SIMILAR PATTERNS OF AMINO ACIDS FOR 3KP2_B_PNNB5002_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.
1aei ANNEXIN XII

(Hydra vulgaris) 		PF00191
(Annexin) 		4 ASN A 193
ALA A 197
ALA A 194
ARG A 199
 None
 1.36A 3kp2B-1aeiA:
0.2		 3kp2B-1aeiA:
22.51
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.
1fml RETINOL DEHYDRATASE

(Spodoptera
frugiperda) 		PF00685
(Sulfotransfer_1) 		4 ASN A  91
ALA A  94
ALA A  95
ARG A 102
 None
 1.09A 3kp2B-1fmlA:
undetectable		 3kp2B-1fmlA:
17.46
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.
1h7l SPORE COAT
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
SPSA

(Bacillus
subtilis) 		PF00535
(Glycos_transf_2) 		4 ASN A  82
ALA A  78
ALA A  79
ARG A  76
 None
 1.31A 3kp2B-1h7lA:
undetectable		 3kp2B-1h7lA:
20.95
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.
1iz1 LYSR-TYPE REGULATORY
PROTEIN

(Cupriavidus
necator) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		4 ASN A  17
ALA A  20
ALA A  15
ARG A  24
 None
 1.48A 3kp2B-1iz1A:
6.1		 3kp2B-1iz1A:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j5s URONATE ISOMERASE

(Thermotoga
maritima) 		PF02614
(UxaC) 		4 ASN A  11
ALA A  14
ALA A  13
ARG A  16
 None
 1.15A 3kp2B-1j5sA:
0.0		 3kp2B-1j5sA:
15.80
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.
1kcl CYCLODEXTRIN
GLYCOSYLTRANSFERASE

(Bacillus
circulans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 ASN A 336
ALA A 337
ALA A 334
ARG A 294
 None
None
None
GLC  A1700 (-4.0A)
 1.34A 3kp2B-1kclA:
undetectable		 3kp2B-1kclA:
12.21
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.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		4 ASN A  74
ALA A  68
ALA A  73
LYS A 496
 None
None
None
SF3  A1555 ( 4.5A)
 1.15A 3kp2B-1oa1A:
0.0		 3kp2B-1oa1A:
13.97
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.
1qz8 POLYPROTEIN 1AB

(Severe acute
respiratory
syndrome-related
coronavirus) 		PF08710
(nsp9) 		4 ASN A  27
ALA A  16
ALA A  15
ARG A  55
 None
 1.34A 3kp2B-1qz8A:
undetectable		 3kp2B-1qz8A:
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.
1skn DNA-BINDING DOMAIN
OF SKN-1

(Caenorhabditis
elegans) 		PF03131
(bZIP_Maf) 		4 ASN P 511
ALA P 514
ALA P 515
ARG P 519
 None
 1.47A 3kp2B-1sknP:
undetectable		 3kp2B-1sknP:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to0 HYPOTHETICAL UPF0247
PROTEIN YYDA

(Bacillus
subtilis) 		PF02590
(SPOUT_MTase) 		4 ASN A 152
ALA A 148
ALA A  89
LYS A  83
 None
 1.43A 3kp2B-1to0A:
undetectable		 3kp2B-1to0A:
25.14
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.
1u69 HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF06983
(3-dmu-9_3-mt) 		4 ASN A  65
ALA A  15
ALA A  14
LYS A 111
 None
 1.41A 3kp2B-1u69A:
undetectable		 3kp2B-1u69A:
19.88
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.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		4 ASN A  78
ALA A  72
ALA A  77
LYS A 489
 None
None
None
FSO  A1546 (-2.9A)
 1.18A 3kp2B-1upxA:
0.0		 3kp2B-1upxA:
14.90
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.
1w25 STALKED-CELL
DIFFERENTIATION
CONTROLLING PROTEIN

(Caulobacter
vibrioides) 		PF00072
(Response_reg)
PF00990
(GGDEF) 		4 ASN A 202
ALA A 204
ALA A 203
ARG A 239
 None
 1.46A 3kp2B-1w25A:
undetectable		 3kp2B-1w25A:
15.67
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.
1xr0 FGFR SIGNALLING
ADAPTOR SNT-1

(Homo sapiens) 		PF02174
(IRS) 		4 ASN B  70
ALA B  94
ALA B  92
ARG B  93
 None
 1.40A 3kp2B-1xr0B:
undetectable		 3kp2B-1xr0B:
23.81
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		4 ASN A 403
ALA A 400
ALA A 402
ARG A 489
 None
 1.41A 3kp2B-1yt8A:
undetectable		 3kp2B-1yt8A:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gz3 ASPARTATE
BETA-SEMIALDEHYDE
DEHYDROGENASE

(Streptococcus
pneumoniae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 ASN A 112
ALA A 115
ALA A 113
ARG A 344
 None
 1.41A 3kp2B-2gz3A:
undetectable		 3kp2B-2gz3A:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hk0 D-PSICOSE
3-EPIMERASE

(Agrobacterium
tumefaciens) 		PF01261
(AP_endonuc_2) 		4 ASN A 177
ALA A 140
ALA A 137
LYS A  86
 ASN  A 177 ( 0.6A)
ALA  A 140 ( 0.0A)
ALA  A 137 ( 0.0A)
LYS  A  86 ( 0.0A)
 1.41A 3kp2B-2hk0A:
undetectable		 3kp2B-2hk0A:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l02 UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF10771
(DUF2582) 		4 ASN A   9
ALA A  42
ALA A  10
LYS A  51
 None
 1.31A 3kp2B-2l02A:
5.4		 3kp2B-2l02A:
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.
2l7a TALIN-1

(Mus musculus) 		PF01608
(I_LWEQ) 		4 ASN A 902
ALA A 905
ALA A 903
LYS A 855
 None
 1.45A 3kp2B-2l7aA:
undetectable		 3kp2B-2l7aA:
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.
2qx2 SEX PHEROMONE
STAPH-CAM373

(Staphylococcus
aureus) 		PF07537
(CamS) 		4 ASN A 300
ALA A 293
ALA A 292
LYS A 283
 None
 1.37A 3kp2B-2qx2A:
0.5		 3kp2B-2qx2A:
18.98
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.
2qyg RIBULOSE
BISPHOSPHATE
CARBOXYLASE-LIKE
PROTEIN 2

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ASN A 256
ALA A 216
ALA A 215
ARG A 214
 None
 1.05A 3kp2B-2qygA:
undetectable		 3kp2B-2qygA:
14.71
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.
2x0q ALCALIGIN
BIOSYNTHESIS PROTEIN

(Bordetella
bronchiseptica) 		PF04183
(IucA_IucC)
PF06276
(FhuF) 		4 ASN A 596
ALA A 599
ALA A 559
ARG A 602
 None
 1.41A 3kp2B-2x0qA:
undetectable		 3kp2B-2x0qA:
13.18
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.
2yys PROLINE
IMINOPEPTIDASE-RELAT
ED PROTEIN

(Thermus
thermophilus) 		PF12697
(Abhydrolase_6) 		4 ASN A 153
ALA A 139
ALA A 136
ARG A 137
 None
 1.43A 3kp2B-2yysA:
undetectable		 3kp2B-2yysA:
19.05
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		4 ASN A 120
ALA A  32
ALA A 220
ARG A 236
 None
 1.47A 3kp2B-2z0jA:
undetectable		 3kp2B-2z0jA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		4 ASN A 120
ALA A 124
ALA A 123
ARG A 126
 None
 0.91A 3kp2B-2z0jA:
undetectable		 3kp2B-2z0jA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c8z CYSTEINYL-TRNA
SYNTHETASE

(Mycolicibacterium
smegmatis) 		PF01406
(tRNA-synt_1e) 		4 ASN A 337
ALA A 312
ALA A 336
ARG A 339
 None
 1.40A 3kp2B-3c8zA:
undetectable		 3kp2B-3c8zA:
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.
3cqf THIOL-ACTIVATED
CYTOLYSIN

(Bacillus
anthracis) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		4 ASN A 225
ALA A 228
ALA A 226
LYS A 299
 None
 1.11A 3kp2B-3cqfA:
undetectable		 3kp2B-3cqfA:
15.51
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.
3djl PROTEIN AIDB

(Escherichia
coli) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		4 ASN A 250
ALA A 276
ALA A 251
ARG A 253
 None
 1.37A 3kp2B-3djlA:
undetectable		 3kp2B-3djlA:
14.84
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.
3en0 CYANOPHYCINASE

(Synechocystis
sp. PCC 6803) 		PF03575
(Peptidase_S51) 		4 ASN A 240
ALA A 155
ALA A 239
ARG A 154
 None
 1.29A 3kp2B-3en0A:
undetectable		 3kp2B-3en0A:
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.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 4 ASN K 670
ALA K 698
ALA K 699
ARG K 703
 None
 1.22A 3kp2B-3jblK:
undetectable		 3kp2B-3jblK:
10.19
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.
3lof HEAT SHOCK 70 KDA
PROTEIN 1

(Homo sapiens) 		PF00012
(HSP70) 		4 ASN A 530
ALA A 532
ALA A 533
LYS A 539
 None
 1.41A 3kp2B-3lofA:
undetectable		 3kp2B-3lofA:
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.
3moz MYO-INOSITOL
HEXAPHOSPHATE
PHOSPHOHYDROLASE

(Selenomonas
ruminantium) 		PF14566
(PTPlike_phytase) 		4 ASN A 231
ALA A 221
ALA A 220
ARG A 218
 None
 1.49A 3kp2B-3mozA:
undetectable		 3kp2B-3mozA:
18.81
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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 310
ALA A 320
ALA A 317
ARG A 321
 None
 1.33A 3kp2B-3mqtA:
undetectable		 3kp2B-3mqtA:
17.88
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.
3ngx BIFUNCTIONAL PROTEIN
FOLD

(Thermoplasma
acidophilum) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 ASN A  38
ALA A  40
ALA A  41
LYS A  48
 None
 0.73A 3kp2B-3ngxA:
undetectable		 3kp2B-3ngxA:
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.
3rcp PLECKSTRIN HOMOLOGY
DOMAIN-CONTAINING
FAMILY A MEMBER 3

(Homo sapiens) 		PF00169
(PH) 		4 ASN A  77
ALA A  79
ALA A  78
ARG A  81
 None
 1.26A 3kp2B-3rcpA:
undetectable		 3kp2B-3rcpA:
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.
3rmu METHYLMALONYL-COA
EPIMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF13669
(Glyoxalase_4) 		4 ASN A 129
ALA A 132
ALA A 133
LYS A 140
 None
None
EDO  A 177 ( 3.9A)
EDO  A   2 ( 4.1A)
 1.03A 3kp2B-3rmuA:
undetectable		 3kp2B-3rmuA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3swt TAURINE CATABOLISM
DIOXYGENASE, TAUD

(Mycobacterium
marinum) 		PF02668
(TauD) 		4 ASN A 129
ALA A 131
ALA A 133
LYS A 142
 None
 1.40A 3kp2B-3swtA:
0.9		 3kp2B-3swtA:
17.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tnf LIDA

(Legionella
pneumophila) 		no annotation 4 ASN B 368
ALA B 370
ALA B 371
LYS B 377
 None
 1.29A 3kp2B-3tnfB:
1.0		 3kp2B-3tnfB:
19.16
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		4 ASN A 112
ALA A 114
ALA A 113
LYS A 194
 None
TRS  A 401 ( 3.7A)
None
None
 1.34A 3kp2B-3vupA:
undetectable		 3kp2B-3vupA:
18.13
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.
4bhy ALANINE RACEMASE

(Aeromonas
hydrophila) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 ASN A   9
ALA A  12
ALA A  11
ARG A  14
 None
 1.11A 3kp2B-4bhyA:
undetectable		 3kp2B-4bhyA:
16.49
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.
4cvy DIOXYGENASE
RV3406/MT3514

(Mycobacterium
tuberculosis) 		PF02668
(TauD) 		4 ASN A 128
ALA A 130
ALA A 131
LYS A 141
 None
 1.21A 3kp2B-4cvyA:
undetectable		 3kp2B-4cvyA:
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.
4cvy DIOXYGENASE
RV3406/MT3514

(Mycobacterium
tuberculosis) 		PF02668
(TauD) 		4 ASN A 128
ALA A 130
ALA A 132
LYS A 141
 None
 1.23A 3kp2B-4cvyA:
undetectable		 3kp2B-4cvyA:
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.
4cw4 BETA-KETOACYL
SYNTHASE

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ASN A  14
ALA A  16
ALA A  15
ARG A  87
 None
 1.43A 3kp2B-4cw4A:
1.6		 3kp2B-4cw4A:
13.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cyj PAB-DEPENDENT
POLY(A)-SPECIFIC
RIBONUCLEASE SUBUNIT
PAN3-LIKE PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 ASN A 456
ALA A 459
ALA A 460
LYS A 467
 None
 1.00A 3kp2B-4cyjA:
1.4		 3kp2B-4cyjA:
19.33
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.
4dny METALLOPROTEASE STCE

(Escherichia
coli) 		no annotation 4 ASN A 186
ALA A 212
ALA A 185
ARG A 188
 None
 1.33A 3kp2B-4dnyA:
undetectable		 3kp2B-4dnyA:
22.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4eju TRANSCRIPTIONAL
REGULATOR TCAR

(Staphylococcus
epidermidis) 		PF12802
(MarR_2) 		4 ASN A  64
ALA A  66
ALA A  67
ARG A  70
 None
 0.99A 3kp2B-4ejuA:
18.6		 3kp2B-4ejuA:
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.
4fus RTX TOXINS AND
RELATED CA2+-BINDING
PROTEIN

(Hahella
chejuensis) 		PF02011
(Glyco_hydro_48) 		4 ASN A  38
ALA A 663
ALA A 660
LYS A 538
 None
None
None
EDO  A 822 (-3.1A)
 1.39A 3kp2B-4fusA:
0.2		 3kp2B-4fusA:
12.03
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.
4jkl BETA-GLUCURONIDASE

(Streptococcus
agalactiae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 ASN A 306
ALA A 308
ALA A 309
ARG A 572
 MG  A 602 ( 4.1A)
None
None
None
 1.38A 3kp2B-4jklA:
undetectable		 3kp2B-4jklA:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7f FIBRINOGEN C
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		4 ASN A 400
ALA A 402
ALA A 403
ARG A 406
 None
 0.76A 3kp2B-4m7fA:
undetectable		 3kp2B-4m7fA:
21.21
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.
4n6f PUTATIVE THIOSUGAR
SYNTHASE

(Amycolatopsis
orientalis) 		PF05690
(ThiG) 		4 ASN A 176
ALA A 179
ALA A 178
ARG A 181
 None
 1.21A 3kp2B-4n6fA:
undetectable		 3kp2B-4n6fA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nl4 PRIMOSOME ASSEMBLY
PROTEIN PRIA

(Klebsiella
pneumoniae) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		4 ASN H 160
ALA H 162
ALA H 163
LYS H 170
 None
 1.03A 3kp2B-4nl4H:
3.7		 3kp2B-4nl4H:
10.94
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.
4nl5 HEME-DEGRADING
MONOOXYGENASE HMOB

(Mycobacterium
tuberculosis) 		PF03992
(ABM) 		4 ASN A   7
ALA A  87
ALA A   8
ARG A  50
 HEM  A 201 ( 3.7A)
HEM  A 201 ( 4.1A)
None
None
 1.37A 3kp2B-4nl5A:
undetectable		 3kp2B-4nl5A:
19.16
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.
4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 ALA A 224
ALA A 157
ARG A 228
LYS A 232
 None
 1.45A 3kp2B-4re2A:
undetectable		 3kp2B-4re2A:
14.66
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.
4tx1 ESTERASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		4 ASN A  65
ALA A  54
ALA A  67
ARG A 109
 None
 1.43A 3kp2B-4tx1A:
undetectable		 3kp2B-4tx1A:
18.10
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.
4uw2 CSM1

(Thermococcus
onnurineus) 		PF01966
(HD) 		4 ASN A 287
ALA A 207
ALA A 286
ARG A 203
 None
 1.43A 3kp2B-4uw2A:
undetectable		 3kp2B-4uw2A:
13.71
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.
4xrs HOMEOBOX PROTEIN
DLX-3

(Homo sapiens) 		PF00046
(Homeobox) 		4 ALA G 142
ALA G 143
ARG G 146
LYS G 150
 None
 1.36A 3kp2B-4xrsG:
undetectable		 3kp2B-4xrsG:
14.29
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.
4y0e PUTATIVE DIOXYGENASE

(Mycobacteroides
abscessus) 		PF02668
(TauD) 		4 ASN A 101
ALA A 266
ALA A  99
ARG A 273
 EPE  A 403 ( 4.6A)
None
None
None
 1.47A 3kp2B-4y0eA:
undetectable		 3kp2B-4y0eA:
19.53
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.
4ze8 ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN
(AGROCINOPINES A AND
B)

(Agrobacterium
fabrum) 		PF00496
(SBP_bac_5) 		4 ALA A 497
ALA A 498
ARG A 278
LYS A 505
 None
 1.09A 3kp2B-4ze8A:
undetectable		 3kp2B-4ze8A:
14.84
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.
5dil NON-STRUCTURAL
PROTEIN 1

(Influenza B
virus) 		PF02942
(Flu_B_NS1) 		4 ASN A 152
ALA A 155
ARG A 208
LYS A 221
 None
None
None
IOD  A 305 (-3.7A)
 1.45A 3kp2B-5dilA:
undetectable		 3kp2B-5dilA:
23.87
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.
5ihr PROBABLE
BETA-GALACTOSIDASE A

(Aspergillus
niger) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 ASN A 642
ALA A 619
ALA A 988
LYS A  84
 None
 1.38A 3kp2B-5ihrA:
undetectable		 3kp2B-5ihrA:
9.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ASN A 280
ALA A 367
ALA A 366
ARG A 373
 None
 1.48A 3kp2B-5mdnA:
undetectable		 3kp2B-5mdnA:
11.30
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.
5t0z LIPOPROTEIN,
PUTATIVE

(Geobacter
metallireducens) 		no annotation 4 ASN A  44
ALA A  52
ALA A  51
ARG A  54
 None
 1.29A 3kp2B-5t0zA:
undetectable		 3kp2B-5t0zA:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tea INORGANIC
PYROPHOSPHATASE

(Neisseria
gonorrhoeae) 		PF00719
(Pyrophosphatase) 		4 ALA A  89
ALA A 112
ARG A  90
LYS A 122
 None
 1.50A 3kp2B-5teaA:
undetectable		 3kp2B-5teaA:
21.83
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.
5uwv L,D-TRANSPEPTIDASE 2

(Mycobacteroides
abscessus) 		no annotation 4 ASN B 177
ALA B 179
ALA B 180
LYS B 186
 None
 1.02A 3kp2B-5uwvB:
undetectable		 3kp2B-5uwvB:
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.
5w8f MODIFIED BIM BH3
PEPTIDE SAH-MS1-14

(Homo sapiens) 		no annotation 4 ASN B  15
ALA B  19
ALA B  16
ARG B  20
 None
 1.35A 3kp2B-5w8fB:
undetectable		 3kp2B-5w8fB:
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.
5wq8 TYPE II SECRETION
SYSTEM PROTEIN D

(Vibrio cholerae) 		PF00263
(Secretin)
PF03958
(Secretin_N) 		4 ASN A 150
ALA A 146
ALA A 147
ARG A 145
 None
 1.33A 3kp2B-5wq8A:
undetectable		 3kp2B-5wq8A:
13.19
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.
5wyg PROBABLE
ENDORIBONUCLEASE
MAZF7

(Mycobacterium
tuberculosis) 		PF02452
(PemK_toxin) 		4 ALA A  84
ALA A  86
ARG A  85
LYS A   2
 None
 1.40A 3kp2B-5wygA:
undetectable		 3kp2B-5wygA:
23.24
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 4 ASN A 236
ALA A 271
ALA A 274
LYS A 328
 None
 1.40A 3kp2B-5xgwA:
undetectable		 3kp2B-5xgwA:
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.
6elc VARIANT SURFACE
GLYCOPROTEIN

(Trypanosoma
brucei) 		no annotation 4 ASN A 120
ALA A 123
ALA A 124
ARG A 128
 None
 1.36A 3kp2B-6elcA:
undetectable		 3kp2B-6elcA:
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.
6f5d ATP SYNTHASE SUBUNIT
BETA

(Trypanosoma
brucei) 		no annotation 4 ASN D 270
ALA D 235
ALA D 269
ARG D 234
 None
 1.20A 3kp2B-6f5dD:
undetectable		 3kp2B-6f5dD:
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.
6fcx METHYLENETETRAHYDROF
OLATE REDUCTASE

(Homo sapiens) 		no annotation 4 ASN A 290
ALA A 293
ALA A 292
ARG A 295
 None
None
None
CIT  A 703 (-3.1A)
 1.16A 3kp2B-6fcxA:
undetectable		 3kp2B-6fcxA:
undetectable