SIMILAR PATTERNS OF AMINO ACIDS FOR 4CCQ_A_ACTA1317

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.
13pk 3-PHOSPHOGLYCERATE
KINASE

(Trypanosoma
brucei) 		PF00162
(PGK) 		3 LEU A  63
GLU A 132
SER A  61
 None
 0.61A 4ccqA-13pkA:
1.7		 4ccqA-13pkA:
23.83
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.
1a79 TRNA ENDONUCLEASE

(Methanocaldococcus
jannaschii) 		PF01974
(tRNA_int_endo)
PF02778
(tRNA_int_endo_N) 		3 LEU A 114
GLU A 116
SER A 126
 None
None
SO4  A   1 (-2.4A)
 0.59A 4ccqA-1a79A:
undetectable		 4ccqA-1a79A:
20.99
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.
1dce PROTEIN (RAB
GERANYLGERANYLTRANSF
ERASE ALPHA SUBUNIT)

(Rattus
norvegicus) 		PF01239
(PPTA)
PF07711
(RabGGT_insert) 		3 LEU A 430
GLU A 432
SER A 434
 None
 0.71A 4ccqA-1dceA:
undetectable		 4ccqA-1dceA:
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.
1f7u ARGINYL-TRNA
SYNTHETASE

(Saccharomyces
cerevisiae) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		3 LEU A 240
GLU A 241
SER A 243
 None
 0.74A 4ccqA-1f7uA:
4.2		 4ccqA-1f7uA:
21.84
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.
1ff3 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Escherichia
coli) 		PF01625
(PMSR) 		3 LEU A 153
GLU A 154
SER A 152
 None
 0.84A 4ccqA-1ff3A:
undetectable		 4ccqA-1ff3A:
20.45
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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		3 LEU A 407
GLU A  47
SER A 405
 None
 0.70A 4ccqA-1fw8A:
0.3		 4ccqA-1fw8A:
23.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hdi PHOSPHOGLYCERATE
KINASE

(Sus scrofa) 		PF00162
(PGK) 		3 LEU A  63
GLU A 119
SER A  61
 None
 0.63A 4ccqA-1hdiA:
1.0		 4ccqA-1hdiA:
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.
1jhd SULFATE
ADENYLYLTRANSFERASE

(Sulfur-oxidizing
endosymbiont of
Riftia
pachyptila) 		PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		3 LEU A  86
GLU A  88
SER A  37
 None
None
BR  A2007 ( 3.9A)
 0.75A 4ccqA-1jhdA:
0.7		 4ccqA-1jhdA:
20.87
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.
1k2p TYROSINE-PROTEIN
KINASE BTK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 LEU A 569
GLU A 567
SER A 572
 None
 0.82A 4ccqA-1k2pA:
undetectable		 4ccqA-1k2pA:
23.72
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.
1kvk MEVALONATE KINASE

(Rattus
norvegicus) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		3 LEU A 327
GLU A 295
SER A 329
 None
 0.67A 4ccqA-1kvkA:
undetectable		 4ccqA-1kvkA:
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.
1ldk CULLIN HOMOLOG

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		3 LEU B 559
GLU B 560
SER B 557
 None
 0.64A 4ccqA-1ldkB:
undetectable		 4ccqA-1ldkB:
20.45
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.
1m64 FLAVOCYTOCHROME C3

(Shewanella
frigidimarina) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		3 LEU A  24
GLU A  23
SER A  25
 HEM  A 801 ( 4.5A)
None
None
 0.84A 4ccqA-1m64A:
15.2		 4ccqA-1m64A:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mil SHC ADAPTOR PROTEIN

(Homo sapiens) 		PF00017
(SH2) 		3 LEU A  94
GLU A  93
SER A  89
 None
 0.74A 4ccqA-1milA:
undetectable		 4ccqA-1milA:
16.40
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.
1nt2 CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF01798
(Nop) 		3 LEU B 255
GLU B 253
SER B 258
 None
 0.79A 4ccqA-1nt2B:
undetectable		 4ccqA-1nt2B:
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.
1o4u TYPE II QUINOLIC
ACID
PHOSPHORIBOSYLTRANSF
ERASE

(Thermotoga
maritima) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		3 LEU A  59
GLU A  81
SER A  61
 None
 0.71A 4ccqA-1o4uA:
3.3		 4ccqA-1o4uA:
26.94
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.
1pog OCT-1 POU
HOMEODOMAIN
DNA-BINDING PROTEIN

(Homo sapiens) 		PF00046
(Homeobox) 		3 LEU A  17
GLU A  18
SER A  20
 None
 0.82A 4ccqA-1pogA:
undetectable		 4ccqA-1pogA:
11.18
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.
1qpg 3-PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		3 LEU A  63
GLU A 118
SER A  61
 None
 0.70A 4ccqA-1qpgA:
undetectable		 4ccqA-1qpgA:
24.00
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.
1rcw CT610

(Chlamydia
trachomatis) 		PF03070
(TENA_THI-4) 		3 LEU A 201
GLU A 202
SER A 204
 None
 0.80A 4ccqA-1rcwA:
undetectable		 4ccqA-1rcwA:
20.18
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.
1rzr GLUCOSE-RESISTANCE
AMYLASE REGULATOR

(Bacillus
megaterium) 		no annotation 3 LEU G 135
GLU G 134
SER G 138
 None
 0.79A 4ccqA-1rzrG:
5.9		 4ccqA-1rzrG:
23.93
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.
1ujd KIAA0559 PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		3 LEU A  57
GLU A  63
SER A  61
 None
 0.82A 4ccqA-1ujdA:
undetectable		 4ccqA-1ujdA:
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.
1vi1 FATTY
ACID/PHOSPHOLIPID
SYNTHESIS PROTEIN
PLSX

(Bacillus
subtilis) 		PF02504
(FA_synthesis) 		3 LEU A 235
GLU A 236
SER A 238
 None
 0.74A 4ccqA-1vi1A:
undetectable		 4ccqA-1vi1A:
23.39
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.
1vpe PHOSPHOGLYCERATE
KINASE

(Thermotoga
maritima) 		PF00162
(PGK) 		3 LEU A  60
GLU A 115
SER A  58
 None
 0.70A 4ccqA-1vpeA:
2.1		 4ccqA-1vpeA:
23.64
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.
1wz8 ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		3 LEU A   2
GLU A   6
SER A   4
 None
 0.78A 4ccqA-1wz8A:
undetectable		 4ccqA-1wz8A:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ymm T CELL RECEPTOR
ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set) 		3 LEU D  32
GLU D  55
SER D  51
 None
 0.56A 4ccqA-1ymmD:
undetectable		 4ccqA-1ymmD:
19.81
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.
1z5a TYPE II DNA
TOPOISOMERASE VI
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF05833
(FbpA)
PF09239
(Topo-VIb_trans) 		3 LEU A  39
GLU A  41
SER A  43
 None
None
ADP  A2001 ( 3.9A)
 0.83A 4ccqA-1z5aA:
undetectable		 4ccqA-1z5aA:
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.
1zgz TORCAD OPERON
TRANSCRIPTIONAL
REGULATORY PROTEIN
TORR

(Escherichia
coli) 		PF00072
(Response_reg) 		3 LEU A  68
GLU A  70
SER A  72
 None
 0.59A 4ccqA-1zgzA:
2.7		 4ccqA-1zgzA:
18.24
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.
1zmr PHOSPHOGLYCERATE
KINASE

(Escherichia
coli) 		PF00162
(PGK) 		3 LEU A  60
GLU A 110
SER A  58
 None
 0.72A 4ccqA-1zmrA:
1.9		 4ccqA-1zmrA:
22.41
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.
2agm POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF00353
(HemolysinCabind)
PF08548
(Peptidase_M10_C) 		3 LEU A 153
GLU A 154
SER A 159
 None
 0.78A 4ccqA-2agmA:
undetectable		 4ccqA-2agmA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		3 LEU A 218
GLU A 220
SER A 222
 None
 0.71A 4ccqA-2ajrA:
4.7		 4ccqA-2ajrA:
23.54
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.
2b99 RIBOFLAVIN SYNTHASE

(Methanocaldococcus
jannaschii) 		PF00885
(DMRL_synthase) 		3 LEU A  25
GLU A  27
SER A  29
 None
 0.74A 4ccqA-2b99A:
6.2		 4ccqA-2b99A:
20.45
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.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		3 LEU A 113
GLU A 111
SER A 116
 None
 0.76A 4ccqA-2cunA:
2.1		 4ccqA-2cunA:
22.95
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.
2dbn HYPOTHETICAL PROTEIN
YBIU

(Escherichia
coli) 		PF07350
(DUF1479) 		3 LEU A  10
GLU A 210
SER A   7
 None
 0.78A 4ccqA-2dbnA:
undetectable		 4ccqA-2dbnA:
21.60
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.
2dfv PROBABLE L-THREONINE
3-DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 LEU A 266
GLU A 242
SER A 264
 NAD  A1401 (-4.3A)
None
None
 0.62A 4ccqA-2dfvA:
3.5		 4ccqA-2dfvA:
21.31
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.
2dmp ZINC FINGERS AND
HOMEOBOXES PROTEIN 2

(Homo sapiens) 		PF00046
(Homeobox) 		3 LEU A  28
GLU A  29
SER A  31
 None
 0.82A 4ccqA-2dmpA:
undetectable		 4ccqA-2dmpA:
16.00
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.
2e1d TRANSALDOLASE

(Mus musculus) 		PF00923
(TAL_FSA) 		3 LEU A 270
GLU A  12
SER A 268
 None
 0.82A 4ccqA-2e1dA:
2.0		 4ccqA-2e1dA:
21.82
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.
2eyq TRANSCRIPTION-REPAIR
COUPLING FACTOR

(Escherichia
coli) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02559
(CarD_CdnL_TRCF)
PF03461
(TRCF) 		3 LEU A 288
GLU A 289
SER A 291
 None
 0.74A 4ccqA-2eyqA:
undetectable		 4ccqA-2eyqA:
14.31
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.
2fjg VASCULAR ENDOTHELIAL
GROWTH FACTOR A

(Homo sapiens) 		PF00341
(PDGF) 		3 LEU V  97
GLU V  38
SER V  95
 None
 0.72A 4ccqA-2fjgV:
undetectable		 4ccqA-2fjgV:
15.46
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.
2hen EPHRIN TYPE-B
RECEPTOR 2

(Mus musculus) 		PF07714
(Pkinase_Tyr) 		3 LEU A 676
GLU A 678
SER A 680
 None
ADP  A 400 ( 4.9A)
None
 0.84A 4ccqA-2henA:
undetectable		 4ccqA-2henA:
22.87
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.
2i18 CALCIUM-BINDING
PROTEIN

(Entamoeba
histolytica) 		PF13499
(EF-hand_7) 		3 LEU A  60
GLU A  61
SER A  63
 None
 0.51A 4ccqA-2i18A:
undetectable		 4ccqA-2i18A:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ie8 PHOSPHOGLYCERATE
KINASE

(Thermus
caldophilus) 		PF00162
(PGK) 		3 LEU A  58
GLU A 112
SER A  56
 None
 0.74A 4ccqA-2ie8A:
3.0		 4ccqA-2ie8A:
21.74
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.
2ifg HIGH AFFINITY NERVE
GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF13855
(LRR_8)
PF16920
(TPKR_C2) 		3 LEU A 232
GLU A 233
SER A 235
 None
 0.69A 4ccqA-2ifgA:
undetectable		 4ccqA-2ifgA:
19.73
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.
2jsp TRANSCRIPTIONAL
REGULATORY PROTEIN
ROS

(Agrobacterium
tumefaciens) 		PF05443
(ROS_MUCR) 		3 LEU A  73
GLU A  68
SER A  71
 None
 0.73A 4ccqA-2jspA:
undetectable		 4ccqA-2jspA:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l90 PEPTIDE METHIONINE
SULFOXIDE REDUCTASE

(Mus musculus) 		PF01625
(PMSR) 		3 LEU A 171
GLU A 175
SER A 173
 None
 0.83A 4ccqA-2l90A:
undetectable		 4ccqA-2l90A:
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.
2ld3 MYOSIN VI

(Mus musculus) 		no annotation 3 LEU A  90
GLU A  88
SER A  86
 None
 0.71A 4ccqA-2ld3A:
undetectable		 4ccqA-2ld3A:
14.97
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.
2lv5 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF10052
(DUF2288) 		3 LEU A  11
GLU A   6
SER A   9
 None
 0.76A 4ccqA-2lv5A:
undetectable		 4ccqA-2lv5A:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2n0s FE-HYDROGENASE

(Chlamydomonas
reinhardtii) 		PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C) 		3 LEU A 406
GLU A 408
SER A 410
 None
 0.79A 4ccqA-2n0sA:
undetectable		 4ccqA-2n0sA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p4i ANGIOPOIETIN-1
RECEPTOR

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		3 LEU A1010
GLU A1008
SER A1013
 None
 0.68A 4ccqA-2p4iA:
undetectable		 4ccqA-2p4iA:
22.75
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.
2paa PHOSPHOGLYCERATE
KINASE, TESTIS
SPECIFIC

(Mus musculus) 		PF00162
(PGK) 		3 LEU A  63
GLU A 119
SER A  61
 None
 0.72A 4ccqA-2paaA:
2.0		 4ccqA-2paaA:
22.92
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.
2pyh POLY(BETA-D-MANNURON
ATE) C5 EPIMERASE 4

(Azotobacter
vinelandii) 		PF12708
(Pectate_lyase_3) 		3 LEU A 352
GLU A 376
SER A 374
 None
 0.84A 4ccqA-2pyhA:
undetectable		 4ccqA-2pyhA:
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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		3 LEU A 126
GLU A 127
SER A 129
 None
 0.73A 4ccqA-2q0xA:
undetectable		 4ccqA-2q0xA:
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.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron) 		PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		3 LEU A 194
GLU A 385
SER A 198
 None
 0.67A 4ccqA-2q1fA:
undetectable		 4ccqA-2q1fA:
15.41
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.
2r3v MEVALONATE KINASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		3 LEU A 327
GLU A 295
SER A 329
 None
 0.68A 4ccqA-2r3vA:
undetectable		 4ccqA-2r3vA:
23.29
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.
2uyo HYPOTHETICAL PROTEIN
ML2640

(Mycobacterium
leprae) 		PF04072
(LCM) 		3 LEU A 221
GLU A 303
SER A 219
 None
 0.71A 4ccqA-2uyoA:
2.8		 4ccqA-2uyoA:
21.07
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.
2vhf UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE CYLD

(Homo sapiens) 		PF00443
(UCH) 		3 LEU A 733
GLU A 735
SER A 737
 None
 0.78A 4ccqA-2vhfA:
undetectable		 4ccqA-2vhfA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vpn PERIPLASMIC
SUBSTRATE BINDING
PROTEIN

(Halomonas
elongata) 		PF03480
(DctP) 		3 LEU A 194
GLU A 196
SER A 198
 None
 0.52A 4ccqA-2vpnA:
undetectable		 4ccqA-2vpnA:
20.99
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		3 LEU A1748
GLU A1751
SER A1756
 None
 0.84A 4ccqA-2vz9A:
undetectable		 4ccqA-2vz9A:
8.26
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.
2w49 TROPOMYOSIN ALPHA-1
CHAIN

(Oryctolagus
cuniculus) 		PF00261
(Tropomyosin) 		3 LEU A 242
GLU A 243
SER A 245
 None
 0.78A 4ccqA-2w49A:
undetectable		 4ccqA-2w49A:
23.15
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.
2w5s PROCESSED GLYCEROL
PHOSPHATE
LIPOTEICHOIC ACID
SYNTHASE

(Staphylococcus
aureus) 		PF00884
(Sulfatase) 		3 LEU A 606
GLU A 607
SER A 609
 None
 0.71A 4ccqA-2w5sA:
undetectable		 4ccqA-2w5sA:
19.63
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.
2w7y PROBABLE SUGAR ABC
TRANSPORTER,
SUGAR-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		3 LEU A 357
GLU A 359
SER A 361
 None
 0.74A 4ccqA-2w7yA:
undetectable		 4ccqA-2w7yA:
23.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		3 LEU A 540
GLU A 541
SER A 543
 None
 0.75A 4ccqA-2wghA:
undetectable		 4ccqA-2wghA:
18.88
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.
2xa7 AP-2 COMPLEX SUBUNIT
BETA

(Homo sapiens) 		PF01602
(Adaptin_N) 		3 LEU B 465
GLU B 464
SER B 468
 None
 0.76A 4ccqA-2xa7B:
undetectable		 4ccqA-2xa7B:
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.
2xgo XCOGT

(Xanthomonas
campestris) 		PF13432
(TPR_16)
PF13844
(Glyco_transf_41) 		3 LEU A 257
GLU A 229
SER A 261
 None
 0.65A 4ccqA-2xgoA:
undetectable		 4ccqA-2xgoA:
18.95
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.
2yqu 2-OXOGLUTARATE
DEHYDROGENASE E3
COMPONENT

(Thermus
thermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		3 LEU A 208
GLU A 209
SER A 211
 None
 0.83A 4ccqA-2yquA:
24.5		 4ccqA-2yquA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		3 LEU A  57
GLU A  59
SER A  61
 None
 0.71A 4ccqA-3aamA:
2.2		 4ccqA-3aamA:
23.98
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 LEU A 856
GLU A 902
SER A 904
 None
 0.80A 4ccqA-3ak5A:
undetectable		 4ccqA-3ak5A:
15.81
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.
3alx HEMAGGLUTININ,LINKER
,CDW150

(Saguinus
oedipus;
Measles
morbillivirus;
synthetic
construct) 		PF00423
(HN)
PF06214
(SLAM) 		3 LEU A 284
GLU A 303
SER A 285
 None
 0.84A 4ccqA-3alxA:
undetectable		 4ccqA-3alxA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		3 LEU A 348
GLU A 351
SER A 353
 None
 0.67A 4ccqA-3aqiA:
undetectable		 4ccqA-3aqiA:
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.
3b0b CENTROMERE PROTEIN S

(Gallus gallus) 		no annotation 3 LEU B 100
GLU B  99
SER B 103
 None
 0.77A 4ccqA-3b0bB:
undetectable		 4ccqA-3b0bB:
17.79
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.
3b2d LYMPHOCYTE ANTIGEN
86

(Homo sapiens) 		PF02221
(E1_DerP2_DerF2) 		3 LEU C  38
GLU C  39
SER C  36
 None
 0.83A 4ccqA-3b2dC:
undetectable		 4ccqA-3b2dC:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b33 SENSOR PROTEIN

(Vibrio
parahaemolyticus) 		PF00989
(PAS) 		3 LEU A  35
GLU A  34
SER A  38
 None
 0.66A 4ccqA-3b33A:
undetectable		 4ccqA-3b33A:
17.03
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.
3bpk NITRILOTRIACETATE
MONOOXYGENASE
COMPONENT B

(Bacillus cereus) 		PF01613
(Flavin_Reduct) 		3 LEU A 193
GLU A  88
SER A 183
 None
 0.81A 4ccqA-3bpkA:
undetectable		 4ccqA-3bpkA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bqx GLYOXALASE-RELATED
ENZYME

(Fulvimarina
pelagi) 		PF00903
(Glyoxalase) 		3 LEU A  16
GLU A  17
SER A  19
 None
 0.72A 4ccqA-3bqxA:
undetectable		 4ccqA-3bqxA:
21.84
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.
3cp8 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Chlorobaculum
tepidum) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		3 LEU A 519
GLU A 520
SER A 522
 None
 0.70A 4ccqA-3cp8A:
12.2		 4ccqA-3cp8A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cux MALATE SYNTHASE

(Bacillus
anthracis) 		PF01274
(Malate_synthase) 		3 LEU A 169
GLU A 171
SER A 184
 None
 0.64A 4ccqA-3cuxA:
undetectable		 4ccqA-3cuxA:
20.15
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.
3cv2 MALATE SYNTHASE A

(Escherichia
coli) 		PF01274
(Malate_synthase) 		3 LEU A 172
GLU A 174
SER A 187
 None
 0.61A 4ccqA-3cv2A:
undetectable		 4ccqA-3cv2A:
19.30
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.
3dcy REGULATOR PROTEIN

(Homo sapiens) 		PF00300
(His_Phos_1) 		3 LEU A  70
GLU A  71
SER A  73
 None
 0.77A 4ccqA-3dcyA:
undetectable		 4ccqA-3dcyA:
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.
3enk UDP-GLUCOSE
4-EPIMERASE

(Burkholderia
pseudomallei) 		PF16363
(GDP_Man_Dehyd) 		3 LEU A 109
GLU A  66
SER A 107
 None
None
NAD  A 341 ( 4.8A)
 0.67A 4ccqA-3enkA:
5.1		 4ccqA-3enkA:
22.64
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.
3eq2 PROBABLE
TWO-COMPONENT
RESPONSE REGULATOR

(Pseudomonas
aeruginosa) 		PF00072
(Response_reg)
PF07228
(SpoIIE) 		3 LEU A  25
GLU A  26
SER A  28
 None
 0.82A 4ccqA-3eq2A:
2.3		 4ccqA-3eq2A:
23.60
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.
3err FUSION PROTEIN OF
MICROTUBULE BINDING
DOMAIN FROM MOUSE
CYTOPLASMIC DYNEIN
AND SERYL-TRNA
SYNTHETASE FROM
THERMUS THERMOPHILUS

(Thermus
thermophilus;
Mus musculus) 		PF00587
(tRNA-synt_2b)
PF12777
(MT) 		3 LEU A 288
GLU A 289
SER A 291
 None
 0.78A 4ccqA-3errA:
undetectable		 4ccqA-3errA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g5s METHYLENETETRAHYDROF
OLATE--TRNA-(URACIL-
5-)-METHYLTRANSFERAS
E TRMFO

(Thermus
thermophilus) 		PF01134
(GIDA) 		3 LEU A  11
GLU A  15
SER A 346
 FAD  A 444 (-4.2A)
None
FAD  A 444 (-3.3A)
 0.76A 4ccqA-3g5sA:
undetectable		 4ccqA-3g5sA:
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.
3g7s LONG-CHAIN-FATTY-ACI
D--COA LIGASE
(FADD-1)

(Archaeoglobus
fulgidus) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		3 LEU A 284
GLU A 285
SER A 287
 None
 0.66A 4ccqA-3g7sA:
2.5		 4ccqA-3g7sA:
20.39
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.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 LEU A 187
GLU A 188
SER A 185
 None
 0.83A 4ccqA-3gazA:
2.9		 4ccqA-3gazA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gfb L-THREONINE
3-DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 LEU A 266
GLU A 242
SER A 264
 NAD  A 500 (-4.2A)
None
None
 0.66A 4ccqA-3gfbA:
3.5		 4ccqA-3gfbA:
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.
3gv5 DNA POLYMERASE IOTA

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		3 LEU B 113
GLU B 115
SER B 117
 None
 0.83A 4ccqA-3gv5B:
undetectable		 4ccqA-3gv5B:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h5j 3-ISOPROPYLMALATE
DEHYDRATASE SMALL
SUBUNIT

(Mycobacterium
tuberculosis) 		PF00694
(Aconitase_C) 		3 LEU A 126
GLU A 128
SER A 130
 None
 0.73A 4ccqA-3h5jA:
undetectable		 4ccqA-3h5jA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hjc HEAT SHOCK PROTEIN
83-1

(Leishmania
major) 		PF00183
(HSP90) 		3 LEU A 210
GLU A 211
SER A 213
 None
 0.74A 4ccqA-3hjcA:
undetectable		 4ccqA-3hjcA:
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.
3iau THREONINE DEAMINASE

(Solanum
lycopersicum) 		PF00291
(PALP) 		3 LEU A 172
GLU A 173
SER A 175
 None
 0.81A 4ccqA-3iauA:
undetectable		 4ccqA-3iauA:
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.
3j9t V-TYPE PROTON ATPASE
SUBUNIT E

(Saccharomyces
cerevisiae) 		no annotation 3 LEU K 215
GLU K 213
SER K 211
 None
 0.84A 4ccqA-3j9tK:
undetectable		 4ccqA-3j9tK:
23.15
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42

(Schizosaccharomyces
pombe) 		PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV) 		3 LEU A1432
GLU A1433
SER A1435
 None
 0.82A 4ccqA-3jb9A:
undetectable		 4ccqA-3jb9A:
8.37
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.
3k70 EXODEOXYRIBONUCLEASE
V BETA CHAIN

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		3 LEU B 370
GLU B 368
SER B 366
 None
 0.76A 4ccqA-3k70B:
undetectable		 4ccqA-3k70B:
12.55
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.
3ksy SON OF SEVENLESS
HOMOLOG 1

(Homo sapiens) 		PF00125
(Histone)
PF00169
(PH)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF00621
(RhoGEF) 		3 LEU A  38
GLU A 156
SER A  40
 None
 0.83A 4ccqA-3ksyA:
undetectable		 4ccqA-3ksyA:
14.25
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.
3la6 TYROSINE-PROTEIN
KINASE WZC

(Escherichia
coli) 		PF13614
(AAA_31) 		3 LEU A 619
GLU A 618
SER A 622
 None
 0.83A 4ccqA-3la6A:
undetectable		 4ccqA-3la6A:
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.
3la6 TYROSINE-PROTEIN
KINASE WZC

(Escherichia
coli) 		PF13614
(AAA_31) 		3 LEU A 620
GLU A 618
SER A 622
 None
 0.83A 4ccqA-3la6A:
undetectable		 4ccqA-3la6A:
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.
3lg6 PUTATIVE GLUTATHIONE
TRANSFERASE

(Coccidioides
immitis) 		PF13409
(GST_N_2)
PF14497
(GST_C_3) 		3 LEU A 160
GLU A 162
SER A 164
 None
 0.81A 4ccqA-3lg6A:
undetectable		 4ccqA-3lg6A:
21.59
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		3 LEU A 163
GLU A 167
SER A 122
 None
 0.76A 4ccqA-3maxA:
undetectable		 4ccqA-3maxA:
20.73
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.
3oz7 PHOSPHOGLYCERATE
KINASE

(Plasmodium
falciparum) 		PF00162
(PGK) 		3 LEU A 355
GLU A 353
SER A 351
 None
 0.56A 4ccqA-3oz7A:
3.3		 4ccqA-3oz7A:
22.60
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.
3p8c NCK-ASSOCIATED
PROTEIN 1

(Homo sapiens) 		PF09735
(Nckap1) 		3 LEU B 255
GLU B 381
SER B 376
 None
 0.81A 4ccqA-3p8cB:
undetectable		 4ccqA-3p8cB:
13.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q5e ATLASTIN-1

(Homo sapiens) 		PF02263
(GBP) 		3 LEU A 394
GLU A 396
SER A 398
 None
 0.73A 4ccqA-3q5eA:
undetectable		 4ccqA-3q5eA:
22.41
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.
3qml NUCLEOTIDE EXCHANGE
FACTOR SIL1

(Saccharomyces
cerevisiae) 		PF16782
(SIL1) 		3 LEU C 151
GLU C 152
SER C 154
 None
 0.68A 4ccqA-3qmlC:
undetectable		 4ccqA-3qmlC:
22.47
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.
3red HYDROXYNITRILE LYASE

(Prunus mume) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		3 LEU A 515
GLU A 517
SER A 519
 None
 0.71A 4ccqA-3redA:
undetectable		 4ccqA-3redA:
21.39