A  87
None
0.97A 4klrA-3pv2A:
undetectable
4klrA-3pv2A:
22.15
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.
3pv4 DEGQ

(Legionella
fallonii)
PF13180
(PDZ_2)
PF13365
(Trypsin_2)
4 LEU A 118
LEU A 106
ILE A  86
ARG A  87
None
0.83A 4klrA-3pv4A:
undetectable
4klrA-3pv4A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sft CHEMOTAXIS RESPONSE
REGULATOR
PROTEIN-GLUTAMATE
METHYLESTERASE


(Thermotoga
maritima)
PF01339
(CheB_methylest)
4 LEU A 180
PRO A 181
LEU A 212
ILE A 188
None
0.93A 4klrA-3sftA:
2.5
4klrA-3sftA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uf5 MACROPHAGE
COLONY-STIMULATING
FACTOR 1


(Mus musculus)
PF05337
(CSF-1)
4 LEU A 111
PRO A 110
LEU A 114
ILE A  23
None
1.02A 4klrA-3uf5A:
undetectable
4klrA-3uf5A:
17.96
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.
4arr TOLL RECEPTOR,
VARIABLE LYMPHOCYTE
RECEPTOR B.61
CHIMERA


(Drosophila
melanogaster;
Eptatretus
burgeri)
PF11921
(DUF3439)
PF13855
(LRR_8)
4 LEU A  90
PRO A  91
LEU A 122
ILE A 118
None
0.99A 4klrA-4arrA:
undetectable
4klrA-4arrA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bgv MALATE DEHYDROGENASE

(Picrophilus
torridus)
PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C)
4 LEU A 203
PRO A 204
ILE A 211
ARG A 214
None
1.04A 4klrA-4bgvA:
3.4
4klrA-4bgvA:
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.
4boo ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA


(Torpedo
marmorata)
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb)
4 LEU A  80
PRO A  81
LEU A 108
ILE A 116
None
1.02A 4klrA-4booA:
undetectable
4klrA-4booA:
21.26
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.
4cxf RNA POLYMERASE SIGMA
FACTOR CNRH


(Cupriavidus
metallidurans)
PF04542
(Sigma70_r2)
PF08281
(Sigma70_r4_2)
4 LEU A 135
LEU A 138
ILE A 146
ARG A 178
None
None
None
SO4  B1031 (-2.6A)
0.87A 4klrA-4cxfA:
undetectable
4klrA-4cxfA:
20.94
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.
4e37 CATALASE

(Pseudomonas
aeruginosa)
PF00199
(Catalase)
PF06628
(Catalase-rel)
4 PRO A 467
LEU A 463
ILE A 459
ARG A 456
None
0.94A 4klrA-4e37A:
undetectable
4klrA-4e37A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jza UNCHARACTERIZED
PROTEIN


(Legionella
longbeachae)
no annotation 4 LEU A 626
PRO A 627
ILE A 634
ARG A 637
None
0.70A 4klrA-4jzaA:
undetectable
4klrA-4jzaA:
19.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k26 CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1


(Mus musculus)
PF00106
(adh_short)
4 LEU A 155
PRO A 156
LEU A 158
ILE A 165
None
0.83A 4klrA-4k26A:
4.1
4klrA-4k26A:
21.37
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.
4krf PROTEIN ARGONAUTE-1

(Homo sapiens)
PF02170
(PAZ)
PF02171
(Piwi)
PF08699
(ArgoL1)
PF16486
(ArgoN)
PF16487
(ArgoMid)
PF16488
(ArgoL2)
4 LEU A 323
PRO A 324
LEU A 339
ILE A 229
None
0.72A 4klrA-4krfA:
4.9
4klrA-4krfA:
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.
4n5a PROTEIN EFR3

(Saccharomyces
cerevisiae)
no annotation 4 LEU A 450
PRO A 446
LEU A 420
ILE A 424
None
0.92A 4klrA-4n5aA:
undetectable
4klrA-4n5aA:
20.40
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.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1


(Homo sapiens)
PF05994
(FragX_IP)
PF07159
(DUF1394)
4 LEU A 492
PRO A 495
LEU A 511
ILE A 514
None
1.02A 4klrA-4n78A:
undetectable
4klrA-4n78A:
15.97
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.
4nzy PROBABLE THYMIDYLATE
KINASE


(Sulfurisphaera
tokodaii)
PF02223
(Thymidylate_kin)
4 LEU A   6
PRO A 122
ILE A  79
ARG A  74
None
PEG  A 307 (-4.0A)
None
PEG  A 304 ( 3.8A)
0.93A 4klrA-4nzyA:
2.4
4klrA-4nzyA:
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.
4o8q COATOMER SUBUNIT
DELTA


(Bos taurus)
PF00928
(Adap_comp_sub)
4 LEU A 376
PRO A 375
LEU A 397
ILE A 445
None
0.99A 4klrA-4o8qA:
undetectable
4klrA-4o8qA:
18.85
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.
4pxn UNCHARACTERIZED
PROTEIN


(Zea mays)
PF00171
(Aldedh)
4 LEU A 214
PRO A 215
LEU A 209
ILE A  84
None
0.80A 4klrA-4pxnA:
2.5
4klrA-4pxnA:
23.20
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.
4pzv 2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE/DI
HYDROPTEROATE
SYNTHASE


(Francisella
tularensis)
PF00809
(Pterin_bind)
PF01288
(HPPK)
4 LEU A 388
PRO A 383
LEU A 386
ARG A 402
None
1.00A 4klrA-4pzvA:
2.8
4klrA-4pzvA:
21.70
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.
4ryb 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3


(Neisseria
meningitidis)
PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III)
4 PRO A 284
LEU A 287
ILE A 291
ARG A 298
None
0.90A 4klrA-4rybA:
undetectable
4klrA-4rybA:
19.28
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.
4txg CHITINASE

(Chromobacterium
violaceum)
PF00704
(Glyco_hydro_18)
PF06483
(ChiC)
4 LEU A 689
PRO A 690
LEU A 773
ILE A 657
None
0.81A 4klrA-4txgA:
undetectable
4klrA-4txgA:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uow TITIN

(Homo sapiens)
PF07679
(I-set)
4 LEU 1  29
LEU 1  67
ILE 1  69
ARG 1  55
None
0.76A 4klrA-4uow1:
undetectable
4klrA-4uow1:
12.97
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.
4xq6 DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)


(Mycobacterium
tuberculosis)
PF01180
(DHO_dh)
4 LEU A  62
PRO A  61
LEU A 311
ILE A 294
None
0.81A 4klrA-4xq6A:
undetectable
4klrA-4xq6A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yc6 CYCLIN-DEPENDENT
KINASE 1


(Homo sapiens)
PF00069
(Pkinase)
4 LEU A  87
PRO A 131
LEU A 134
ILE A 142
None
0.91A 4klrA-4yc6A:
undetectable
4klrA-4yc6A:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ysj CALMODULIN-LIKE
DOMAIN PROTEIN
KINASE


(Eimeria tenella)
PF00069
(Pkinase)
PF13499
(EF-hand_7)
4 LEU A 113
PRO A 154
LEU A 157
ILE A 168
None
0.95A 4klrA-4ysjA:
undetectable
4klrA-4ysjA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zyj DNMZ

(Streptomyces
peucetius)
PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
4 LEU A  37
PRO A  38
LEU A  40
ILE A  93
None
1.04A 4klrA-4zyjA:
undetectable
4klrA-4zyjA:
22.62
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.
5b01 MOEN5

(Streptomyces
viridosporus)
no annotation 4 LEU A  59
PRO A  39
LEU A  42
ARG A 171
None
0.95A 4klrA-5b01A:
undetectable
4klrA-5b01A:
21.00
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.
5b0l MOEN5,DNA-BINDING
PROTEIN 7D


(Sulfolobus
solfataricus;
Streptomyces
viridosporus)
no annotation 4 LEU A  59
PRO A  39
LEU A  42
ARG A 171
None
1.03A 4klrA-5b0lA:
undetectable
4klrA-5b0lA:
21.73
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.
5bvr ALPHA-ACTININ-LIKE
PROTEIN 1


(Schizosaccharomyces
pombe)
PF00307
(CH)
4 LEU A  27
PRO A  28
LEU A  22
ILE A  49
None
0.93A 4klrA-5bvrA:
undetectable
4klrA-5bvrA:
21.41
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.
5e2h BETA-LACTAMASE

(Mycolicibacterium
smegmatis)
PF00144
(Beta-lactamase)
4 LEU A  90
PRO A  83
LEU A  87
ILE A 126
None
1.07A 4klrA-5e2hA:
undetectable
4klrA-5e2hA:
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.
5fbh EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR


(Homo sapiens)
no annotation 4 LEU B  88
PRO B  89
LEU B  91
ILE B  32
MG  B 603 (-4.5A)
None
None
None
0.91A 4klrA-5fbhB:
3.0
4klrA-5fbhB:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR


(Homo sapiens)
PF01094
(ANF_receptor)
PF07562
(NCD3G)
4 LEU A  88
PRO A  89
LEU A  91
ILE A  32
None
0.92A 4klrA-5k5tA:
4.4
4klrA-5k5tA:
20.13
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.
5kbm CELL SURFACE CU-ONLY
SUPEROXIDE DISMUTASE
5


(Candida
albicans)
PF00080
(Sod_Cu)
4 LEU A 137
PRO A  28
LEU A  30
ILE A 145
None
1.06A 4klrA-5kbmA:
undetectable
4klrA-5kbmA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mpt CITRININ POLYKETIDE
SYNTHASE


(Monascus
purpureus)
PF08242
(Methyltransf_12)
4 LEU A1874
LEU A1879
ILE A1845
ARG A1846
None
0.74A 4klrA-5mptA:
undetectable
4klrA-5mptA:
24.35
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.
5nr1 FTSZ-BINDING PROTEIN
FZLA


(Caulobacter
vibrioides)
PF00043
(GST_C)
PF13417
(GST_N_3)
4 LEU A  28
PRO A  29
LEU A  23
ILE A  77
None
1.04A 4klrA-5nr1A:
undetectable
4klrA-5nr1A:
20.43
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.
5ns8 -

(-)
no annotation 4 LEU A 305
PRO A 306
LEU A 239
ILE A 261
GOL  A 504 (-3.6A)
None
None
None
0.90A 4klrA-5ns8A:
undetectable
4klrA-5ns8A:
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.
5o98 ALCOHOL
DEHYDROGENASE 1


(Catharanthus
roseus)
no annotation 4 LEU A 151
PRO A 152
LEU A 154
ILE A 162
None
0.88A 4klrA-5o98A:
2.7
4klrA-5o98A:
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.
5v8f ORIGIN RECOGNITION
COMPLEX SUBUNIT 5


(Saccharomyces
cerevisiae)
PF13401
(AAA_22)
PF14630
(ORC5_C)
4 LEU E 108
PRO E 105
LEU E  74
ILE E  77
None
0.78A 4klrA-5v8fE:
undetectable
4klrA-5v8fE:
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.
5vap MINOR NUCLEOPROTEIN
VP30


(Zaire
ebolavirus)
PF11507
(Transcript_VP30)
4 LEU A 170
LEU A 167
ILE A 159
ARG A 160
None
0.89A 4klrA-5vapA:
undetectable
4klrA-5vapA:
15.85
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.
5vgt GENE 7 PROTEIN

(Shigella virus
Sf6)
no annotation 4 LEU A  74
PRO A  75
LEU A   5
ILE A  10
None
0.90A 4klrA-5vgtA:
undetectable
4klrA-5vgtA:
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.
5wea PROTEIN ARGONAUTE-2

(Homo sapiens)
no annotation 4 LEU A 325
PRO A 326
LEU A 341
ILE A 231
None
0.66A 4klrA-5weaA:
4.5
4klrA-5weaA:
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.
5wpi HSVA

(Erwinia
amylovora)
no annotation 4 LEU A 354
PRO A 121
LEU A 125
ILE A 132
LEU  A 354 ( 0.6A)
PRO  A 121 ( 1.1A)
LEU  A 125 ( 0.5A)
ILE  A 132 ( 0.6A)
0.92A 4klrA-5wpiA:
undetectable
4klrA-5wpiA:
23.35
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.
5y9d ACYL-COENZYME A
OXIDASE 1


(Yarrowia
lipolytica)
no annotation 4 PRO A  52
LEU A  54
ILE A  48
ARG A  93
None
1.06A 4klrA-5y9dA:
undetectable
4klrA-5y9dA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yk7 MAINTENANCE OF
MITOCHONDRIAL
MORPHOLOGY PROTEIN 1


(Zygosaccharomyces
rouxii)
no annotation 4 LEU A 258
PRO A 259
LEU A 262
ILE A 265
None
0.92A 4klrA-5yk7A:
undetectable
4klrA-5yk7A:
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.
6b8s DIHYDROOROTATE
DEHYDROGENASE
(QUINONE)


(Helicobacter
pylori)
no annotation 4 LEU A  63
PRO A  62
LEU A 309
ILE A 292
None
0.89A 4klrA-6b8sA:
undetectable
4klrA-6b8sA:
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.
6bs7 ADENYLOSUCCINATE
SYNTHETASE


(Legionella
pneumophila)
no annotation 4 LEU A  80
PRO A  77
LEU A  75
ILE A  69
None
0.87A 4klrA-6bs7A:
undetectable
4klrA-6bs7A:
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.
6es9 ACYL-COA
DEHYDROGENASE


(Paracoccus
denitrificans)
no annotation 4 LEU A  23
PRO A  24
LEU A  26
ILE A  72
None
1.06A 4klrA-6es9A:
undetectable
4klrA-6es9A:
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.
6ezy -

(-)
no annotation 4 LEU A 110
PRO A 109
LEU A 113
ILE A 179
LEU  A 110 ( 0.6A)
PRO  A 109 ( 1.1A)
LEU  A 113 ( 0.6A)
ILE  A 179 ( 0.7A)
0.84A 4klrA-6ezyA:
undetectable
4klrA-6ezyA:
undetectable