SIMILAR PATTERNS OF AMINO ACIDS FOR 1JKH_A_EFZA999

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.
1atg PERIPLASMIC
MOLYBDATE-BINDING
PROTEIN

(Azotobacter
vinelandii) 		PF13531
(SBP_bac_11) 		5 LEU A  85
VAL A 125
GLY A 122
TRP A 105
LEU A 161
 None
 1.36A 1jkhA-1atgA:
undetectable
1jkhB-1atgA:
0.2		 1jkhA-1atgA:
17.84
1jkhB-1atgA:
18.35
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.
1e2y TRYPAREDOXIN
PEROXIDASE

(Crithidia
fasciculata) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 TYR A  34
GLY A 137
LEU A  41
TYR A 116
GLU A  14
 None
 1.37A 1jkhA-1e2yA:
undetectable
1jkhB-1e2yA:
0.0		 1jkhA-1e2yA:
15.81
1jkhB-1e2yA:
18.54
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.
1g5b SERINE/THREONINE
PROTEIN PHOSPHATASE

(Escherichia
virus Lambda) 		PF00149
(Metallophos) 		5 LEU A  50
VAL A  18
GLY A  19
LEU A  63
GLU A  77
 None
 1.46A 1jkhA-1g5bA:
undetectable
1jkhB-1g5bA:
undetectable		 1jkhA-1g5bA:
16.55
1jkhB-1g5bA:
17.77
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.
1hsj FUSION PROTEIN
CONSISTING OF
STAPHYLOCOCCUS
ACCESSORY REGULATOR
PROTEIN R AND
MALTOSE BINDING
PROTEIN

(Escherichia
coli;
Staphylococcus
aureus) 		PF01547
(SBP_bac_1) 		5 LEU A 280
VAL A  23
VAL A  35
GLY A  24
LEU A 285
 None
 1.38A 1jkhA-1hsjA:
0.0
1jkhB-1hsjA:
0.0		 1jkhA-1hsjA:
22.84
1jkhB-1hsjA:
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.
1lc7 L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		5 LEU A 353
VAL A 338
CYH A 304
TYR A 336
LEU A 315
 None
 1.41A 1jkhA-1lc7A:
0.0
1jkhB-1lc7A:
2.5		 1jkhA-1lc7A:
21.76
1jkhB-1lc7A:
20.61
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.
1lc7 L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		5 LEU A 353
VAL A 338
VAL A 292
TYR A 336
LEU A 315
 None
 1.10A 1jkhA-1lc7A:
0.0
1jkhB-1lc7A:
2.5		 1jkhA-1lc7A:
21.76
1jkhB-1lc7A:
20.61
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.
1oyp RIBONUCLEASE PH

(Bacillus
subtilis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 215
VAL A 164
VAL A 186
GLY A 165
LEU A 219
 None
 1.10A 1jkhA-1oypA:
0.0
1jkhB-1oypA:
undetectable		 1jkhA-1oypA:
18.64
1jkhB-1oypA:
19.00
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.
1udq RIBONUCLEASE PH

(Aquifex
aeolicus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 214
VAL A 164
VAL A 185
GLY A 165
LEU A 218
 None
 1.08A 1jkhA-1udqA:
0.7
1jkhB-1udqA:
undetectable		 1jkhA-1udqA:
19.43
1jkhB-1udqA:
19.77
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.
1w78 FOLC BIFUNCTIONAL
PROTEIN

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 143
VAL A  95
TYR A  81
GLY A  79
LEU A 132
 None
 1.33A 1jkhA-1w78A:
0.0
1jkhB-1w78A:
0.1		 1jkhA-1w78A:
20.21
1jkhB-1w78A:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wiw GLUCOSE-6-PHOSPHATE
ISOMERASE LIKE
PROTEIN

(Thermus
thermophilus) 		PF10432
(bact-PGI_C) 		6 LEU A 109
VAL A 186
TYR A 267
GLY A 278
TRP A 264
GLU A  20
 None
 1.48A 1jkhA-1wiwA:
undetectable
1jkhB-1wiwA:
undetectable		 1jkhA-1wiwA:
19.07
1jkhB-1wiwA:
20.63
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.
1yf2 TYPE I
RESTRICTION-MODIFICA
TION ENZYME, S
SUBUNIT

(Methanocaldococcus
jannaschii) 		PF01420
(Methylase_S) 		5 LEU A 368
VAL A 311
VAL A 308
GLY A 309
LEU A 327
 None
 1.24A 1jkhA-1yf2A:
undetectable
1jkhB-1yf2A:
undetectable		 1jkhA-1yf2A:
22.88
1jkhB-1yf2A:
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.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
gigas) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 LEU A  60
VAL A  87
GLY A  88
LEU A  12
TYR A  44
 GOL  A1272 (-4.0A)
None
GOL  A1271 (-3.8A)
None
None
 1.18A 1jkhA-1yq9A:
undetectable
1jkhB-1yq9A:
undetectable		 1jkhA-1yq9A:
19.44
1jkhB-1yq9A:
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.
1zmo HALOHYDRIN
DEHALOGENASE

(Arthrobacter
sp. AD2) 		PF13561
(adh_short_C2) 		5 LEU A 165
VAL A 158
VAL A 232
GLY A 233
LEU A 114
 None
 1.45A 1jkhA-1zmoA:
1.1
1jkhB-1zmoA:
undetectable		 1jkhA-1zmoA:
18.44
1jkhB-1zmoA:
19.32
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.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		5 VAL A  87
VAL A  35
GLY A  58
TRP A  77
LEU A  81
 None
 1.39A 1jkhA-2gzxA:
undetectable
1jkhB-2gzxA:
undetectable		 1jkhA-2gzxA:
18.75
1jkhB-2gzxA:
21.14
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.
2hak SERINE/THREONINE-PRO
TEIN KINASE MARK1

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		5 LEU A 176
VAL A 172
CYH A 166
GLY A 195
LEU A 181
 None
 1.42A 1jkhA-2hakA:
undetectable
1jkhB-2hakA:
undetectable		 1jkhA-2hakA:
18.90
1jkhB-2hakA:
21.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		8 LEU A 100
LYS A 103
VAL A 106
VAL A 179
TYR A 188
GLY A 190
LEU A 234
TYR A 318
 PC0  A 999 ( 3.9A)
None
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.4A)
PC0  A 999 (-4.1A)
PC0  A 999 ( 4.8A)
PC0  A 999 (-4.2A)
PC0  A 999 (-4.3A)
 0.65A 1jkhA-2hnzA:
35.7
1jkhB-2hnzA:
13.9		 1jkhA-2hnzA:
99.07
1jkhB-2hnzA:
98.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hnz REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H

(Human
immunodeficiency
virus 1) 		PF00075
(RNase_H)
PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LEU A 100
LYS A 103
VAL A 179
TYR A 181
GLY A 190
 PC0  A 999 ( 3.9A)
None
PC0  A 999 (-4.4A)
PC0  A 999 (-3.9A)
PC0  A 999 ( 4.8A)
 1.26A 1jkhA-2hnzA:
35.7
1jkhB-2hnzA:
13.9		 1jkhA-2hnzA:
99.07
1jkhB-2hnzA:
98.86
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.
2i8l HYDROGENASE 3
MATURATION PROTEASE

(Escherichia
coli) 		PF01750
(HycI) 		5 LEU A   5
VAL A   8
GLY A  19
TRP A 142
LEU A 139
 None
 1.32A 1jkhA-2i8lA:
undetectable
1jkhB-2i8lA:
undetectable		 1jkhA-2i8lA:
14.34
1jkhB-2i8lA:
16.63
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 130
VAL A 148
VAL A 230
GLY A 147
TYR A 196
 None
 1.22A 1jkhA-2ix4A:
undetectable
1jkhB-2ix4A:
undetectable		 1jkhA-2ix4A:
21.23
1jkhB-2ix4A:
19.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kmc FERMITIN FAMILY
HOMOLOG 1

(Mus musculus) 		no annotation 5 LEU A  70
VAL A  42
GLY A  40
TRP A  63
LEU A  88
 None
 1.45A 1jkhA-2kmcA:
undetectable
1jkhB-2kmcA:
undetectable		 1jkhA-2kmcA:
10.91
1jkhB-2kmcA:
12.79
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.
2qzx CANDIDAPEPSIN-5

(Candida
albicans) 		PF00026
(Asp) 		5 LEU A 140
VAL A   5
VAL A 104
GLY A 102
LEU A 124
 None
 1.34A 1jkhA-2qzxA:
undetectable
1jkhB-2qzxA:
undetectable		 1jkhA-2qzxA:
20.32
1jkhB-2qzxA:
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.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		5 LEU A 377
VAL A 401
TYR A 361
GLY A 370
TYR A 408
 None
 1.44A 1jkhA-2yjqA:
undetectable
1jkhB-2yjqA:
2.0		 1jkhA-2yjqA:
21.29
1jkhB-2yjqA:
21.76
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.
2yv4 HYPOTHETICAL PROTEIN
PH0435

(Pyrococcus
horikoshii) 		PF03481
(SUA5) 		5 LEU A 262
VAL A 271
VAL A 308
GLY A 270
LEU A 258
 None
 1.32A 1jkhA-2yv4A:
undetectable
1jkhB-2yv4A:
undetectable		 1jkhA-2yv4A:
10.29
1jkhB-2yv4A:
12.13
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.
3a5w PROBABLE
PEROXIREDOXIN

(Aeropyrum
pernix) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		5 LEU A  26
VAL A 131
VAL A  31
GLY A 135
LEU A  39
 None
 1.30A 1jkhA-3a5wA:
undetectable
1jkhB-3a5wA:
undetectable		 1jkhA-3a5wA:
18.89
1jkhB-3a5wA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b4t RIBONUCLEASE PH

(Mycobacterium
tuberculosis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 216
VAL A 166
VAL A 187
GLY A 167
LEU A 220
 None
 1.06A 1jkhA-3b4tA:
undetectable
1jkhB-3b4tA:
undetectable		 1jkhA-3b4tA:
18.72
1jkhB-3b4tA:
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.
3dd6 RIBONUCLEASE PH

(Bacillus
anthracis) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 215
VAL A 164
VAL A 186
GLY A 165
LEU A 219
 None
 1.14A 1jkhA-3dd6A:
undetectable
1jkhB-3dd6A:
undetectable		 1jkhA-3dd6A:
20.00
1jkhB-3dd6A:
19.09
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.
3dt8 BRAIN
PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
SUBUNIT ALPHA

(Bos taurus) 		PF13472
(Lipase_GDSL_2) 		5 LEU A  84
VAL A 101
GLY A  45
LEU A  81
GLU A  88
 None
 1.50A 1jkhA-3dt8A:
1.2
1jkhB-3dt8A:
undetectable		 1jkhA-3dt8A:
16.79
1jkhB-3dt8A:
17.77
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.
3g9k CAPSULE BIOSYNTHESIS
PROTEIN CAPD

(Bacillus
anthracis) 		no annotation 5 LEU L 273
VAL L 261
VAL L 328
TYR L 256
GLY L 254
 None
 1.17A 1jkhA-3g9kL:
undetectable
1jkhB-3g9kL:
undetectable		 1jkhA-3g9kL:
21.18
1jkhB-3g9kL:
25.06
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.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		5 LEU A 371
VAL A 395
TYR A 355
GLY A 364
TYR A 402
 None
 1.36A 1jkhA-3ik2A:
2.0
1jkhB-3ik2A:
1.4		 1jkhA-3ik2A:
24.03
1jkhB-3ik2A:
20.19
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.
3ka7 OXIDOREDUCTASE

(Methanosarcina
mazei) 		PF01593
(Amino_oxidase) 		5 LEU A  65
VAL A 416
GLY A 415
LEU A  10
GLU A 410
 None
 1.49A 1jkhA-3ka7A:
undetectable
1jkhB-3ka7A:
undetectable		 1jkhA-3ka7A:
21.32
1jkhB-3ka7A:
20.77
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.
3n1u HYDROLASE, HAD
SUPERFAMILY,
SUBFAMILY III A

(Legionella
pneumophila) 		PF08282
(Hydrolase_3) 		5 LEU A 162
VAL A  29
CYH A  24
GLY A 117
LEU A 131
 None
 1.33A 1jkhA-3n1uA:
undetectable
1jkhB-3n1uA:
undetectable		 1jkhA-3n1uA:
17.32
1jkhB-3n1uA:
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.
3nvq SEMAPHORIN-7A

(Homo sapiens) 		PF01403
(Sema)
PF01437
(PSI)
PF13895
(Ig_2) 		5 LEU A 427
VAL A 324
VAL A 336
GLY A 323
GLU A 441
 None
 1.04A 1jkhA-3nvqA:
undetectable
1jkhB-3nvqA:
undetectable		 1jkhA-3nvqA:
21.26
1jkhB-3nvqA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oaa ATP SYNTHASE SUBUNIT
BETA

(Escherichia
coli) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 LEU D 147
VAL D 157
VAL D 153
GLY D 154
LEU D 162
 None
ADP  D 600 (-4.0A)
ADP  D 600 (-4.6A)
ADP  D 600 (-3.0A)
None
 1.38A 1jkhA-3oaaD:
undetectable
1jkhB-3oaaD:
undetectable		 1jkhA-3oaaD:
23.03
1jkhB-3oaaD:
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.
3ov3 CURCUMIN SYNTHASE

(Curcuma longa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 LEU A 283
VAL A 298
VAL A 383
GLY A 368
LEU A 317
 None
 1.23A 1jkhA-3ov3A:
undetectable
1jkhB-3ov3A:
undetectable		 1jkhA-3ov3A:
19.86
1jkhB-3ov3A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jnd CA(2+)/CALMODULIN-DE
PENDENT PROTEIN
KINASE PHOSPHATASE

(Caenorhabditis
elegans) 		PF00481
(PP2C) 		5 LEU A 180
VAL A  87
VAL A 420
GLY A 165
TYR A 182
 None
 1.28A 1jkhA-4jndA:
undetectable
1jkhB-4jndA:
undetectable		 1jkhA-4jndA:
22.30
1jkhB-4jndA:
23.21
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.
4jxb INVASION-ASSOCIATED
PROTEIN

(Mycobacterium
tuberculosis) 		PF00877
(NLPC_P60) 		5 LEU A  96
VAL A 108
GLY A 109
LEU A 167
TYR A  91
 None
 1.15A 1jkhA-4jxbA:
undetectable
1jkhB-4jxbA:
undetectable		 1jkhA-4jxbA:
14.51
1jkhB-4jxbA:
16.25
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.
4opf NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A6197
VAL A6343
GLY A6300
LEU A6303
GLU A6201
 None
 1.31A 1jkhA-4opfA:
undetectable
1jkhB-4opfA:
undetectable		 1jkhA-4opfA:
20.96
1jkhB-4opfA:
20.80
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.
4rf7 ARGININE KINASE

(Anthopleura
japonica) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 LEU A  35
VAL A  71
GLY A  70
TRP A  55
LEU A  54
 None
None
ARG  A 805 (-3.8A)
None
None
 1.45A 1jkhA-4rf7A:
undetectable
1jkhB-4rf7A:
3.3		 1jkhA-4rf7A:
22.85
1jkhB-4rf7A:
22.53
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.
4tpn PUTATIVE P450-LIKE
PROTEIN

(Streptomyces
scabiei) 		PF00067
(p450) 		5 LEU A 239
VAL A 211
VAL A 216
GLY A 156
LEU A 204
 None
 1.46A 1jkhA-4tpnA:
undetectable
1jkhB-4tpnA:
undetectable		 1jkhA-4tpnA:
20.91
1jkhB-4tpnA:
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.
4xai MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TAILLESS
ORTHOLOG

(Escherichia
coli;
Tribolium
castaneum) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 LEU A 282
VAL A  25
VAL A  37
GLY A  26
LEU A 287
 None
 1.42A 1jkhA-4xaiA:
undetectable
1jkhB-4xaiA:
undetectable		 1jkhA-4xaiA:
22.27
1jkhB-4xaiA:
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.
4y9a TRIOSEPHOSPHATE
ISOMERASE

(Streptomyces
coelicolor) 		PF00121
(TIM) 		5 LEU A 247
VAL A  47
VAL A 242
GLY A  13
LEU A  19
 None
 1.35A 1jkhA-4y9aA:
1.4
1jkhB-4y9aA:
1.5		 1jkhA-4y9aA:
20.93
1jkhB-4y9aA:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a6b N-ACETYL-BETA-D-GLUC
OSAMINIDASE

(Streptococcus
pneumoniae) 		PF00728
(Glyco_hydro_20) 		5 VAL D 161
CYH D 163
TYR D 121
TRP D 373
TYR D  88
 None
None
None
OAN  D1627 (-3.7A)
None
 1.50A 1jkhA-5a6bD:
undetectable
1jkhB-5a6bD:
1.4		 1jkhA-5a6bD:
22.66
1jkhB-5a6bD:
19.58
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5c24 HIV-1 REVERSE
TRANSCRIPTASE, P51
SUBUNIT

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		5 LYS B 103
VAL B 106
VAL B 179
TYR B 188
GLY B 190
 None
 0.87A 1jkhA-5c24B:
12.8
1jkhB-5c24B:
51.2		 1jkhA-5c24B:
96.46
1jkhB-5c24B:
96.46
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.
5djs TETRATRICOPEPTIDE
TPR_2 REPEAT PROTEIN

(Thermobaculum
terrenum) 		PF13181
(TPR_8)
PF13844
(Glyco_transf_41) 		5 LEU A 181
VAL A 242
VAL A 195
GLY A 166
LEU A 268
 None
 1.36A 1jkhA-5djsA:
undetectable
1jkhB-5djsA:
undetectable		 1jkhA-5djsA:
19.37
1jkhB-5djsA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5for PHOSPHOINOSITIDE
3-KINASE ADAPTER
PROTEIN 1

(Homo sapiens) 		no annotation 5 LEU A  24
VAL A  96
VAL A 131
TRP A  20
LEU A  67
 None
None
I3C  A1141 (-4.3A)
1PE  A1140 (-3.3A)
None
 1.43A 1jkhA-5forA:
undetectable
1jkhB-5forA:
undetectable		 1jkhA-5forA:
11.98
1jkhB-5forA:
15.00
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.
5g51 DWV-VP3-P-DOMAIN

(Deformed wing
virus) 		no annotation 5 LEU A 364
VAL A 332
VAL A 286
GLY A 342
LEU A 358
 None
 1.39A 1jkhA-5g51A:
undetectable
1jkhB-5g51A:
undetectable		 1jkhA-5g51A:
16.73
1jkhB-5g51A:
17.74
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D

(Methanothermococcus
thermolithotrophicus) 		PF02662
(FlpD) 		5 LEU D  92
VAL D  62
CYH D 132
GLY D  61
LEU D  52
 None
 1.43A 1jkhA-5odrD:
undetectable
1jkhB-5odrD:
undetectable		 1jkhA-5odrD:
13.09
1jkhB-5odrD:
16.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 LEU A  99
LYS A 102
VAL A 105
GLY A 189
TYR A 317
 None
 0.64A 1jkhA-5ovnA:
26.5
1jkhB-5ovnA:
15.9		 1jkhA-5ovnA:
55.00
1jkhB-5ovnA:
55.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ovn POL PROTEIN

(Feline
immunodeficiency
virus) 		no annotation 5 LEU A  99
LYS A 102
VAL A 105
LEU A 233
TYR A 317
 None
 0.71A 1jkhA-5ovnA:
26.5
1jkhB-5ovnA:
15.9		 1jkhA-5ovnA:
55.00
1jkhB-5ovnA:
55.00
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.
5t81 EPOB

(Sorangium
cellulosum) 		PF00668
(Condensation) 		5 LEU A 474
LYS A 274
VAL A 469
GLY A 468
LEU A 271
 None
 1.44A 1jkhA-5t81A:
3.4
1jkhB-5t81A:
3.3		 1jkhA-5t81A:
22.30
1jkhB-5t81A:
21.53
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.
5w8o HOMOSERINE
O-ACETYLTRANSFERASE

(Mycolicibacterium
hassiacum) 		PF00561
(Abhydrolase_1) 		5 LEU A 164
VAL A 312
VAL A 153
GLY A 177
LEU A 331
 None
 1.10A 1jkhA-5w8oA:
0.4
1jkhB-5w8oA:
undetectable		 1jkhA-5w8oA:
20.93
1jkhB-5w8oA:
22.03
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 3

(Homo sapiens) 		no annotation 5 LEU A 669
VAL A 614
VAL A 588
GLY A 608
LEU A 675
 None
 1.34A 1jkhA-6en4A:
undetectable
1jkhB-6en4A:
undetectable		 1jkhA-6en4A:
9.89
1jkhB-6en4A:
12.15
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 LEU A 930
VAL A1008
GLY A 749
LEU A 928
GLU A 872
 None
 1.47A 1jkhA-6etzA:
undetectable
1jkhB-6etzA:
undetectable		 1jkhA-6etzA:
8.76
1jkhB-6etzA:
12.47