SIMILAR PATTERNS OF AMINO ACIDS FOR 6NJ9_K_SAMK500_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.
1cq3 VIRAL CHEMOKINE
INHIBITOR

(Cowpox virus) 		PF02250
(Orthopox_35kD) 		5 GLY A 163
GLY A 196
VAL A  21
ALA A 204
ASP A 207
 None
 1.03A 6nj9K-1cq3A:
undetectable		 6nj9K-1cq3A:
22.38
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.
1fw8 PHOSPHOGLYCERATE
KINASE

(Saccharomyces
cerevisiae) 		PF00162
(PGK) 		5 GLY A 164
GLY A 140
VAL A 143
ASP A 241
PHE A 170
 None
 1.04A 6nj9K-1fw8A:
3.1		 6nj9K-1fw8A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j3l DEMETHYLMENAQUINONE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF03737
(RraA-like) 		6 ASP A  63
GLY A  64
GLY A  66
VAL A 132
ASP A  43
PHE A  61
 None
 1.34A 6nj9K-1j3lA:
undetectable		 6nj9K-1j3lA:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jsc ACETOHYDROXY-ACID
SYNTHASE

(Saccharomyces
cerevisiae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PRO A 173
GLY A 523
GLY A 526
GLY A 496
ALA A 531
 None
TPP  A 700 (-4.9A)
None
None
None
 1.03A 6nj9K-1jscA:
3.6		 6nj9K-1jscA:
20.62
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.
1kag SHIKIMATE KINASE I

(Escherichia
coli) 		PF01202
(SKI) 		5 PRO A 121
GLY A  14
GLY A  82
GLY A  11
ALA A  79
 None
 1.03A 6nj9K-1kagA:
2.2		 6nj9K-1kagA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 ASP A 206
GLY A 208
GLY A 210
VAL A 214
ASP A 251
 None
 0.59A 6nj9K-1kywA:
9.1		 6nj9K-1kywA:
22.12
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.
1kyw CAFFEIC ACID
3-O-METHYLTRANSFERAS
E

(Medicago sativa) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 ASP A 206
GLY A 208
VAL A 214
ASP A 251
PHE A 263
 None
 0.98A 6nj9K-1kywA:
9.1		 6nj9K-1kywA:
22.12
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 ASP A  39
GLY A  41
GLY A  43
VAL A  47
ASP A  90
 None
SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
SAH  A 801 (-4.9A)
SAH  A 801 (-3.8A)
 0.90A 6nj9K-1l3iA:
11.8		 6nj9K-1l3iA:
19.14
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.
1l3i PRECORRIN-6Y
METHYLTRANSFERASE/PU
TATIVE DECARBOXYLASE

(Methanothermobacter
thermautotrophicus) 		PF13847
(Methyltransf_31) 		5 GLY A  15
ASP A  39
GLY A  41
GLY A  43
ASP A  90
 SAH  A 801 ( 3.8A)
None
SAH  A 801 (-3.4A)
SAH  A 801 (-3.2A)
SAH  A 801 (-3.8A)
 1.08A 6nj9K-1l3iA:
11.8		 6nj9K-1l3iA:
19.14
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.
1o54 SAM-DEPENDENT
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF08704
(GCD14) 		5 ASP A 106
GLY A 108
GLY A 110
ASP A 160
PHE A 174
 None
 0.87A 6nj9K-1o54A:
12.9		 6nj9K-1o54A:
21.55
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.
1ozh ACETOLACTATE
SYNTHASE, CATABOLIC

(Klebsiella
pneumoniae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 497
GLY A 448
GLY A 476
VAL A 473
PHE A 501
 None
HE3  A1406 (-3.4A)
MG  A1405 ( 4.0A)
None
None
 1.09A 6nj9K-1ozhA:
2.2		 6nj9K-1ozhA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pgu ACTIN INTERACTING
PROTEIN 1

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 GLY A 135
GLY A 117
GLN A 113
VAL A 114
ASP A 181
 None
 0.95A 6nj9K-1pguA:
undetectable		 6nj9K-1pguA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q2e EXOCELLOBIOHYDROLASE
I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		5 GLY A 185
ASP A 150
GLY A 153
GLY A 170
ALA A  36
 PCA  A   1 ( 3.3A)
None
None
None
None
 1.08A 6nj9K-1q2eA:
undetectable		 6nj9K-1q2eA:
20.17
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.
1qzz ACLACINOMYCIN-10-HYD
ROXYLASE

(Streptomyces
purpurascens) 		PF00891
(Methyltransf_2) 		5 ASP A 188
GLY A 190
GLY A 192
ASP A 240
PHE A 241
 ACT  A 421 (-2.8A)
SAM  A 635 (-3.8A)
SAM  A 635 (-3.5A)
SAM  A 635 (-3.7A)
SAM  A 635 (-3.4A)
 0.87A 6nj9K-1qzzA:
8.6		 6nj9K-1qzzA:
24.78
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.
1ri3 MRNA CAPPING ENZYME

(Encephalitozoon
cuniculi) 		PF03291
(Pox_MCEL) 		5 ASP A  70
GLY A  72
GLY A  74
ALA A  96
ASP A 122
 SAH  A 299 ( 4.9A)
SAH  A 299 (-3.3A)
SAH  A 299 (-3.5A)
SAH  A 299 ( 3.8A)
SAH  A 299 (-3.2A)
 0.66A 6nj9K-1ri3A:
10.3		 6nj9K-1ri3A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u2z HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Saccharomyces
cerevisiae) 		PF08123
(DOT1) 		5 GLY A 373
ASP A 397
GLY A 399
GLY A 401
PHE A 460
 SAH  A 801 (-4.2A)
SAH  A 801 (-3.0A)
SAH  A 801 (-3.1A)
SAH  A 801 ( 4.2A)
SAH  A 801 (-3.5A)
 0.57A 6nj9K-1u2zA:
3.1		 6nj9K-1u2zA:
23.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uuf ZINC-TYPE ALCOHOL
DEHYDROGENASE-LIKE
PROTEIN YAHK

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 179
GLY A 187
GLY A 182
ALA A 214
ASP A 315
 None
 1.05A 6nj9K-1uufA:
5.3		 6nj9K-1uufA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xru 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE

(Escherichia
coli) 		PF04962
(KduI) 		5 GLY A  79
GLY A  49
VAL A  59
PHE A  30
PHE A 115
 None
 1.05A 6nj9K-1xruA:
undetectable		 6nj9K-1xruA:
20.09
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.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
gigas) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 PRO A 252
GLY A 110
GLY A 130
GLY A  75
ALA A 120
 None
SF4  A 267 ( 3.7A)
None
None
None
 1.02A 6nj9K-1yq9A:
undetectable		 6nj9K-1yq9A:
19.72
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.
1zgj ISOFLAVANONE
4'-O-METHYLTRANSFERA
SE'

(Medicago
truncatula) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 ASP A 205
GLY A 207
GLY A 209
VAL A 213
ASP A 250
 SAH  A3994 ( 4.6A)
SAH  A3994 (-3.9A)
SAH  A3994 ( 4.0A)
SAH  A3994 (-4.7A)
SAH  A3994 (-3.4A)
 0.86A 6nj9K-1zgjA:
7.4		 6nj9K-1zgjA:
21.12
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.
2bgk RHIZOME
SECOISOLARICIRESINOL
DEHYDROGENASE

(Podophyllum
peltatum) 		PF13561
(adh_short_C2) 		5 GLY A  27
GLY A  24
ALA A  49
ASP A  72
PHE A  97
 None
 0.85A 6nj9K-2bgkA:
4.8		 6nj9K-2bgkA:
21.86
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.
2gr9 PYRROLINE-5-CARBOXYL
ATE REDUCTASE 1

(Homo sapiens) 		PF03807
(F420_oxidored)
PF14748
(P5CR_dimer) 		5 GLY A  18
VAL A   3
ALA A  44
ASP A  38
PHE A  67
 None
 1.07A 6nj9K-2gr9A:
3.2		 6nj9K-2gr9A:
21.45
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.
2h8x XENOBIOTIC REDUCTASE
A

(Pseudomonas
putida) 		PF00724
(Oxidored_FMN) 		5 PRO A  62
GLY A  69
ASP A 123
GLY A 126
ALA A 107
 None
 1.00A 6nj9K-2h8xA:
undetectable		 6nj9K-2h8xA:
23.88
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.
2jjf L-LYSINE EPSILON
AMINOTRANSFERASE

(Mycobacterium
tuberculosis) 		PF00202
(Aminotran_3) 		5 PRO A 426
GLY A 278
GLY A 361
GLY A 386
GLN A 288
 None
 1.04A 6nj9K-2jjfA:
undetectable		 6nj9K-2jjfA:
21.40
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.
2nq2 HYPOTHETICAL ABC
TRANSPORTER PERMEASE
PROTEIN HI1471

(Haemophilus
influenzae) 		PF01032
(FecCD) 		5 GLY A 261
GLY A 258
VAL A  72
ALA A 104
PHE A 189
 None
 1.01A 6nj9K-2nq2A:
undetectable		 6nj9K-2nq2A:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o9r BETA-GLUCOSIDASE B

(Paenibacillus
polymyxa) 		PF00232
(Glyco_hydro_1) 		5 PRO A  34
GLY A  30
ASP A  58
GLY A  25
ALA A  83
 None
 1.00A 6nj9K-2o9rA:
undetectable		 6nj9K-2o9rA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		5 ASP A  79
GLY A  81
GLY A  83
LYS A 105
ASP A 131
 None
SAH  A 301 (-3.0A)
SAH  A 301 (-3.2A)
None
SAH  A 301 (-3.2A)
 0.76A 6nj9K-2oy0A:
7.5		 6nj9K-2oy0A:
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.
2pbk KSHV PROTEASE

(Human
gammaherpesvirus
8) 		PF00716
(Peptidase_S21) 		6 GLY A  57
GLY A   8
GLY A  69
VAL A 135
ALA A 154
PHE A 161
 None
 1.45A 6nj9K-2pbkA:
undetectable		 6nj9K-2pbkA:
20.24
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.
2vwq GLUCOSE
DEHYDROGENASE

(Haloferax
mediterranei) 		PF08240
(ADH_N)
PF16912
(Glu_dehyd_C) 		5 PRO A  13
GLY A  62
GLY A 122
VAL A  87
ALA A   3
 None
 1.03A 6nj9K-2vwqA:
4.3		 6nj9K-2vwqA:
20.76
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.
2wrz L-ARABINOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF00532
(Peripla_BP_1) 		5 GLY A  60
VAL A  35
ALA A  78
ASP A  82
PHE A  33
 None
 1.08A 6nj9K-2wrzA:
2.9		 6nj9K-2wrzA:
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 PRO A  71
GLY A  99
GLY A 101
VAL A  96
ALA A 132
 None
COA  A 760 ( 4.0A)
None
COA  A 760 ( 4.6A)
GOL  A 770 (-3.8A)
 1.08A 6nj9K-2x58A:
2.2		 6nj9K-2x58A:
20.49
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.
2xdr BETAINE ALDEHYDE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00171
(Aldedh) 		5 GLY A 148
GLY A 209
GLY A 213
VAL A 237
ALA A  41
 None
NDP  A5502 (-2.9A)
NDP  A5502 (-3.7A)
NDP  A5502 (-4.3A)
None
 1.09A 6nj9K-2xdrA:
2.5		 6nj9K-2xdrA:
24.02
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.
2xva TELLURITE RESISTANCE
PROTEIN TEHB

(Escherichia
coli) 		PF03848
(TehB) 		5 ASP A  36
GLY A  38
GLY A  40
LYS A  60
ASP A  86
 SFG  A1198 ( 4.7A)
SFG  A1198 (-4.3A)
SFG  A1198 (-3.2A)
SFG  A1198 (-3.3A)
SFG  A1198 (-3.9A)
 0.63A 6nj9K-2xvaA:
11.8		 6nj9K-2xvaA:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zfu CEREBRAL PROTEIN 1

(Homo sapiens) 		PF05148
(Methyltransf_8) 		5 ASP A 314
GLY A 316
GLY A 318
ALA A 336
ASP A 346
 SAH  A 900 ( 4.6A)
SAH  A 900 (-3.5A)
SAH  A 900 ( 3.7A)
None
SAH  A 900 (-3.6A)
 1.05A 6nj9K-2zfuA:
3.1		 6nj9K-2zfuA:
20.05
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.
3ayf NITRIC OXIDE
REDUCTASE

(Geobacillus
stearothermophilus) 		PF00115
(COX1) 		5 GLY A 424
ASP A  83
GLY A  80
GLY A 427
ALA A  74
 None
 0.89A 6nj9K-3ayfA:
undetectable		 6nj9K-3ayfA:
18.46
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.
3c7o ENDO-1,4-BETA-XYLANA
SE

(Bacillus
subtilis) 		PF03422
(CBM_6)
PF04616
(Glyco_hydro_43) 		5 GLY A 205
ASP A 171
GLY A 172
GLY A 174
ALA A 106
 None
 0.93A 6nj9K-3c7oA:
undetectable		 6nj9K-3c7oA:
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.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		6 ASP A  44
GLY A  46
GLY A  48
ALA A  69
ASP A  89
PHE A 103
 None
 0.96A 6nj9K-3ccfA:
9.7		 6nj9K-3ccfA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ccf CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE

(Trichormus
variabilis) 		PF08241
(Methyltransf_11) 		6 ASP A  44
GLY A  46
GLY A  48
GLN A  51
ALA A  69
ASP A  89
 None
 0.79A 6nj9K-3ccfA:
9.7		 6nj9K-3ccfA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e05 PRECORRIN-6Y
C5,15-METHYLTRANSFER
ASE
(DECARBOXYLATING)

(Geobacter
metallireducens) 		no annotation 5 ASP A 254
GLY A 256
GLY A 258
VAL A 262
PHE A 321
 None
None
CL  A   1 ( 4.7A)
None
None
 0.51A 6nj9K-3e05A:
11.4		 6nj9K-3e05A:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fkd L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Porphyromonas
gingivalis) 		PF00155
(Aminotran_1_2) 		5 GLY A  75
GLY A 207
VAL A 192
ALA A 232
PHE A  80
 None
 1.04A 6nj9K-3fkdA:
4.2		 6nj9K-3fkdA:
21.17
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.
3gxo MMCR

(Streptomyces
lavendulae) 		PF00891
(Methyltransf_2) 		5 ASP A 188
GLY A 190
GLY A 192
ASP A 240
PHE A 241
 SAH  A 350 ( 4.9A)
SAH  A 350 (-4.1A)
SAH  A 350 (-3.6A)
SAH  A 350 (-3.4A)
SAH  A 350 (-3.6A)
 0.72A 6nj9K-3gxoA:
10.8		 6nj9K-3gxoA:
22.12
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.
3lkz NON-STRUCTURAL
PROTEIN 5

(West Nile virus) 		PF01728
(FtsJ) 		5 ASP A  79
GLY A  81
GLY A  83
LYS A 105
ASP A 131
 SFG  A 301 ( 4.9A)
SFG  A 301 (-3.5A)
SFG  A 301 (-3.3A)
None
SFG  A 301 (-3.1A)
 0.86A 6nj9K-3lkzA:
7.6		 6nj9K-3lkzA:
20.71
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.
3lst CALO1
METHYLTRANSFERASE

(Micromonospora
echinospora) 		PF00891
(Methyltransf_2) 		5 ASP A 187
GLY A 189
GLY A 191
ASP A 237
PHE A 238
 SAH  A 346 ( 4.5A)
SAH  A 346 (-4.0A)
SAH  A 346 ( 3.7A)
SAH  A 346 (-3.6A)
SAH  A 346 (-3.4A)
 0.76A 6nj9K-3lstA:
7.4		 6nj9K-3lstA:
22.32
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.
3lxu TRIPEPTIDYL-PEPTIDAS
E 2

(Drosophila
melanogaster) 		PF00082
(Peptidase_S8)
PF12580
(TPPII)
PF12583
(TPPII_N) 		5 GLY X 513
GLY X 395
GLY X 397
VAL X 468
ASP X 387
 None
 1.01A 6nj9K-3lxuX:
2.9		 6nj9K-3lxuX:
15.24
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.
3ng9 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		5 GLY A 616
GLY A 637
ALA A 620
PHE A 416
PHE A 307
 None
 0.95A 6nj9K-3ng9A:
undetectable		 6nj9K-3ng9A:
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.
3njr PRECORRIN-6Y
METHYLASE

(Rhodobacter
capsulatus) 		no annotation 5 ASP A  40
GLY A  42
GLY A  44
VAL A  48
PHE A 106
 SAH  A 300 ( 4.8A)
SAH  A 300 (-3.1A)
SAH  A 300 (-3.4A)
None
None
 0.68A 6nj9K-3njrA:
9.6		 6nj9K-3njrA:
18.07
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.
3ntt CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
B) 		PF00740
(Parvo_coat) 		5 GLY A 605
GLY A 626
ALA A 609
PHE A 408
PHE A 297
 None
 0.96A 6nj9K-3nttA:
undetectable		 6nj9K-3nttA:
18.74
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.
3p9u TETX2 PROTEIN

(Bacteroides
thetaiotaomicron) 		PF01494
(FAD_binding_3) 		5 GLY A  28
GLY A  23
VAL A 133
ALA A 312
ASP A 330
 None
FAD  A 401 (-3.2A)
None
None
None
 0.92A 6nj9K-3p9uA:
undetectable		 6nj9K-3p9uA:
21.30
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.
3qfk UNCHARACTERIZED
PROTEIN

(Staphylococcus
aureus) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 GLY A  14
GLY A 252
VAL A   9
ASP A 280
PHE A 284
 None
 1.03A 6nj9K-3qfkA:
undetectable		 6nj9K-3qfkA:
21.73
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.
3ra2 CAPSID PROTEIN

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		5 GLY A 618
GLY A 639
ALA A 622
PHE A 418
PHE A 309
 None
 0.98A 6nj9K-3ra2A:
undetectable		 6nj9K-3ra2A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s30 HYPOTHETICAL
GLYCOSIDE HYDROLASE

(Bacteroides
vulgatus) 		PF13201
(PCMD) 		5 GLY A 216
GLY A 165
ALA A 232
ASP A 291
PHE A 238
 None
 1.08A 6nj9K-3s30A:
undetectable		 6nj9K-3s30A:
23.26
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.
3shm CAPSID PROTEIN VP1

(Adeno-associated
dependoparvovirus
A) 		PF00740
(Parvo_coat) 		5 GLY A 616
GLY A 637
ALA A 620
PHE A 416
PHE A 307
 None
 0.97A 6nj9K-3shmA:
undetectable		 6nj9K-3shmA:
19.78
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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		5 PRO A 134
GLY A 151
ASP A 165
GLY A 157
ALA A 170
 None
 1.07A 6nj9K-3ti7A:
undetectable		 6nj9K-3ti7A:
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.
3tsm INDOLE-3-GLYCEROL
PHOSPHATE SYNTHASE

(Brucella
abortus) 		PF00218
(IGPS) 		5 GLY A 190
ALA A 154
ASP A 159
PHE A 162
PHE A  42
 None
 0.84A 6nj9K-3tsmA:
undetectable		 6nj9K-3tsmA:
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 250
GLY A 343
VAL A 331
ALA A 189
PHE A 268
 GOL  A 472 (-3.5A)
None
None
None
None
 1.04A 6nj9K-3uw2A:
undetectable		 6nj9K-3uw2A:
21.06
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		5 GLY A 250
GLY A 347
GLY A 343
VAL A 331
ALA A 189
 GOL  A 472 (-3.5A)
None
None
None
None
 0.78A 6nj9K-3uw2A:
undetectable		 6nj9K-3uw2A:
21.06
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.
3vyw MNMC2

(Aquifex
aeolicus) 		PF05430
(Methyltransf_30) 		5 ASP A 102
GLY A 104
GLY A 106
LYS A 134
ASP A 174
 SAM  A 501 ( 4.9A)
SAM  A 501 (-3.6A)
SAM  A 501 (-3.3A)
SAM  A 501 (-4.4A)
SAM  A 501 (-3.4A)
 0.78A 6nj9K-3vywA:
4.7		 6nj9K-3vywA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a69 HISTONE DEACETYLASE
3,

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 PRO A  26
GLY A 296
GLY A 131
GLY A 294
ASP A  10
 None
ACT  A 501 (-3.0A)
None
None
None
 0.98A 6nj9K-4a69A:
3.0		 6nj9K-4a69A:
19.91
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.
4a6e HYDROXYINDOLE
O-METHYLTRANSFERASE

(Homo sapiens) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		5 ASP A 185
GLY A 187
GLY A 189
ASP A 236
PHE A 237
 SAM  A1349 ( 4.6A)
SAM  A1349 (-3.6A)
SAM  A1349 ( 3.8A)
SAM  A1349 (-3.5A)
SAM  A1349 (-3.5A)
 0.71A 6nj9K-4a6eA:
9.3		 6nj9K-4a6eA:
22.84
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.
4eaa PEROSAMINE
N-ACETYLTRANSFERASE

(Caulobacter
vibrioides) 		PF00132
(Hexapep) 		5 GLY A  74
GLY A  14
VAL A  22
ALA A  39
PHE A  70
 JB2  A 301 (-3.3A)
JB2  A 301 ( 4.1A)
None
JB2  A 301 (-3.5A)
None
 1.06A 6nj9K-4eaaA:
undetectable		 6nj9K-4eaaA:
21.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		7 ASP A 161
GLY A 163
GLY A 165
GLN A 168
ALA A 188
ASP A 222
PHE A 223
 AW2  A 502 (-2.9A)
AW2  A 502 (-3.2A)
AW2  A 502 (-3.5A)
None
AW2  A 502 (-3.6A)
AW2  A 502 (-3.5A)
AW2  A 502 (-3.4A)
 0.61A 6nj9K-4er6A:
35.5		 6nj9K-4er6A:
99.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4er6 HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		7 ASP A 161
GLY A 163
GLY A 165
VAL A 169
ALA A 188
ASP A 222
PHE A 223
 AW2  A 502 (-2.9A)
AW2  A 502 (-3.2A)
AW2  A 502 (-3.5A)
AW2  A 502 (-4.4A)
AW2  A 502 (-3.6A)
AW2  A 502 (-3.5A)
AW2  A 502 (-3.4A)
 0.48A 6nj9K-4er6A:
35.5		 6nj9K-4er6A:
99.76
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.
4f0x MALONYL-COA
DECARBOXYLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF05292
(MCD)
PF17408
(MCD_N) 		5 PRO A 173
GLY A  89
GLY A  96
GLY A  94
VAL A  48
 None
 1.03A 6nj9K-4f0xA:
undetectable		 6nj9K-4f0xA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hq6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 432
GLY A 404
GLN A 393
VAL A 390
ALA A 443
 None
 1.09A 6nj9K-4hq6A:
undetectable		 6nj9K-4hq6A:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 ASP A 230
GLY A 232
GLY A 234
ASP A 281
PHE A 296
 SAH  A 501 ( 4.8A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.6A)
SAH  A 501 (-3.5A)
None
 0.68A 6nj9K-4ineA:
11.0		 6nj9K-4ineA:
20.40
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 ASP A  57
GLY A  59
GLY A  61
ASP A 105
PHE A 120
 None
SAH  A 502 (-3.6A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.0A)
None
 0.63A 6nj9K-4krgA:
9.8		 6nj9K-4krgA:
22.55
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.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 ASP A 226
GLY A 228
GLY A 230
ASP A 277
PHE A 292
 SAH  A 701 ( 4.6A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.5A)
SAH  A 701 (-3.4A)
None
 0.69A 6nj9K-4kriA:
8.5		 6nj9K-4kriA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m73 METHYLTRANSFERASE
MPPJ

(Streptomyces
hygroscopicus) 		PF13649
(Methyltransf_25) 		5 ASP A 164
GLY A 166
GLY A 168
ALA A 191
ASP A 217
 SAH  A 401 ( 4.6A)
SAH  A 401 (-3.4A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.5A)
SAH  A 401 ( 3.7A)
 0.56A 6nj9K-4m73A:
8.7		 6nj9K-4m73A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nfu EDS1

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		5 GLY A 126
VAL A 189
ALA A 270
ASP A 163
PHE A  52
 None
 0.96A 6nj9K-4nfuA:
undetectable		 6nj9K-4nfuA:
20.55
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.
4p3h KSHV PROTEASE

(Human
gammaherpesvirus
8) 		PF00716
(Peptidase_S21) 		6 GLY A  57
GLY A   8
GLY A  69
VAL A 135
ALA A 154
PHE A 161
 None
 1.41A 6nj9K-4p3hA:
undetectable		 6nj9K-4p3hA:
18.85
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.
4rso CAPSID PROTEIN VP1

(Non-human
primate
Adeno-associated
virus) 		PF00740
(Parvo_coat) 		5 GLY A 616
GLY A 637
ALA A 620
PHE A 417
PHE A 308
 None
 1.00A 6nj9K-4rsoA:
undetectable		 6nj9K-4rsoA:
18.46
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.
4wy9 PUTATIVE MCP-TYPE
SIGNAL TRANSDUCTION
PROTEIN

(Campylobacter
jejuni) 		PF02743
(dCache_1) 		5 PRO A 117
GLY A 211
GLN A 165
VAL A 164
PHE A  79
 None
 0.96A 6nj9K-4wy9A:
undetectable		 6nj9K-4wy9A:
22.33
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.
4zzp CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
purpureum) 		PF00840
(Glyco_hydro_7) 		5 GLY A 184
ASP A 149
GLY A 152
GLY A 169
ALA A  36
 PCA  A   1 ( 3.3A)
None
None
None
None
 1.08A 6nj9K-4zzpA:
undetectable		 6nj9K-4zzpA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bt8 PHOSPHOGLYCERATE
KINASE

(Acinetobacter
baumannii) 		PF00162
(PGK) 		5 GLY A 214
GLY A 191
VAL A 194
ASP A 295
PHE A 221
 None
 1.03A 6nj9K-5bt8A:
2.9		 6nj9K-5bt8A:
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.
5ccx TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRMT61A

(Homo sapiens) 		PF08704
(GCD14) 		5 GLY A 111
GLY A 113
VAL A 117
ASP A 163
PHE A 179
 SAH  A 301 (-3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-4.3A)
SAH  A 301 (-2.7A)
None
 1.05A 6nj9K-5ccxA:
11.9		 6nj9K-5ccxA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvv (ISO)EUGENOL
O-METHYLTRANSFERASE

(Clarkia breweri) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		6 ASP A 209
GLY A 211
GLY A 213
VAL A 217
ASP A 254
PHE A 266
 SAH  A 401 ( 4.6A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.7A)
None
SAH  A 401 (-3.5A)
None
 0.87A 6nj9K-5cvvA:
8.5		 6nj9K-5cvvA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dly PLANTAZOLICIN
METHYLTRANSFERASE
BAML

(Bacillus
velezensis) 		PF13847
(Methyltransf_31) 		5 ASP A  66
GLY A  68
GLY A  70
VAL A  74
PHE A 129
 SAH  A 301 ( 4.7A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.7A)
None
None
 0.73A 6nj9K-5dlyA:
6.0		 6nj9K-5dlyA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dm4 METHYLTRANSFERASE
DOMAIN FAMILY

(Bacillus
pumilus) 		PF13489
(Methyltransf_23) 		5 ASP A  65
GLY A  67
GLY A  69
GLN A  72
ASP A 112
 SAH  A 300 ( 4.4A)
SAH  A 300 (-3.6A)
SAH  A 300 ( 3.7A)
None
SAH  A 300 (-2.9A)
 0.80A 6nj9K-5dm4A:
9.3		 6nj9K-5dm4A:
21.45
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.
5dmh UNCHARACTERIZED
PROTEIN CONSERVED IN
BACTERIA

(Cupriavidus
necator) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 PRO A 394
GLY A  21
GLY A 235
GLY A 233
VAL A  91
 None
 0.89A 6nj9K-5dmhA:
undetectable		 6nj9K-5dmhA:
21.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		8 ASP A 161
GLY A 163
GLY A 165
GLN A 168
LYS A 187
ALA A 188
ASP A 222
PHE A 223
 None
 0.65A 6nj9K-5dtrA:
35.0		 6nj9K-5dtrA:
92.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5dtr HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC

(Homo sapiens) 		PF08123
(DOT1) 		9 ASP A 161
GLY A 163
GLY A 165
VAL A 169
LYS A 187
ALA A 188
ASP A 222
PHE A 223
PHE A 239
 None
None
None
None
None
None
None
None
5F7  A 401 (-3.9A)
 0.57A 6nj9K-5dtrA:
35.0		 6nj9K-5dtrA:
92.50
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.
5e9j MRNA CAP GUANINE-N7
METHYLTRANSFERASE,MR
NA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 ASP A 203
GLY A 205
GLY A 207
ALA A 229
ASP A 261
 SAH  A 501 ( 4.3A)
SAH  A 501 (-3.4A)
SAH  A 501 (-3.4A)
SAH  A 501 ( 4.2A)
SAH  A 501 (-3.5A)
 0.77A 6nj9K-5e9jA:
9.8		 6nj9K-5e9jA:
20.38
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.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 ASP A  79
GLY A  81
GLY A  83
LYS A 105
ASP A 131
 SAM  A 301 ( 4.9A)
SAM  A 301 (-3.3A)
SAM  A 301 (-3.1A)
None
SAM  A 301 (-3.4A)
 1.00A 6nj9K-5e9qA:
7.2		 6nj9K-5e9qA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9w MRNA CAP GUANINE-N7
METHYLTRANSFERASE

(Homo sapiens) 		PF03291
(Pox_MCEL) 		5 ASP A 203
GLY A 205
GLY A 207
ALA A 229
ASP A 261
 SAH  A 500 ( 4.8A)
SAH  A 500 (-3.8A)
SAH  A 500 (-3.5A)
SAH  A 500 ( 3.9A)
SAH  A 500 (-3.6A)
 0.88A 6nj9K-5e9wA:
9.9		 6nj9K-5e9wA:
20.38
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.
5fjj BETA-GLUCOSIDASE

(Aspergillus
oryzae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 511
ASP A  93
GLY A 453
GLY A 451
ALA A 449
 None
PEG  A6002 (-3.3A)
None
None
None
 1.09A 6nj9K-5fjjA:
3.6		 6nj9K-5fjjA:
17.95
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.
5fq6 PUTATIVE LIPOPROTEIN
SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron;
Bacteroides
thetaiotaomicron) 		PF12771
(SusD-like_2)
PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY B 427
GLY B 435
GLY B 433
ASP A 308
PHE B 440
 None
 1.06A 6nj9K-5fq6B:
undetectable		 6nj9K-5fq6B:
18.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h8w ATP-DEPENDENT DNA
HELICASE TA0057

(Thermoplasma
acidophilum) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		5 GLY A  32
GLY A 405
GLY A  34
ALA A  39
PHE A 408
 None
 1.07A 6nj9K-5h8wA:
3.6		 6nj9K-5h8wA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikm NS5 METHYL
TRANSFERASE

(Dengue virus) 		PF01728
(FtsJ) 		5 ASP A  79
GLY A  81
GLY A  83
LYS A 105
ASP A 131
 SAM  A 311 ( 4.9A)
SAM  A 311 (-3.2A)
SAM  A 311 (-3.3A)
MLT  A 313 ( 3.0A)
MLT  A 313 ( 2.6A)
 0.54A 6nj9K-5ikmA:
7.5		 6nj9K-5ikmA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		5 GLY A 168
ASP A  64
GLY A  63
GLY A 148
ALA A  16
 None
 0.87A 6nj9K-5j44A:
undetectable		 6nj9K-5j44A:
16.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jjr GENOME POLYPROTEIN

(Dengue virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		5 ASP A  79
GLY A  81
GLY A  83
LYS A 105
ASP A 131
 None
SAH  A1003 (-3.4A)
SAH  A1003 (-3.5A)
SAH  A1003 (-4.8A)
SAH  A1003 (-3.0A)
 0.52A 6nj9K-5jjrA:
6.9		 6nj9K-5jjrA:
17.73
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.
5jr3 CARMINOMYCIN
4-O-METHYLTRANSFERAS
E DNRK

(Streptomyces
peucetius) 		PF00891
(Methyltransf_2) 		5 ASP A 185
GLY A 187
GLY A 189
ASP A 237
PHE A 238
 SAH  A 401 ( 4.7A)
SAH  A 401 (-3.9A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.4A)
 0.76A 6nj9K-5jr3A:
9.4		 6nj9K-5jr3A:
21.33
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.
5vbf NAD-DEPENDENT
SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
vietnamiensis) 		PF00171
(Aldedh) 		5 PRO A 237
GLY A 460
GLY A 259
GLY A 414
ASP A 386
 None
 1.03A 6nj9K-5vbfA:
5.2		 6nj9K-5vbfA:
22.86
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.
5wx3 ALKYLDIKETIDE-COA
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 351
GLY A 356
GLY A 358
ALA A 382
PHE A 231
 None
 1.09A 6nj9K-5wx3A:
undetectable		 6nj9K-5wx3A:
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.
5x2q TASTE RECEPTOR, TYPE
1, MEMBER 2A

(Oryzias latipes) 		PF01094
(ANF_receptor) 		5 PRO A 315
GLY A 290
GLY A 311
VAL A 260
ALA A 442
 None
 1.02A 6nj9K-5x2qA:
4.4		 6nj9K-5x2qA:
21.29
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.
5xoh BERGAPTOL
O-METHYLTRANSFERASE

(Peucedanum
praeruptorum) 		no annotation 5 ASP A 201
GLY A 203
GLY A 205
ASP A 246
PHE A 258
 SAH  A 401 ( 4.5A)
SAH  A 401 (-3.4A)
SAH  A 401 ( 3.7A)
SAH  A 401 (-3.7A)
None
 0.87A 6nj9K-5xohA:
7.7		 6nj9K-5xohA:
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.
5y8p PROBABLE
3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		no annotation 5 PRO A  34
GLY A   8
GLY A  29
VAL A  55
ALA A  41
 None
 1.01A 6nj9K-5y8pA:
3.4		 6nj9K-5y8pA:
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.
6c5b METHYLTRANSFERASE

(Lysobacter
antibioticus) 		no annotation 5 ASP A 180
GLY A 182
GLY A 184
ASP A 232
PHE A 233
 FMT  A 502 (-2.6A)
SAH  A 501 (-4.0A)
SAH  A 501 (-3.3A)
SAH  A 501 (-3.5A)
SAH  A 501 (-3.5A)
 0.79A 6nj9K-6c5bA:
8.5		 6nj9K-6c5bA:
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.
6f49 -

(-) 		no annotation 5 GLY A  99
GLY A 112
VAL A 164
ASP A 197
PHE A 190
 None
 1.05A 6nj9K-6f49A:
undetectable		 6nj9K-6f49A:
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.
6f5z 24-STEROL
C-METHYLTRANSFERASE

(Haloferax
volcanii) 		no annotation 5 ASP A  44
GLY A  46
GLY A  48
ASP A  93
PHE A  94
 None
SAH  A 301 (-3.5A)
SAH  A 301 ( 3.7A)
SAH  A 301 (-3.8A)
SAH  A 301 (-3.5A)
 0.92A 6nj9K-6f5zA:
10.0		 6nj9K-6f5zA:
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.
6f5z 24-STEROL
C-METHYLTRANSFERASE

(Haloferax
volcanii) 		no annotation 5 GLY A  50
GLY A  67
VAL A  42
ASP A  93
PHE A  94
 None
None
None
SAH  A 301 (-3.8A)
SAH  A 301 (-3.5A)
 1.06A 6nj9K-6f5zA:
10.0		 6nj9K-6f5zA:
undetectable