SIMILAR PATTERNS OF AMINO ACIDS FOR 3KP5_B_KANB2002

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.
1bo6 ESTROGEN
SULFOTRANSFERASE

(Mus musculus) 		PF00685
(Sulfotransfer_1) 		3 ALA A 271
ARG A 273
LYS A 133
 None
 1.12A 3kp5B-1bo6A:
0.0		 3kp5B-1bo6A:
19.06
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.
1fxj UDP-N-ACETYLGLUCOSAM
INE
PYROPHOSPHORYLASE

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		3 ALA A 178
ARG A 182
LYS A 186
 ALA  A 178 ( 0.0A)
ARG  A 182 ( 0.6A)
LYS  A 186 ( 0.0A)
 0.57A 3kp5B-1fxjA:
0.0		 3kp5B-1fxjA:
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.
1fzd FIBRINOGEN-420

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		3 ALA A 836
ARG A 838
LYS A 840
 None
 1.06A 3kp5B-1fzdA:
undetectable		 3kp5B-1fzdA:
20.30
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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		3 ALA A 260
ARG A 264
LYS A 268
 None
 0.97A 3kp5B-1gq2A:
0.0		 3kp5B-1gq2A:
15.74
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.
1ig8 HEXOKINASE PII

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		3 ALA A  84
ARG A  93
LYS A 111
 None
 1.12A 3kp5B-1ig8A:
0.0		 3kp5B-1ig8A:
17.63
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.
1j4j TABTOXIN RESISTANCE
PROTEIN

(Pseudomonas
amygdali) 		PF13673
(Acetyltransf_10) 		3 ALA A  33
ARG A  29
LYS A  65
 None
 1.02A 3kp5B-1j4jA:
undetectable		 3kp5B-1j4jA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n5d CARBONYL
REDUCTASE/20BETA-HYD
ROXYSTEROID
DEHYDROGENASE

(Sus scrofa) 		PF00106
(adh_short) 		3 ALA A  40
ARG A  41
LYS A  14
 None
NDP  A 300 (-3.5A)
NDP  A 300 (-3.8A)
 1.00A 3kp5B-1n5dA:
0.0		 3kp5B-1n5dA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ni6 HEME OXYGENASE 1

(Homo sapiens) 		PF01126
(Heme_oxygenase) 		3 ALA A  31
ARG A  35
LYS A  39
 None
 0.90A 3kp5B-1ni6A:
undetectable		 3kp5B-1ni6A:
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.
1qjp OUTER MEMBRANE
PROTEIN A

(Escherichia
coli) 		PF01389
(OmpA_membrane) 		3 ALA A 136
ARG A 138
LYS A  12
 None
 1.07A 3kp5B-1qjpA:
undetectable		 3kp5B-1qjpA:
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.
1ryy ALPHA-AMINO ACID
ESTER HYDROLASE

(Acetobacter
pasteurianus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		3 ALA A 124
ARG A  73
LYS A  71
 None
 0.97A 3kp5B-1ryyA:
0.3		 3kp5B-1ryyA:
12.86
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.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		3 ALA A 406
ARG A 410
LYS A 414
 None
 0.81A 3kp5B-1tf0A:
2.3		 3kp5B-1tf0A:
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.
1uhm HISTONE H1

(Saccharomyces
cerevisiae) 		PF00538
(Linker_histone) 		3 ALA A 110
ARG A  66
LYS A  70
 None
 1.11A 3kp5B-1uhmA:
0.0		 3kp5B-1uhmA:
17.22
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.
1uwv 23S RRNA
(URACIL-5-)-METHYLTR
ANSFERASE RUMA

(Escherichia
coli) 		PF01938
(TRAM)
PF05958
(tRNA_U5-meth_tr) 		3 ALA A 409
ARG A 383
LYS A 359
 None
 1.04A 3kp5B-1uwvA:
0.8		 3kp5B-1uwvA:
15.22
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.
1v4r TRANSCRIPTIONAL
REPRESSOR

(Streptomyces) 		PF00392
(GntR) 		3 ALA A  55
ARG A  52
LYS A  48
 None
 0.97A 3kp5B-1v4rA:
undetectable		 3kp5B-1v4rA:
21.85
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.
1v9l GLUTAMATE
DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		3 ALA A 194
ARG A 198
LYS A 202
 None
 0.78A 3kp5B-1v9lA:
undetectable		 3kp5B-1v9lA:
18.11
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.
1x2i HEF
HELICASE/NUCLEASE

(Pyrococcus
furiosus) 		PF12826
(HHH_2) 		3 ALA A  21
ARG A  25
LYS A  29
 None
 0.89A 3kp5B-1x2iA:
undetectable		 3kp5B-1x2iA:
23.08
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.
2a8i THREONINE ASPARTASE
1

(Homo sapiens) 		PF01112
(Asparaginase_2) 		3 ALA A 194
ARG A 198
LYS A 202
 None
 0.83A 3kp5B-2a8iA:
undetectable		 3kp5B-2a8iA:
16.37
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		3 ALA A 136
ARG A 176
LYS A 101
 None
 0.90A 3kp5B-2hpiA:
undetectable		 3kp5B-2hpiA:
9.15
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.
2if4 ATFKBP42

(Arabidopsis
thaliana) 		PF00254
(FKBP_C)
PF13181
(TPR_8) 		3 ALA A 266
ARG A 270
LYS A 274
 None
 1.11A 3kp5B-2if4A:
undetectable		 3kp5B-2if4A:
18.71
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.
2j7a CYTOCHROME C NITRITE
REDUCTASE NRFA

(Desulfovibrio
vulgaris) 		PF02335
(Cytochrom_C552) 		3 ALA A 260
ARG A 264
LYS A 268
 None
 0.56A 3kp5B-2j7aA:
undetectable		 3kp5B-2j7aA:
16.31
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.
2ogp PARTITIONING-DEFECTI
VE 3 HOMOLOG

(Rattus
norvegicus) 		PF00595
(PDZ) 		3 ALA A  70
ARG A 109
LYS A  21
 None
 0.90A 3kp5B-2ogpA:
undetectable		 3kp5B-2ogpA:
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.
2oi6 BIFUNCTIONAL PROTEIN
GLMU

(Escherichia
coli) 		PF00132
(Hexapep)
PF12804
(NTP_transf_3) 		3 ALA A 178
ARG A 182
LYS A 186
 None
 0.47A 3kp5B-2oi6A:
undetectable		 3kp5B-2oi6A:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qm8 GTPASE/ATPASE

(Methylobacterium
extorquens) 		PF03308
(ArgK) 		3 ALA A  39
ARG A  38
LYS A 135
 None
PO4  A1502 (-3.8A)
None
 1.08A 3kp5B-2qm8A:
undetectable		 3kp5B-2qm8A:
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.
2xa0 APOPTOSIS REGULATOR
BCL-2

(Homo sapiens) 		PF00452
(Bcl-2)
PF02180
(BH4) 		3 ALA A 174
ARG A  12
LYS A  10
 None
 1.10A 3kp5B-2xa0A:
undetectable		 3kp5B-2xa0A:
17.84
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.
2xik SERINE/THREONINE
PROTEIN KINASE 25

(Homo sapiens) 		PF00069
(Pkinase) 		3 ALA A 118
ARG A 122
LYS A 126
 None
None
EDO  A1293 (-4.2A)
 0.62A 3kp5B-2xikA:
undetectable		 3kp5B-2xikA:
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.
3bj4 POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY
KQT MEMBER 1

(Homo sapiens) 		no annotation 3 ALA A 590
ARG A 594
LYS A 598
 None
 0.82A 3kp5B-3bj4A:
undetectable		 3kp5B-3bj4A:
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		3 ALA A 403
ARG A 402
LYS A 429
 None
 1.11A 3kp5B-3bolA:
undetectable		 3kp5B-3bolA:
15.79
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.
3dkx REPLICATION PROTEIN
REPB

(Streptococcus
agalactiae) 		PF01719
(Rep_2) 		3 ALA A  68
ARG A  72
LYS A  76
 None
 0.75A 3kp5B-3dkxA:
undetectable		 3kp5B-3dkxA:
23.08
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.
3fg9 PROTEIN OF UNIVERSAL
STRESS PROTEIN USPA
FAMILY

(Lactobacillus
plantarum) 		PF00582
(Usp) 		3 ALA A 136
ARG A 140
LYS A 144
 None
 0.91A 3kp5B-3fg9A:
undetectable		 3kp5B-3fg9A:
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB9

(Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF01096
(TFIIS_C)
PF02150
(RNA_POL_M_15KD)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		3 ALA A1152
ARG I  45
LYS I  42
 None
 1.04A 3kp5B-3h0gA:
undetectable		 3kp5B-3h0gA:
7.14
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.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		3 ALA A 134
ARG A 180
LYS A 183
 None
 1.12A 3kp5B-3h6tA:
undetectable		 3kp5B-3h6tA:
18.40
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.
3hrp UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01833
(TIG) 		3 ALA A 419
ARG A 170
LYS A 193
 None
 0.67A 3kp5B-3hrpA:
undetectable		 3kp5B-3hrpA:
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.
3ife PEPTIDASE T

(Bacillus
anthracis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		3 ALA A 171
ARG A 169
LYS A 167
 None
 0.84A 3kp5B-3ifeA:
undetectable		 3kp5B-3ifeA:
18.09
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.
3itf PERIPLASMIC ADAPTOR
PROTEIN CPXP

(Escherichia
coli) 		PF07813
(LTXXQ) 		3 ALA A 108
ARG A 109
LYS A  40
 None
 0.95A 3kp5B-3itfA:
undetectable		 3kp5B-3itfA:
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.
3jby V(D)J
RECOMBINATION-ACTIVA
TING PROTEIN 1

(Danio rerio) 		PF12940
(RAG1) 		3 ALA A 979
ARG A 916
LYS A 912
 None
 0.88A 3kp5B-3jbyA:
undetectable		 3kp5B-3jbyA:
10.88
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.
3ld1 REPLICASE
POLYPROTEIN 1A

(Avian
coronavirus) 		no annotation 3 ALA A  99
ARG A 103
LYS A 107
 None
 0.76A 3kp5B-3ld1A:
undetectable		 3kp5B-3ld1A:
18.56
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.
3mde MEDIUM CHAIN
ACYL-COA
DEHYDROGENASE

(Sus scrofa) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		3 ALA A 145
ARG A 181
LYS A 150
 CO8  A 400 (-3.5A)
None
None
 0.84A 3kp5B-3mdeA:
1.4		 3kp5B-3mdeA:
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.
3mqt MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 ALA A 163
ARG A 166
LYS A 355
 None
 1.12A 3kp5B-3mqtA:
undetectable		 3kp5B-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.
3nb3 OUTER MEMBRANE
PROTEIN A

(Escherichia
coli) 		PF01389
(OmpA_membrane) 		3 ALA A 136
ARG A 138
LYS A  12
 None
 1.07A 3kp5B-3nb3A:
undetectable		 3kp5B-3nb3A:
17.27
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.
3o80 HEXOKINASE

(Kluyveromyces
lactis) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		3 ALA A  84
ARG A  93
LYS A 111
 None
 1.08A 3kp5B-3o80A:
undetectable		 3kp5B-3o80A:
17.82
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.
3ogk JAZ1 INCOMPLETE
DEGRON PEPTIDE

(Arabidopsis
thaliana) 		PF09425
(CCT_2) 		3 ALA Q 207
ARG Q 211
LYS Q 215
 None
 0.73A 3kp5B-3ogkQ:
undetectable		 3kp5B-3ogkQ:
9.40
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.
3ogm JAZ1 DEGRON PEPTIDE

(Arabidopsis
thaliana) 		PF09425
(CCT_2) 		3 ALA Q 207
ARG Q 211
LYS Q 215
 None
 0.72A 3kp5B-3ogmQ:
undetectable		 3kp5B-3ogmQ:
14.67
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.
3p19 PUTATIVE BLUE
FLUORESCENT PROTEIN

(Vibrio
vulnificus) 		PF00106
(adh_short) 		3 ALA A  50
ARG A  66
LYS A  69
 None
 1.04A 3kp5B-3p19A:
undetectable		 3kp5B-3p19A:
22.14
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.
3q60 ROP5B

(Toxoplasma
gondii) 		PF14531
(Kinase-like) 		3 ALA A 378
ARG A 302
LYS A 302
 None
 0.95A 3kp5B-3q60A:
undetectable		 3kp5B-3q60A:
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.
3smt HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		3 ALA A 463
ARG A 467
LYS A 471
 None
 1.03A 3kp5B-3smtA:
undetectable		 3kp5B-3smtA:
17.25
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.
3tsy FUSION PROTEIN
4-COUMARATE--COA
LIGASE 1,
RESVERATROL SYNTHASE

(Arabidopsis
thaliana;
Vitis vinifera) 		PF00195
(Chal_sti_synt_N)
PF00501
(AMP-binding)
PF02797
(Chal_sti_synt_C)
PF13193
(AMP-binding_C) 		3 ALA A 765
ARG A 772
LYS A 710
 None
 1.10A 3kp5B-3tsyA:
undetectable		 3kp5B-3tsyA:
10.61
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.
3u44 ATP-DEPENDENT
HELICASE/NUCLEASE
SUBUNIT A

(Bacillus
subtilis) 		PF00580
(UvrD-helicase)
PF12705
(PDDEXK_1)
PF13361
(UvrD_C) 		3 ALA A 923
ARG A 926
LYS A 939
 None
 1.11A 3kp5B-3u44A:
3.2		 3kp5B-3u44A:
8.77
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.
3ucq AMYLOSUCRASE

(Deinococcus
geothermalis) 		PF00128
(Alpha-amylase) 		3 ALA A 285
ARG A 282
LYS A 324
 None
GOL  A 721 (-3.4A)
None
 1.06A 3kp5B-3ucqA:
undetectable		 3kp5B-3ucqA:
11.40
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.
3unv ADMH

(Pantoea
agglomerans) 		PF00221
(Lyase_aromatic) 		3 ALA A 466
ARG A 470
LYS A 474
 None
 0.76A 3kp5B-3unvA:
0.8		 3kp5B-3unvA:
15.74
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.
4cdp PUTATIVE
HEME/HEMOGLOBIN
TRANSPORT PROTEIN

(Escherichia
coli) 		PF05171
(HemS) 		3 ALA A  71
ARG A  67
LYS A 136
 None
None
EDO  A1341 (-2.9A)
 1.07A 3kp5B-4cdpA:
undetectable		 3kp5B-4cdpA:
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.
4cg4 PYRIN

(Homo sapiens) 		PF00622
(SPRY)
PF13765
(PRY) 		3 ALA A 457
ARG A 461
LYS A 465
 None
 0.96A 3kp5B-4cg4A:
3.4		 3kp5B-4cg4A:
17.76
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.
4dib GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		3 ALA A 230
ARG A 196
LYS A 194
 None
 1.07A 3kp5B-4dibA:
undetectable		 3kp5B-4dibA:
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.
4ha4 BETA-GALACTOSIDASE

(Acidilobus
saccharovorans) 		PF00232
(Glyco_hydro_1) 		3 ALA A 457
ARG A 461
LYS A 465
 None
SIN  A 502 (-3.7A)
SIN  A 502 (-2.7A)
 1.02A 3kp5B-4ha4A:
undetectable		 3kp5B-4ha4A:
14.26
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.
4hu0 CELLULASE

(uncultured
bacterium) 		PF00150
(Cellulase) 		3 ALA A 270
ARG A 274
LYS A 241
 None
 1.00A 3kp5B-4hu0A:
undetectable		 3kp5B-4hu0A:
16.62
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.
4k22 PROTEIN VISC

(Escherichia
coli) 		PF01494
(FAD_binding_3) 		3 ALA A 314
ARG A 318
LYS A 324
 None
 1.02A 3kp5B-4k22A:
undetectable		 3kp5B-4k22A:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ky0 PROTON/GLUTAMATE
SYMPORTER, SDF
FAMILY

(Thermococcus
kodakarensis) 		PF00375
(SDF) 		3 ALA A  78
ARG A  82
LYS A  86
 None
PG4  A 501 (-4.8A)
PG4  A 501 (-4.5A)
 0.86A 3kp5B-4ky0A:
undetectable		 3kp5B-4ky0A:
15.60
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.
4mx2 ADENYLOSUCCINATE
LYASE

(Leishmania
donovani) 		PF00206
(Lyase_1)
PF08328
(ASL_C) 		3 ALA A 384
ARG A 388
LYS A 392
 None
 0.96A 3kp5B-4mx2A:
0.9		 3kp5B-4mx2A:
14.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nph PROBABLE SECRETION
SYSTEM APPARATUS ATP
SYNTHASE SSAN

(Salmonella
enterica) 		PF00006
(ATP-synt_ab) 		3 ALA A 145
ARG A 144
LYS A 426
 None
 1.03A 3kp5B-4nphA:
undetectable		 3kp5B-4nphA:
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.
4o27 SERINE/THREONINE-PRO
TEIN KINASE 24

(Homo sapiens) 		PF00069
(Pkinase) 		3 ALA B 122
ARG B 126
LYS B 130
 None
 0.91A 3kp5B-4o27B:
undetectable		 3kp5B-4o27B:
20.88
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.
4ova FRAGILE X MENTAL
RETARDATION PROTEIN
1

(Homo sapiens) 		PF05641
(Agenet) 		3 ALA A 153
ARG A 180
LYS A 179
 None
 1.04A 3kp5B-4ovaA:
undetectable		 3kp5B-4ovaA:
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.
4po0 SERUM ALBUMIN

(Oryctolagus
cuniculus) 		PF00273
(Serum_albumin) 		3 ALA A 406
ARG A 410
LYS A 414
 NPS  A 603 ( 4.0A)
NPS  A 601 (-4.5A)
NPS  A 601 (-2.7A)
 0.81A 3kp5B-4po0A:
undetectable		 3kp5B-4po0A:
13.04
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.
4ppu CHORISMATE MUTASE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 3 ALA A 272
ARG A 276
LYS A 280
 None
 0.51A 3kp5B-4ppuA:
undetectable		 3kp5B-4ppuA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4re2 BETA-MANNOSIDASE/BET
A-GLUCOSIDASE

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		3 ALA A 224
ARG A 228
LYS A 232
 None
 0.90A 3kp5B-4re2A:
undetectable		 3kp5B-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.
4rku PHOTOSYSTEM I
REACTION CENTER
SUBUNIT II,
CHLOROPLASTIC

(Pisum sativum) 		PF02531
(PsaD) 		3 ALA D 140
ARG D 144
LYS D 148
 None
 0.79A 3kp5B-4rkuD:
undetectable		 3kp5B-4rkuD:
24.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru0 PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC
BRANCHED-CHAIN AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		3 ALA A 116
ARG A 120
LYS A  95
 None
 1.10A 3kp5B-4ru0A:
undetectable		 3kp5B-4ru0A:
15.16
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.
4u3j PROTEIN STU2

(Saccharomyces
cerevisiae) 		no annotation 3 ALA C 517
ARG C 519
LYS C 549
 None
 0.97A 3kp5B-4u3jC:
undetectable		 3kp5B-4u3jC:
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.
4xjx HSDR

(Escherichia
coli) 		PF04313
(HSDR_N)
PF04851
(ResIII)
PF12008
(EcoR124_C) 		3 ALA A 365
ARG A 369
LYS A 373
 None
 0.91A 3kp5B-4xjxA:
undetectable		 3kp5B-4xjxA:
9.74
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.
4xk2 ALDO/KETO REDUCTASE

(Polaromonas sp.
JS666) 		PF00248
(Aldo_ket_red) 		3 ALA A  74
ARG A  78
LYS A  81
 None
 1.09A 3kp5B-4xk2A:
2.1		 3kp5B-4xk2A:
16.96
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.
4xri PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		3 ALA A 856
ARG A 860
LYS A 864
 None
 0.55A 3kp5B-4xriA:
undetectable		 3kp5B-4xriA:
11.21
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.
4xrs HOMEOBOX PROTEIN
DLX-3

(Homo sapiens) 		PF00046
(Homeobox) 		3 ALA G 142
ARG G 146
LYS G 150
 None
 0.96A 3kp5B-4xrsG:
undetectable		 3kp5B-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.
5ahm INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH) 		3 ALA A 238
ARG A  84
LYS A  88
 None
 0.95A 3kp5B-5ahmA:
undetectable		 3kp5B-5ahmA:
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.
5ahn INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00478
(IMPDH)
PF00571
(CBS) 		3 ALA A 238
ARG A  84
LYS A  88
 None
 1.09A 3kp5B-5ahnA:
undetectable		 3kp5B-5ahnA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cej 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Yersinia pestis) 		PF13561
(adh_short_C2) 		3 ALA A 216
ARG A  28
LYS A   2
 None
 1.12A 3kp5B-5cejA:
undetectable		 3kp5B-5cejA:
24.18
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.
5css TRIOSEPHOSPHATE
ISOMERASE

(Thermoplasma
acidophilum) 		PF00121
(TIM) 		3 ALA A  17
ARG A  21
LYS A  25
 None
 1.08A 3kp5B-5cssA:
undetectable		 3kp5B-5cssA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dqf SERUM ALBUMIN

(Equus caballus) 		PF00273
(Serum_albumin) 		3 ALA A 405
ARG A 409
LYS A 413
 None
 0.71A 3kp5B-5dqfA:
undetectable		 3kp5B-5dqfA:
13.59
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.
5eef HDAC6

(Danio rerio) 		PF00850
(Hist_deacetyl) 		3 ALA A 209
ARG A 213
LYS A 217
 None
 1.11A 3kp5B-5eefA:
undetectable		 3kp5B-5eefA:
16.01
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.
5f0o COHESIN SUBUNIT
PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P

(Lachancea
thermotolerans) 		no annotation 3 ALA A 740
ARG A 744
LYS A 748
 None
 1.10A 3kp5B-5f0oA:
undetectable		 3kp5B-5f0oA:
10.77
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.
5ghk SERUM ALBUMIN

(Canis lupus) 		PF00273
(Serum_albumin) 		3 ALA A 406
ARG A 410
LYS A 414
 None
 1.01A 3kp5B-5ghkA:
undetectable		 3kp5B-5ghkA:
13.30
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.
5h69 CHROMOSOME PARTITION
PROTEIN SMC

(Geobacillus
stearothermophilus) 		PF06470
(SMC_hinge) 		3 ALA A 479
ARG A 483
LYS A 487
 None
 0.77A 3kp5B-5h69A:
undetectable		 3kp5B-5h69A:
17.31
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.
5imt INTERMEDILYSIN

(Streptococcus
intermedius) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		3 ALA A  94
ARG A  92
LYS A 107
 ZN  A 607 ( 4.1A)
ZN  A 607 ( 4.9A)
None
 0.99A 3kp5B-5imtA:
undetectable		 3kp5B-5imtA:
15.64
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.
5iq6 RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		3 ALA A 424
ARG A 471
LYS A 469
 None
 1.11A 3kp5B-5iq6A:
undetectable		 3kp5B-5iq6A:
12.74
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		3 ALA A1170
ARG A1174
LYS A1178
 None
 0.89A 3kp5B-5kf7A:
undetectable		 3kp5B-5kf7A:
8.40
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.
5koa CELL DIVISION
PROTEIN ZAPD

(Escherichia
coli) 		PF07072
(ZapD) 		3 ALA A 223
ARG A 221
LYS A 219
 None
 1.07A 3kp5B-5koaA:
undetectable		 3kp5B-5koaA:
21.79
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.
5n6v AMYLOSUCRASE

(Neisseria
polysaccharea) 		no annotation 3 ALA A 287
ARG A 284
LYS A 326
 TRS  A 701 ( 4.0A)
TRS  A 701 ( 4.6A)
None
 1.09A 3kp5B-5n6vA:
undetectable		 3kp5B-5n6vA:
18.06
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.
5opt 40S RIBOSOMAL
PROTEIN S6

(Trypanosoma
cruzi) 		no annotation 3 ALA P 186
ARG P 190
LYS P 194
 None
C  E 318 ( 3.1A)
A  E 315 ( 3.0A)
 0.49A 3kp5B-5optP:
undetectable		 3kp5B-5optP:
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.
5ori ALBUMIN

(Capra hircus) 		no annotation 3 ALA A 405
ARG A 409
LYS A 413
 None
 1.07A 3kp5B-5oriA:
undetectable		 3kp5B-5oriA:
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.
5swn FLUOROACETATE
DEHALOGENASE

(Rhodopseudomonas
palustris) 		PF00561
(Abhydrolase_1) 		3 ALA A 207
ARG A 203
LYS A 179
 None
 1.04A 3kp5B-5swnA:
undetectable		 3kp5B-5swnA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uxn PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Pseudomonas
aeruginosa) 		no annotation 3 ALA A  78
ARG A  82
LYS A  86
 None
 0.76A 3kp5B-5uxnA:
undetectable		 3kp5B-5uxnA:
16.78
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.
5v57 SMOOTHENED
HOMOLOG,FLAVODOXIN,S
MOOTHENED HOMOLOG

(Desulfovibrio
vulgaris;
Homo sapiens) 		PF00258
(Flavodoxin_1)
PF01392
(Fz)
PF01534
(Frizzled) 		3 ALA A 478
ARG A 482
LYS A 510
 None
 1.12A 3kp5B-5v57A:
1.2		 3kp5B-5v57A:
13.26
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.
5vf3 CAPSID VERTEX
PROTEIN GP24

(Escherichia
virus T4) 		PF07068
(Gp23) 		3 ALA a 407
ARG a 409
LYS a 393
 None
 1.01A 3kp5B-5vf3a:
undetectable		 3kp5B-5vf3a:
16.39
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.
5wlh LBACAS13A H328A
(C2C2)

(Lachnospiraceae
bacterium
NK4A179) 		no annotation 3 ALA A 936
ARG A 935
LYS A  20
 None
A  B  -6 ( 4.4A)
A  B  -6 ( 4.6A)
 0.94A 3kp5B-5wlhA:
1.0		 3kp5B-5wlhA:
8.10
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.
5x3h URACIL-DNA
GLYCOSYLASE

(Nitratifractor
salsuginis) 		no annotation 3 ALA A 113
ARG A 117
LYS A 121
 None
 1.02A 3kp5B-5x3hA:
undetectable		 3kp5B-5x3hA:
19.40
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.
5xfh SALT STRESS-INDUCED
PROTEIN

(Oryza sativa) 		no annotation 3 ALA A  36
ARG A  38
LYS A  62
 None
 1.07A 3kp5B-5xfhA:
undetectable		 3kp5B-5xfhA:
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.
5xyi 40S RIBOSOMAL
PROTEIN S23,
PUTATIVE

(Trichomonas
vaginalis) 		PF00164
(Ribosom_S12_S23) 		3 ALA X  12
ARG X  16
LYS X  20
 None
None
C  2 242 ( 4.4A)
 0.87A 3kp5B-5xyiX:
undetectable		 3kp5B-5xyiX:
20.12
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.
5zl9 CHITINASE AB

(Serratia
marcescens) 		no annotation 3 ALA A 635
ARG A 633
LYS A 583
 None
 1.13A 3kp5B-5zl9A:
undetectable		 3kp5B-5zl9A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6azi D-ALANYL-D-ALANINE
ENDOPEPTIDASE

(Enterobacter
cloacae) 		PF00768
(Peptidase_S11) 		3 ALA A  57
ARG A 177
LYS A 181
 None
 1.04A 3kp5B-6aziA:
undetectable		 3kp5B-6aziA:
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.
6bpa MONOCLONAL ANTIBODY
3E9 FAB HEAVY CHAIN

(Mus musculus) 		no annotation 3 ALA B  61
ARG B  59
LYS B  57
 None
 1.00A 3kp5B-6bpaB:
undetectable		 3kp5B-6bpaB:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c5w CALCIUM UNIPORTER

(Metarhizium
acridum) 		no annotation 3 ALA A 396
ARG A 400
LYS A 404
 None
 0.99A 3kp5B-6c5wA:
0.8		 3kp5B-6c5wA:
23.19
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.
6cri -

(-) 		no annotation 3 ALA G 412
ARG G 379
LYS G 383
 None
 1.00A 3kp5B-6criG:
undetectable		 3kp5B-6criG:
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.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase) 		3 ALA B 176
ARG B 223
LYS B 226
 None
 1.04A 3kp5B-6reqB:
undetectable		 3kp5B-6reqB:
12.70