SIMILAR PATTERNS OF AMINO ACIDS FOR 1Q23_D_FUAD705_1

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.
1agr RGS4

(Rattus
norvegicus) 		PF00615
(RGS) 		5 PHE E 149
SER E 138
LEU E 129
VAL E 127
PHE E  91
 None
 1.49A 1q23D-1agrE:
undetectable
1q23E-1agrE:
undetectable		 1q23D-1agrE:
20.78
1q23E-1agrE:
20.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1cia CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		5 THR A  94
PHE A 135
PHE A 158
LEU A 160
VAL A 162
 None
 0.54A 1q23D-1ciaA:
32.3
1q23E-1ciaA:
32.3		 1q23D-1ciaA:
44.95
1q23E-1ciaA:
44.95
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.
1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE

(Sus scrofa) 		PF01180
(DHO_dh)
PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF14697
(Fer4_21) 		5 PHE A 234
PHE A 387
LEU A 361
VAL A 337
ALA A 351
 None
 1.25A 1q23D-1h7wA:
0.0
1q23E-1h7wA:
0.0		 1q23D-1h7wA:
11.35
1q23E-1h7wA:
11.35
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.
1hcu ALPHA-1,2-MANNOSIDAS
E

(Trichoderma
reesei) 		PF01532
(Glyco_hydro_47) 		5 SER A  96
PHE A 161
LEU A 181
PHE A 148
ALA A 141
 None
 1.44A 1q23D-1hcuA:
undetectable
1q23E-1hcuA:
0.0		 1q23D-1hcuA:
16.07
1q23E-1hcuA:
16.07
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.
1ibj CYSTATHIONINE
BETA-LYASE

(Arabidopsis
thaliana) 		PF01053
(Cys_Met_Meta_PP) 		5 THR A 155
SER A 311
SER A 156
LEU A 187
VAL A 191
 None
None
PLP  A1400 (-3.6A)
None
None
 1.33A 1q23D-1ibjA:
1.4
1q23E-1ibjA:
1.4		 1q23D-1ibjA:
18.45
1q23E-1ibjA:
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.
1iiu PLASMA
RETINOL-BINDING
PROTEIN

(Gallus gallus) 		PF00061
(Lipocalin) 		5 PHE A  77
LEU A  37
VAL A  41
PHE A 135
ALA A  43
 None
RTL  A 176 ( 4.5A)
None
RTL  A 176 ( 4.2A)
RTL  A 176 ( 4.1A)
 1.00A 1q23D-1iiuA:
0.0
1q23E-1iiuA:
undetectable		 1q23D-1iiuA:
21.10
1q23E-1iiuA:
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.
1mus TN5 TRANSPOSASE

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5)
PF14706
(Tnp_DNA_bind) 		5 PHE A  17
SER A  19
LEU A  22
VAL A  69
ALA A  71
 None
 1.28A 1q23D-1musA:
0.8
1q23E-1musA:
0.0		 1q23D-1musA:
16.87
1q23E-1musA:
16.87
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.
1mus TN5 TRANSPOSASE

(Escherichia
coli) 		PF01609
(DDE_Tnp_1)
PF02281
(Dimer_Tnp_Tn5)
PF14706
(Tnp_DNA_bind) 		5 SER A  19
LEU A  22
VAL A  69
PHE A  63
ALA A  71
 None
 1.23A 1q23D-1musA:
0.8
1q23E-1musA:
0.0		 1q23D-1musA:
16.87
1q23E-1musA:
16.87
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.
1ogd HIGH AFFINITY RIBOSE
TRANSPORT PROTEIN
RBSD

(Bacillus
subtilis) 		PF05025
(RbsD_FucU) 		5 THR A 114
LEU A 125
VAL A  67
PHE A  88
ALA A  69
 None
 1.41A 1q23D-1ogdA:
undetectable
1q23E-1ogdA:
undetectable		 1q23D-1ogdA:
20.56
1q23E-1ogdA:
20.56
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.
1ort ORNITHINE
TRANSCARBAMOYLASE

(Pseudomonas
aeruginosa) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 THR A 136
PHE A 126
PHE A  52
LEU A  50
VAL A  74
 None
 1.27A 1q23D-1ortA:
0.0
1q23E-1ortA:
0.0		 1q23D-1ortA:
20.06
1q23E-1ortA:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pd5 CHLORAMPHENICOL
ACETYLTRANSFERASE

(Escherichia
coli) 		PF00302
(CAT) 		10 THR A  93
SER A 104
TYR A 133
PHE A 134
PHE A 144
SER A 146
PHE A 156
LEU A 158
VAL A 160
PHE A 166
 None
 0.47A 1q23D-1pd5A:
35.6
1q23E-1pd5A:
35.9		 1q23D-1pd5A:
100.00
1q23E-1pd5A:
100.00
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.
1poj ISOASPARTYL
DIPEPTIDASE

(Escherichia
coli) 		PF01979
(Amidohydro_1) 		5 THR A 254
SER A 256
SER A 283
VAL A  87
HIS A  70
 None
None
None
None
ZN  A 601 ( 3.6A)
 1.39A 1q23D-1pojA:
undetectable
1q23E-1pojA:
undetectable		 1q23D-1pojA:
18.73
1q23E-1pojA:
18.73
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.
1ptj NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA PART 1

(Rhodospirillum
rubrum) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 THR A 118
PHE A 342
LEU A 343
VAL A 347
PHE A  31
 None
 1.45A 1q23D-1ptjA:
undetectable
1q23E-1ptjA:
undetectable		 1q23D-1ptjA:
20.11
1q23E-1ptjA:
20.11
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.
1s3i 10-FORMYLTETRAHYDROF
OLATE DEHYDROGENASE

(Rattus
norvegicus) 		PF00551
(Formyl_trans_N)
PF02911
(Formyl_trans_C) 		5 PHE A 280
PHE A 244
LEU A 277
VAL A 272
ALA A 260
 None
 1.32A 1q23D-1s3iA:
undetectable
1q23E-1s3iA:
undetectable		 1q23D-1s3iA:
19.75
1q23E-1s3iA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tue REPLICATION PROTEIN
E1

(Alphapapillomavirus
7) 		PF00519
(PPV_E1_C) 		5 THR A 591
PHE A 482
PHE A 463
LEU A 627
PHE A 619
 None
 1.06A 1q23D-1tueA:
undetectable
1q23E-1tueA:
undetectable		 1q23D-1tueA:
22.54
1q23E-1tueA:
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.
1u5v CITE

(Mycobacterium
tuberculosis) 		PF03328
(HpcH_HpaI) 		5 SER A 148
TYR A 155
VAL A 207
ALA A 180
HIS A 182
 None
 1.33A 1q23D-1u5vA:
undetectable
1q23E-1u5vA:
undetectable		 1q23D-1u5vA:
21.18
1q23E-1u5vA:
21.18
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.
1vli SPORE COAT
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
SPSE

(Bacillus
subtilis) 		PF03102
(NeuB)
PF08666
(SAF) 		5 THR A 153
SER A 152
LEU A 232
VAL A  11
PHE A   4
 None
 1.47A 1q23D-1vliA:
undetectable
1q23E-1vliA:
undetectable		 1q23D-1vliA:
20.41
1q23E-1vliA:
20.41
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.
2ag5 DEHYDROGENASE/REDUCT
ASE (SDR FAMILY)
MEMBER 6

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 SER A 184
PHE A 100
LEU A 104
VAL A  59
ALA A  13
 NAD  A2001 (-2.8A)
None
NAD  A2001 (-4.6A)
NAD  A2001 (-3.8A)
NAD  A2001 (-3.2A)
 1.38A 1q23D-2ag5A:
undetectable
1q23E-2ag5A:
undetectable		 1q23D-2ag5A:
22.89
1q23E-2ag5A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2amc PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Thermus
thermophilus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 PHE B 524
PHE B 651
LEU B 670
VAL B 668
ALA B 660
 None
 1.41A 1q23D-2amcB:
3.3
1q23E-2amcB:
3.4		 1q23D-2amcB:
13.12
1q23E-2amcB:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		5 PHE A 182
PHE A 123
LEU A  49
VAL A 106
ALA A 138
 None
 1.50A 1q23D-2avnA:
undetectable
1q23E-2avnA:
undetectable		 1q23D-2avnA:
18.08
1q23E-2avnA:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cu2 PUTATIVE
MANNOSE-1-PHOSPHATE
GUANYLYL TRANSFERASE

(Thermus
thermophilus) 		PF00483
(NTP_transferase) 		5 SER A  20
PHE A  32
LEU A 262
VAL A 290
ALA A 309
 None
 1.43A 1q23D-2cu2A:
undetectable
1q23E-2cu2A:
undetectable		 1q23D-2cu2A:
19.66
1q23E-2cu2A:
19.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		5 SER A 470
TYR A 469
PHE A   5
SER A  29
PHE A  21
 None
 1.43A 1q23D-2f6dA:
undetectable
1q23E-2f6dA:
undetectable		 1q23D-2f6dA:
18.29
1q23E-2f6dA:
18.29
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.
2i0z NAD(FAD)-UTILIZING
DEHYDROGENASES

(Bacillus cereus) 		PF03486
(HI0933_like) 		5 THR A 414
PHE A  70
LEU A 390
VAL A 389
ALA A 162
 None
 1.28A 1q23D-2i0zA:
undetectable
1q23E-2i0zA:
undetectable		 1q23D-2i0zA:
19.86
1q23E-2i0zA:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jan TYROSYL-TRNA
SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00579
(tRNA-synt_1b) 		5 SER A  18
LEU A 190
VAL A  35
PHE A  60
ALA A  37
 None
 1.49A 1q23D-2janA:
undetectable
1q23E-2janA:
undetectable		 1q23D-2janA:
18.72
1q23E-2janA:
18.72
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.
2jww PARVALBUMIN ALPHA

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		5 SER A  71
PHE A  29
LEU A  35
VAL A  43
PHE A 102
 None
 1.48A 1q23D-2jwwA:
undetectable
1q23E-2jwwA:
undetectable		 1q23D-2jwwA:
20.18
1q23E-2jwwA:
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.
2n8q PREDICTED PROTEIN

(Chlamydomonas
reinhardtii) 		PF01722
(BolA) 		5 SER A 103
PHE A  77
LEU A  79
VAL A  81
ALA A  42
 None
 1.18A 1q23D-2n8qA:
undetectable
1q23E-2n8qA:
undetectable		 1q23D-2n8qA:
20.83
1q23E-2n8qA:
20.83
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.
2nql ISOMERASE/LACTONIZIN
G ENZYME

(Agrobacterium
fabrum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A 333
SER A 332
PHE A 153
LEU A 373
VAL A 375
 None
 1.34A 1q23D-2nqlA:
undetectable
1q23E-2nqlA:
undetectable		 1q23D-2nqlA:
18.62
1q23E-2nqlA:
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.
2nym SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
CATALYTIC SUBUNIT
ALPHA ISOFORM

(Homo sapiens) 		PF00149
(Metallophos) 		5 THR C  53
PHE C 286
PHE C 289
VAL C 244
ALA C 240
 None
 1.43A 1q23D-2nymC:
undetectable
1q23E-2nymC:
undetectable		 1q23D-2nymC:
20.78
1q23E-2nymC:
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.
2uye REGULATORY PROTEIN

(Burkholderia
cepacia) 		PF03466
(LysR_substrate) 		5 PHE A  90
PHE A  99
PHE A 298
LEU A 115
ALA A 123
 None
 1.35A 1q23D-2uyeA:
undetectable
1q23E-2uyeA:
undetectable		 1q23D-2uyeA:
21.43
1q23E-2uyeA:
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.
2vp1 PERIPLASMIC
IRON-BINDING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		5 TYR A 293
PHE A 294
PHE A  84
LEU A  59
VAL A  57
 None
 1.16A 1q23D-2vp1A:
undetectable
1q23E-2vp1A:
undetectable		 1q23D-2vp1A:
18.08
1q23E-2vp1A:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wiu HTH-TYPE
TRANSCRIPTIONAL
REGULATOR HIPB

(Escherichia
coli) 		PF01381
(HTH_3) 		5 THR B  52
PHE B  57
LEU B  64
VAL B  20
ALA B  16
 None
 1.46A 1q23D-2wiuB:
undetectable
1q23E-2wiuB:
undetectable		 1q23D-2wiuB:
19.07
1q23E-2wiuB:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ywg GTP-BINDING PROTEIN
LEPA

(Aquifex
aeolicus) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF06421
(LepA_C) 		5 THR A  30
PHE A  64
PHE A   9
VAL A 257
ALA A 241
 None
 1.40A 1q23D-2ywgA:
undetectable
1q23E-2ywgA:
undetectable		 1q23D-2ywgA:
16.36
1q23E-2ywgA:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3i PENICILLIN-BINDING
PROTEIN 4

(Haemophilus
influenzae) 		PF02113
(Peptidase_S13) 		5 PHE A 393
SER A 375
PHE A 351
LEU A 344
ALA A  76
 None
 1.35A 1q23D-3a3iA:
undetectable
1q23E-3a3iA:
undetectable		 1q23D-3a3iA:
17.54
1q23E-3a3iA:
17.54
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.
3ch7 6-PHOSPHOGLUCONOLACT
ONASE

(Leishmania
braziliensis) 		PF01182
(Glucosamine_iso) 		5 THR A 169
PHE A   4
LEU A 232
VAL A 265
ALA A 261
 None
 1.49A 1q23D-3ch7A:
undetectable
1q23E-3ch7A:
undetectable		 1q23D-3ch7A:
22.22
1q23E-3ch7A:
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.
3cmv PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 THR A3042
SER A3041
SER A3044
LEU A3277
VAL A3323
 None
 1.37A 1q23D-3cmvA:
undetectable
1q23E-3cmvA:
undetectable		 1q23D-3cmvA:
9.89
1q23E-3cmvA:
9.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e1s EXODEOXYRIBONUCLEASE
V, SUBUNIT RECD

(Deinococcus
radiodurans) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30)
PF14490
(HHH_4) 		5 SER A 686
PHE A 684
SER A 689
LEU A 668
HIS A 664
 None
 1.22A 1q23D-3e1sA:
undetectable
1q23E-3e1sA:
undetectable		 1q23D-3e1sA:
16.33
1q23E-3e1sA:
16.33
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE

(Bordetella
bronchiseptica) 		PF07969
(Amidohydro_3) 		5 THR A 216
SER A 185
SER A 247
ALA A 111
HIS A  68
 None
None
None
None
ACY  A 481 (-4.8A)
 1.43A 1q23D-3gipA:
undetectable
1q23E-3gipA:
undetectable		 1q23D-3gipA:
19.18
1q23E-3gipA:
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.
3h7n NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		PF11715
(Nup160) 		5 THR A 249
PHE A 173
PHE A 199
SER A 250
VAL A 236
 None
 1.47A 1q23D-3h7nA:
undetectable
1q23E-3h7nA:
undetectable		 1q23D-3h7nA:
13.81
1q23E-3h7nA:
13.81
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.
3hoa THERMOSTABLE
CARBOXYPEPTIDASE 1

(Thermus
thermophilus) 		PF02074
(Peptidase_M32) 		5 THR A 311
SER A 307
LEU A 483
ALA A 469
HIS A 472
 None
 1.34A 1q23D-3hoaA:
0.9
1q23E-3hoaA:
undetectable		 1q23D-3hoaA:
17.13
1q23E-3hoaA:
17.13
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 SER B 470
LEU B 447
VAL B 463
PHE B 504
ALA B 465
 None
 1.20A 1q23D-3igzB:
undetectable
1q23E-3igzB:
undetectable		 1q23D-3igzB:
15.44
1q23E-3igzB:
15.44
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.
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) 		5 THR A1112
PHE A1212
PHE A1097
LEU A 985
VAL A 988
 None
 1.42A 1q23D-3jb9A:
undetectable
1q23E-3jb9A:
undetectable		 1q23D-3jb9A:
6.47
1q23E-3jb9A:
6.47
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.
3lao ENOYL-COA
HYDRATASE/ISOMERASE

(Pseudomonas
aeruginosa) 		PF00378
(ECH_1) 		5 TYR A  86
PHE A  84
PHE A  66
LEU A  24
VAL A  11
 None
 1.47A 1q23D-3laoA:
undetectable
1q23E-3laoA:
undetectable		 1q23D-3laoA:
21.19
1q23E-3laoA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 SER A 620
LEU A 611
VAL A 640
PHE A 593
ALA A 644
 None
 1.33A 1q23D-3nzuA:
undetectable
1q23E-3nzuA:
undetectable		 1q23D-3nzuA:
12.56
1q23E-3nzuA:
12.56
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.
3ojb GALECTIN-8

(Homo sapiens) 		PF00337
(Gal-bind_lectin) 		5 SER A 111
PHE A  63
LEU A  58
VAL A  31
PHE A  38
 None
 1.50A 1q23D-3ojbA:
undetectable
1q23E-3ojbA:
undetectable		 1q23D-3ojbA:
19.20
1q23E-3ojbA:
19.20
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.
3pj0 LMO0305 PROTEIN

(Listeria
monocytogenes) 		PF01212
(Beta_elim_lyase) 		5 THR A 313
PHE A 273
LEU A 269
VAL A 335
ALA A 338
 None
 1.21A 1q23D-3pj0A:
2.1
1q23E-3pj0A:
2.2		 1q23D-3pj0A:
21.88
1q23E-3pj0A:
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.
3r4v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
phage 201phi2-1) 		PF00091
(Tubulin) 		5 SER A 228
TYR A 247
LEU A 178
VAL A 179
PHE A  83
 None
 1.19A 1q23D-3r4vA:
undetectable
1q23E-3r4vA:
undetectable		 1q23D-3r4vA:
18.99
1q23E-3r4vA:
18.99
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		5 SER A 343
PHE A 330
LEU A 314
ALA A 295
HIS A 297
 None
 1.49A 1q23D-3silA:
undetectable
1q23E-3silA:
undetectable		 1q23D-3silA:
17.94
1q23E-3silA:
17.94
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.
3thz DNA MISMATCH REPAIR
PROTEIN MSH2

(Homo sapiens) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 PHE A  85
SER A  87
LEU A  92
VAL A  34
ALA A  45
 None
 1.49A 1q23D-3thzA:
undetectable
1q23E-3thzA:
undetectable		 1q23D-3thzA:
12.71
1q23E-3thzA:
12.71
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.
3u4j NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00171
(Aldedh) 		5 THR A 339
TYR A 381
PHE A   5
ALA A 378
HIS A  45
 None
 1.34A 1q23D-3u4jA:
undetectable
1q23E-3u4jA:
undetectable		 1q23D-3u4jA:
14.96
1q23E-3u4jA:
14.96
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		5 THR A  50
PHE A 299
LEU A 290
VAL A  19
ALA A  40
 None
 1.28A 1q23D-3ut3A:
undetectable
1q23E-3ut3A:
undetectable		 1q23D-3ut3A:
19.74
1q23E-3ut3A:
19.74
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.
4ab5 TRANSCRIPTIONAL
REGULATOR, LYSR
FAMILY

(Neisseria
meningitidis) 		PF03466
(LysR_substrate) 		5 SER A 130
PHE A 107
LEU A 110
PHE A 288
ALA A 273
 None
 1.50A 1q23D-4ab5A:
undetectable
1q23E-4ab5A:
undetectable		 1q23D-4ab5A:
20.50
1q23E-4ab5A:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3k BETA-GLUCOSIDASE

(Streptococcus
pyogenes) 		PF00232
(Glyco_hydro_1) 		5 PHE A 252
SER A 173
VAL A 138
ALA A 199
HIS A 118
 None
 1.39A 1q23D-4b3kA:
undetectable
1q23E-4b3kA:
undetectable		 1q23D-4b3kA:
16.80
1q23E-4b3kA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4czb NA(+)/H(+)
ANTIPORTER 1

(Methanocaldococcus
jannaschii) 		PF00999
(Na_H_Exchanger) 		5 THR A 168
SER A 169
LEU A  70
VAL A 251
ALA A 194
 None
 1.41A 1q23D-4czbA:
undetectable
1q23E-4czbA:
undetectable		 1q23D-4czbA:
18.31
1q23E-4czbA:
18.31
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.
4fzh HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		5 SER A 237
SER A 252
VAL A 369
PHE A 364
ALA A 400
 None
 1.47A 1q23D-4fzhA:
undetectable
1q23E-4fzhA:
undetectable		 1q23D-4fzhA:
16.29
1q23E-4fzhA:
16.29
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.
4hh1 APPA PROTEIN

(Rhodobacter
sphaeroides) 		PF04940
(BLUF) 		5 THR A 324
SER A 322
LEU A 350
VAL A 312
ALA A 314
 None
 1.32A 1q23D-4hh1A:
1.4
1q23E-4hh1A:
undetectable		 1q23D-4hh1A:
17.91
1q23E-4hh1A:
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.
4i5j SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'' SUBUNIT ALPHA

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 PHE A 397
PHE A 434
PHE A 360
LEU A 421
VAL A 408
 None
 1.37A 1q23D-4i5jA:
undetectable
1q23E-4i5jA:
undetectable		 1q23D-4i5jA:
20.21
1q23E-4i5jA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i5n SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'' SUBUNIT BETA -
CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG CHIMERIC
CONSTRUCT

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 PHE B 434
PHE B 471
PHE B 397
LEU B 458
VAL B 445
 None
 1.46A 1q23D-4i5nB:
undetectable
1q23E-4i5nB:
undetectable		 1q23D-4i5nB:
18.38
1q23E-4i5nB:
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 195
SER A 198
PHE A 202
VAL A 160
ALA A 162
 None
 1.27A 1q23D-4ls5A:
undetectable
1q23E-4ls5A:
undetectable		 1q23D-4ls5A:
17.29
1q23E-4ls5A:
17.29
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.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		5 PHE A  32
SER A  55
LEU A  37
VAL A  88
ALA A  97
 None
 1.22A 1q23D-4maaA:
undetectable
1q23E-4maaA:
undetectable		 1q23D-4maaA:
17.49
1q23E-4maaA:
17.49
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.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		5 PHE A  32
SER A 315
LEU A  37
VAL A  88
ALA A  97
 None
 1.44A 1q23D-4maaA:
undetectable
1q23E-4maaA:
undetectable		 1q23D-4maaA:
17.49
1q23E-4maaA:
17.49
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.
4mew SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'' SUBUNIT BETA

(Homo sapiens) 		PF13499
(EF-hand_7) 		5 PHE A 434
PHE A 471
PHE A 397
LEU A 458
VAL A 445
 None
 1.45A 1q23D-4mewA:
undetectable
1q23E-4mewA:
undetectable		 1q23D-4mewA:
20.11
1q23E-4mewA:
20.11
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.
4ojx 3',5'-CYCLIC-NUCLEOT
IDE
PHOSPHODIESTERASE 1

(Saccharomyces
cerevisiae) 		PF02112
(PDEase_II) 		5 THR A 127
SER A 225
PHE A 227
VAL A 324
HIS A 326
 None
None
None
None
ZN  A 404 ( 3.3A)
 1.47A 1q23D-4ojxA:
undetectable
1q23E-4ojxA:
undetectable		 1q23D-4ojxA:
18.90
1q23E-4ojxA:
18.90
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 PHE A 211
LEU A 391
VAL A 435
PHE A 519
HIS A 389
 HEM  A 602 (-4.6A)
None
None
None
HEM  A 602 (-3.3A)
 1.46A 1q23D-4ph9A:
undetectable
1q23E-4ph9A:
undetectable		 1q23D-4ph9A:
16.57
1q23E-4ph9A:
16.57
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.
4pwv P450 MONOOXYGENASE

(Streptomyces
sp. Acta 2897) 		PF00067
(p450) 		5 THR A 378
PHE A 145
VAL A 287
PHE A 338
ALA A 283
 None
 1.40A 1q23D-4pwvA:
undetectable
1q23E-4pwvA:
undetectable		 1q23D-4pwvA:
16.52
1q23E-4pwvA:
16.52
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.
4qla JUVENILE HORMONE
EPOXIDE HYDROLASE

(Bombyx mori) 		PF06441
(EHN) 		5 SER A 365
TYR A 360
SER A 192
PHE A 209
HIS A 152
 None
 1.26A 1q23D-4qlaA:
undetectable
1q23E-4qlaA:
undetectable		 1q23D-4qlaA:
19.36
1q23E-4qlaA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r81 NADH DEHYDROGENASE

(Methanothermobacter
marburgensis) 		PF02525
(Flavodoxin_2) 		5 PHE A  23
PHE A 101
LEU A 158
VAL A 163
ALA A  81
 None
 1.30A 1q23D-4r81A:
undetectable
1q23E-4r81A:
undetectable		 1q23D-4r81A:
22.04
1q23E-4r81A:
22.04
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.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 SER A 638
TYR A 660
PHE A 794
VAL A 895
PHE A 870
 None
 1.46A 1q23D-4u7tA:
undetectable
1q23E-4u7tA:
undetectable		 1q23D-4u7tA:
17.52
1q23E-4u7tA:
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.
4w7s PRE-MRNA-SPLICING
ATP-DEPENDENT RNA
HELICASE PRP28

(Saccharomyces
cerevisiae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 SER A 507
PHE A 540
LEU A 428
PHE A 456
ALA A 433
 None
 1.48A 1q23D-4w7sA:
undetectable
1q23E-4w7sA:
undetectable		 1q23D-4w7sA:
17.32
1q23E-4w7sA:
17.32
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.
4yfa PROTEIN RELATED TO
PENICILLIN ACYLASE

(Acidovorax sp.
MR-S7) 		PF01804
(Penicil_amidase) 		5 THR C  72
SER C  71
PHE C 297
SER C 280
LEU C 290
 None
 1.31A 1q23D-4yfaC:
undetectable
1q23E-4yfaC:
undetectable		 1q23D-4yfaC:
17.97
1q23E-4yfaC:
17.97
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.
4yfl 1B2530 HEAVY CHAIN
1B2530 LIGHT CHAIN

(Homo sapiens) 		no annotation 5 SER L 175
TYR L 177
PHE H 178
SER L 165
VAL H 164
 None
 1.44A 1q23D-4yflL:
undetectable
1q23E-4yflL:
undetectable		 1q23D-4yflL:
21.81
1q23E-4yflL:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z48 UNCHARACTERIZED
PROTEIN

(Desulfovibrio
piger) 		PF17131
(LolA_like) 		5 THR A  72
SER A  53
PHE A 137
LEU A 142
VAL A 235
 None
 1.36A 1q23D-4z48A:
undetectable
1q23E-4z48A:
undetectable		 1q23D-4z48A:
20.97
1q23E-4z48A:
20.97
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.
5bwy PLASMEPSIN-2

(Plasmodium
falciparum) 		PF00026
(Asp) 		5 THR A 247
LEU A 227
VAL A 222
PHE A 257
ALA A 219
 None
 1.46A 1q23D-5bwyA:
undetectable
1q23E-5bwyA:
undetectable		 1q23D-5bwyA:
21.98
1q23E-5bwyA:
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.
5d6n ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 PHE A 286
LEU A 267
VAL A 307
PHE A 334
ALA A 309
 None
 1.20A 1q23D-5d6nA:
undetectable
1q23E-5d6nA:
undetectable		 1q23D-5d6nA:
15.98
1q23E-5d6nA:
15.98
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.
5dds CRMG

(Actinoalloteichus
sp. WH1-2216-6) 		PF00202
(Aminotran_3) 		5 SER A 507
PHE A 466
LEU A 467
VAL A 475
PHE A 487
 None
 1.46A 1q23D-5ddsA:
undetectable
1q23E-5ddsA:
undetectable		 1q23D-5ddsA:
16.99
1q23E-5ddsA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey8 ACYL-COA SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00501
(AMP-binding) 		5 PHE A 286
LEU A 267
VAL A 307
PHE A 334
ALA A 309
 None
 1.29A 1q23D-5ey8A:
undetectable
1q23E-5ey8A:
undetectable		 1q23D-5ey8A:
13.88
1q23E-5ey8A:
13.88
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 THR A 401
TYR A 655
PHE A 503
LEU A 501
VAL A 499
 None
 1.48A 1q23D-5fjjA:
undetectable
1q23E-5fjjA:
undetectable		 1q23D-5fjjA:
14.07
1q23E-5fjjA:
14.07
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.
5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA

(Homo sapiens;
synthetic
construct) 		no annotation 5 PHE B1059
PHE B1088
LEU B1031
VAL B 991
PHE B 984
 None
 1.47A 1q23D-5jcpB:
undetectable
1q23E-5jcpB:
undetectable		 1q23D-5jcpB:
18.60
1q23E-5jcpB:
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.
5jtv UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF00443
(UCH)
PF14533
(USP7_C2) 		5 PHE A 283
PHE A 324
LEU A 238
VAL A 242
PHE A 264
 None
 1.26A 1q23D-5jtvA:
undetectable
1q23E-5jtvA:
undetectable		 1q23D-5jtvA:
16.90
1q23E-5jtvA:
16.90
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.
5olt -

(-) 		no annotation 5 THR A 222
SER A 289
LEU A 285
VAL A 440
PHE A 271
 None
 1.30A 1q23D-5oltA:
undetectable
1q23E-5oltA:
undetectable		 1q23D-5oltA:
undetectable
1q23E-5oltA:
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 5 TYR B 519
PHE B 458
LEU B 422
VAL B 418
ALA B 492
 None
 1.42A 1q23D-5swiB:
undetectable
1q23E-5swiB:
undetectable		 1q23D-5swiB:
15.20
1q23E-5swiB:
15.20
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.
5vjw RHIZOBIALES-LIKE
PHOSPHATASE 2

(Arabidopsis
thaliana) 		no annotation 5 SER A 152
PHE A 160
SER A 158
ALA A  84
HIS A  81
 None
None
None
None
WO4  A 403 (-4.0A)
 1.20A 1q23D-5vjwA:
undetectable
1q23E-5vjwA:
undetectable		 1q23D-5vjwA:
13.90
1q23E-5vjwA:
13.90
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.
5w19 TRYPTOPHANASE

(Proteus
vulgaris) 		no annotation 5 THR A 261
SER A 224
TYR A 254
VAL A 209
PHE A 167
 None
 1.47A 1q23D-5w19A:
undetectable
1q23E-5w19A:
undetectable		 1q23D-5w19A:
18.78
1q23E-5w19A:
18.78
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.
5wb1 ENVELOPE PROTEIN
US28, NANOBODY 7
FUSION PROTEIN

(Human
betaherpesvirus
5;
Lama glama) 		no annotation 5 PHE A 197
PHE A 116
LEU A 119
PHE A 237
ALA A 280
 None
 1.22A 1q23D-5wb1A:
undetectable
1q23E-5wb1A:
undetectable		 1q23D-5wb1A:
17.59
1q23E-5wb1A:
17.59
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.
5xkl ESX-3
SECRETION-ASSOCIATED
PROTEIN ESPG3

(Mycobacterium
tuberculosis) 		no annotation 5 SER A 231
PHE A 163
LEU A 165
VAL A 169
ALA A 171
 None
 1.42A 1q23D-5xklA:
undetectable
1q23E-5xklA:
undetectable		 1q23D-5xklA:
18.52
1q23E-5xklA:
18.52
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.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 5 PHE A  77
SER A 393
PHE A 472
PHE A 455
HIS A  92
 9RN  A 504 ( 3.6A)
None
None
None
CL  A 510 ( 4.7A)
 1.26A 1q23D-6b0kA:
undetectable
1q23E-6b0kA:
undetectable		 1q23D-6b0kA:
15.85
1q23E-6b0kA:
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.
6brr DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		no annotation 5 SER A 638
TYR A 660
PHE A 794
VAL A 895
PHE A 870
 None
 1.45A 1q23D-6brrA:
undetectable
1q23E-6brrA:
undetectable		 1q23D-6brrA:
16.97
1q23E-6brrA:
16.97
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.
6c0w CENTROMERE PROTEIN N

(Homo sapiens) 		no annotation 5 THR K 163
SER K 164
LEU K 112
VAL K 119
ALA K 136
 THR  K 163 ( 0.8A)
SER  K 164 ( 0.0A)
LEU  K 112 ( 0.6A)
VAL  K 119 ( 0.6A)
ALA  K 136 ( 0.0A)
 1.48A 1q23D-6c0wK:
2.7
1q23E-6c0wK:
undetectable		 1q23D-6c0wK:
15.28
1q23E-6c0wK:
15.28
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.
6c90 EXOSOME RNA HELICASE
MTR4,EXOSOME RNA
HELICASE MTR4

(Homo sapiens) 		no annotation 5 TYR A 136
PHE A 138
PHE A 187
LEU A 282
VAL A 159
 None
ADP  A1101 (-3.9A)
None
None
None
 1.48A 1q23D-6c90A:
undetectable
1q23E-6c90A:
undetectable		 1q23D-6c90A:
15.53
1q23E-6c90A:
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.
6ewj PUTATIVE CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 PHE A 162
PHE A 190
SER A 169
PHE A 193
PHE A 226
 None
 1.41A 1q23D-6ewjA:
undetectable
1q23E-6ewjA:
1.7		 1q23D-6ewjA:
16.06
1q23E-6ewjA:
16.06