SIMILAR PATTERNS OF AMINO ACIDS FOR 1N6C_A_SAMA402

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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa)
PF00128
(Alpha-amylase)
PF02922
(CBM_48)
5 GLY A 188
GLU A 191
ASN A 232
HIS A 509
GLU A 183
None
None
CA  A 751 (-3.0A)
None
None
1.50A 1n6cA-1bf2A:
undetectable
1n6cA-1bf2A:
18.59
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.
1br2 MYOSIN

(Gallus gallus)
PF00063
(Myosin_head)
PF02736
(Myosin_N)
5 ILE A 686
ALA A 181
GLY A 182
GLU A 185
ASN A 236
None
ADP  A 998 ( 4.5A)
ADP  A 998 (-3.3A)
ADP  A 998 (-4.7A)
None
1.07A 1n6cA-1br2A:
undetectable
1n6cA-1br2A:
17.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g8x MYOSIN II HEAVY
CHAIN FUSED TO
ALPHA-ACTININ 3


(Dictyostelium
discoideum)
PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N)
5 ILE A 657
ALA A 183
GLY A 184
GLU A 187
ASN A 227
None
ADP  A1100 (-4.1A)
ADP  A1100 (-3.2A)
ADP  A1100 (-4.6A)
None
1.02A 1n6cA-1g8xA:
0.0
1n6cA-1g8xA:
14.61
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.
1gao FERREDOXIN I

(Azotobacter
vinelandii)
PF00037
(Fer4)
PF11953
(DUF3470)
5 ILE A   9
GLY A  28
GLU A  27
ASN A  30
HIS A 103
None
1.43A 1n6cA-1gaoA:
undetectable
1n6cA-1gaoA:
14.81
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.
1itz TRANSKETOLASE

(Zea mays)
PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
5 ILE A  23
ALA A  46
GLY A  44
ASN A 230
TYR A 235
None
1.35A 1n6cA-1itzA:
undetectable
1n6cA-1itzA:
19.46
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.
1jx2 MYOSIN-2 HEAVY
CHAIN,DYNAMIN-A


(Dictyostelium
discoideum)
PF00063
(Myosin_head)
PF02736
(Myosin_N)
5 ILE A 668
ALA A 194
GLY A 195
GLU A 198
ASN A 238
None
ADP  A1203 (-4.3A)
ADP  A1203 (-3.1A)
ADP  A1203 (-4.1A)
None
1.10A 1n6cA-1jx2A:
undetectable
1n6cA-1jx2A:
15.76
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.
1ka9 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE


(Thermus
thermophilus)
PF00977
(His_biosynth)
5 ILE F 114
ALA F 166
GLY F 167
GLU F 168
LYS F 100
None
1.32A 1n6cA-1ka9F:
undetectable
1n6cA-1ka9F:
21.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mt6 SET9

(Homo sapiens)
PF00856
(SET)
PF02493
(MORN)
9 ILE A 223
ALA A 226
GLY A 227
GLU A 228
ASN A 265
LYS A 294
ASN A 296
HIS A 297
TYR A 335
SAH  A   1 ( 4.5A)
SAH  A   1 (-3.8A)
SAH  A   1 ( 4.0A)
None
SAH  A   1 (-3.6A)
SAH  A   1 (-2.6A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.4A)
0.37A 1n6cA-1mt6A:
37.6
1n6cA-1mt6A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ox4 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
HISHF


(Saccharomyces
cerevisiae)
PF00117
(GATase)
PF00977
(His_biosynth)
5 ILE B 387
ALA B 463
GLY B 464
GLU B 465
LYS B 360
None
1.37A 1n6cA-1ox4B:
undetectable
1n6cA-1ox4B:
20.15
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.
1pvd PYRUVATE
DECARBOXYLASE


(Saccharomyces
cerevisiae)
PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
5 ILE A 132
ALA A  86
GLY A  87
GLU A  91
HIS A  97
None
1.42A 1n6cA-1pvdA:
undetectable
1n6cA-1pvdA:
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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae)
PF00204
(DNA_gyraseB)
PF02518
(HATPase_c)
5 ILE A  67
ALA A 146
GLY A 145
ASN A 129
ASN A  70
None
ANP  A 901 (-3.3A)
ANP  A 901 (-3.5A)
ANP  A 901 (-4.0A)
MG  A 903 ( 2.6A)
1.31A 1n6cA-1pvgA:
undetectable
1n6cA-1pvgA:
20.14
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.
1q25 CATION-INDEPENDENT
MANNOSE 6-PHOSPHATE
RECEPTOR


(Bos taurus)
PF00878
(CIMR)
5 ALA A 157
GLY A 156
GLU A 178
ASN A 172
TYR A 226
None
1.50A 1n6cA-1q25A:
2.8
1n6cA-1q25A:
19.11
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.
1qhg ATP-DEPENDENT
HELICASE PCRA


(Geobacillus
stearothermophilus)
PF00580
(UvrD-helicase)
PF13361
(UvrD_C)
5 ALA A  33
GLY A  32
GLU A 283
ASN A  13
GLU A 571
None
None
None
None
ATP  A 726 ( 3.8A)
1.27A 1n6cA-1qhgA:
undetectable
1n6cA-1qhgA:
17.08
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.
1qhh PROTEIN (PCRA
(SUBUNIT))
PROTEIN (PCRA
(SUBUNIT))
PROTEIN (PCRA
(SUBUNIT))


(Geobacillus
stearothermophilus;
Geobacillus
stearothermophilus;
Geobacillus
stearothermophilus)
PF00580
(UvrD-helicase)
PF00580
(UvrD-helicase)
PF13361
(UvrD_C)
PF13361
(UvrD_C)
5 ALA A  33
GLY A  32
GLU B 283
ASN A  13
GLU D 571
ATP  A 700 (-3.8A)
None
None
ATP  A 700 (-4.7A)
ATP  A 700 (-3.4A)
1.29A 1n6cA-1qhhA:
undetectable
1n6cA-1qhhA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zxn DNA TOPOISOMERASE
II, ALPHA ISOZYME


(Homo sapiens)
PF00204
(DNA_gyraseB)
PF02518
(HATPase_c)
5 ILE A  88
ALA A 167
GLY A 166
ASN A 150
ASN A  91
None
ADP  A 901 (-3.6A)
ADP  A 901 ( 3.4A)
ADP  A 901 (-3.8A)
MG  A 900 ( 2.5A)
1.27A 1n6cA-1zxnA:
undetectable
1n6cA-1zxnA:
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.
2fg1 CONSERVED
HYPOTHETICAL PROTEIN
BT1257


(Bacteroides
thetaiotaomicron)
PF01661
(Macro)
5 ALA A  49
GLU A  47
ASN A  26
ASN A  78
TRP A  53
None
1.13A 1n6cA-2fg1A:
undetectable
1n6cA-2fg1A:
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.
2gam BETA-1,6-N-ACETYLGLU
COSAMINYLTRANSFERASE


(Mus musculus)
PF02485
(Branch)
5 ALA A 324
GLY A 285
GLU A 320
ASN A 215
TYR A 295
None
None
NGA  A 502 (-2.9A)
None
None
1.39A 1n6cA-2gamA:
undetectable
1n6cA-2gamA:
22.11
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.
2vr5 GLYCOGEN OPERON
PROTEIN GLGX


(Sulfolobus
solfataricus)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48)
5 ILE A 563
ALA A 556
ASN A 500
LYS A 484
ASN A 553
None
1.30A 1n6cA-2vr5A:
undetectable
1n6cA-2vr5A:
18.05
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX


(Homo sapiens)
PF00856
(SET)
5 ILE A3838
GLY A3840
ASN A3906
HIS A3907
TYR A3944
SAH  A4971 (-4.3A)
SAH  A4971 ( 3.7A)
SAH  A4971 (-3.1A)
SAH  A4971 (-4.7A)
SAH  A4971 (-4.9A)
0.48A 1n6cA-2w5zA:
11.3
1n6cA-2w5zA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsm HYDROGENASE
EXPRESSION/FORMATION
PROTEIN (HYPB)


(Archaeoglobus
fulgidus)
PF02492
(cobW)
5 ILE A  47
ALA A  62
GLY A  61
TYR A  73
GLU A 115
None
1.40A 1n6cA-2wsmA:
undetectable
1n6cA-2wsmA:
23.03
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.
2zc8 N-ACYLAMINO ACID
RACEMASE


(Thermus
thermophilus)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
5 ALA A 264
GLY A 267
GLU A 271
TYR A  55
GLU A 293
None
1.40A 1n6cA-2zc8A:
undetectable
1n6cA-2zc8A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zpb NITRILE HYDRATASE
SUBUNIT BETA


(Rhodococcus
erythropolis)
PF02211
(NHase_beta)
5 ILE B 167
ALA B 174
GLY B 175
GLU B 176
HIS B 139
None
1.18A 1n6cA-2zpbB:
undetectable
1n6cA-2zpbB:
23.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3cbo HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7


(Homo sapiens)
PF00856
(SET)
10 ILE A 223
ALA A 226
GLY A 227
GLU A 228
ASN A 265
LYS A 294
ASN A 296
HIS A 297
TYR A 335
TRP A 352
SAH  A   1 ( 4.3A)
SAH  A   1 (-3.7A)
SAH  A   1 ( 4.0A)
SAH  A   1 (-4.9A)
SAH  A   1 (-4.0A)
SAH  A   1 (-2.7A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.9A)
SAH  A   1 (-3.9A)
0.29A 1n6cA-3cboA:
36.4
1n6cA-3cboA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cvg PUTATIVE METAL
BINDING PROTEIN


(Coccidioides
immitis)
PF12849
(PBP_like_2)
5 ILE A  97
ALA A  47
GLY A  46
LYS A  78
ASN A  44
None
1.21A 1n6cA-3cvgA:
undetectable
1n6cA-3cvgA:
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.
3fz5 POSSIBLE
2-HYDROXYCHROMENE-2-
CARBOXYLATE
ISOMERASE


(Rhodobacter
sphaeroides)
PF01323
(DSBA)
5 ILE A 168
ALA A 163
GLY A 160
GLU A 161
GLU A   5
None
1.48A 1n6cA-3fz5A:
undetectable
1n6cA-3fz5A:
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.
3gyd CYCLIC
NUCLEOTIDE-BINDING
DOMAIN


(Methylobacillus
flagellatus)
PF00027
(cNMP_binding)
5 ILE A  94
GLY A  92
GLU A  20
LYS A  24
GLU A  97
None
None
None
None
CMP  A 300 (-2.8A)
1.48A 1n6cA-3gydA:
undetectable
1n6cA-3gydA:
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.
3hcw MALTOSE OPERON
TRANSCRIPTIONAL
REPRESSOR


(Staphylococcus
aureus)
PF13377
(Peripla_BP_3)
5 ILE A 147
ALA A 306
GLY A 303
ASN A 165
HIS A 162
None
None
None
GOL  A   1 (-3.8A)
None
1.44A 1n6cA-3hcwA:
undetectable
1n6cA-3hcwA:
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.
3kgy BIFUNCTIONAL
DEAMINASE-REDUCTASE
DOMAIN PROTEIN


(Chloroflexus
aurantiacus)
PF01872
(RibD_C)
5 ILE A 146
ALA A 141
GLY A 142
GLU A 143
HIS A  80
None
1.21A 1n6cA-3kgyA:
undetectable
1n6cA-3kgyA:
22.11
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1


(Mus musculus)
PF00856
(SET)
PF01753
(zf-MYND)
5 GLY A  18
ASN A 180
ASN A 205
HIS A 206
TYR A 252
SFG  A 491 ( 4.2A)
SFG  A 491 (-4.3A)
SFG  A 491 (-3.3A)
None
SFG  A 491 (-4.8A)
0.65A 1n6cA-3n71A:
6.0
1n6cA-3n71A:
19.48
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN


(Aspergillus
nidulans)
PF01179
(Cu_amine_oxid)
PF09248
(DUF1965)
5 ALA A 117
GLY A 118
GLU A 119
ASN A 199
GLU A 456
None
1.11A 1n6cA-3pgbA:
undetectable
1n6cA-3pgbA:
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.
3pzu ENDOGLUCANASE

(Bacillus
subtilis)
PF00150
(Cellulase)
5 ALA A  94
GLY A  66
ASN A 134
HIS A 229
GLU A 165
None
1.45A 1n6cA-3pzuA:
undetectable
1n6cA-3pzuA:
23.18
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.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6


(Homo sapiens)
PF00856
(SET)
PF09273
(Rubis-subs-bind)
5 ALA A  73
GLY A  74
ASN A 251
HIS A 252
TYR A 285
SAM  A 484 (-3.3A)
SAM  A 484 (-3.4A)
SAM  A 484 (-3.1A)
None
SAM  A 484 (-4.8A)
0.82A 1n6cA-3rc0A:
6.7
1n6cA-3rc0A:
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.
3ros NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE


(Lactobacillus
acidophilus)
PF00171
(Aldedh)
5 ILE A 350
ALA A 326
GLY A 325
ASN A 354
GLU A 367
None
1.19A 1n6cA-3rosA:
undetectable
1n6cA-3rosA:
21.50
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.
3tr9 DIHYDROPTEROATE
SYNTHASE


(Coxiella
burnetii)
PF00809
(Pterin_bind)
5 ILE A  34
GLY A  69
GLU A  89
ASN A  39
HIS A  43
None
1.24A 1n6cA-3tr9A:
undetectable
1n6cA-3tr9A:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ttb EIGHT-HEME NITRITE
REDUCTASE


(Thioalkalivibrio
paradoxus)
PF02335
(Cytochrom_C552)
5 ILE A 159
ALA A 155
GLY A 154
ASN A 226
HIS A 126
None
None
None
None
HEC  A1004 (-4.4A)
1.25A 1n6cA-3ttbA:
undetectable
1n6cA-3ttbA:
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.
4c1q HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9


(Mus musculus)
PF00856
(SET)
5 ILE A 253
ALA A 256
GLY A 257
ASN A 320
TYR A 357
SAH  A 394 (-4.1A)
SAH  A 394 (-3.6A)
SAH  A 394 ( 3.7A)
SAH  A 394 (-3.4A)
None
0.24A 1n6cA-4c1qA:
7.2
1n6cA-4c1qA:
20.07
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.
4evz HISF-LUCA

(synthetic
construct)
PF00977
(His_biosynth)
5 ILE A 113
ALA A 165
GLY A 166
GLU A 167
LYS A  99
None
1.37A 1n6cA-4evzA:
undetectable
1n6cA-4evzA:
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.
4ig9 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-1


(Homo sapiens)
PF02146
(SIR2)
5 ALA A 262
GLY A 263
ASN A 342
ASN A 346
HIS A 363
None
1.10A 1n6cA-4ig9A:
undetectable
1n6cA-4ig9A:
22.01
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.
4j9j IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISF


(Thermotoga
maritima)
PF00977
(His_biosynth)
5 ILE A  17
ALA A  69
GLY A  70
GLU A  71
LYS A   3
None
1.26A 1n6cA-4j9jA:
undetectable
1n6cA-4j9jA:
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.
4j9j IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISF


(Thermotoga
maritima)
PF00977
(His_biosynth)
5 ILE A 138
ALA A 190
GLY A 191
GLU A 192
LYS A 124
None
1.33A 1n6cA-4j9jA:
undetectable
1n6cA-4j9jA:
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.
4mpt PUTATIVE
LEU/ILE/VAL-BINDING
PROTEIN


(Bordetella
pertussis)
PF13458
(Peripla_BP_6)
5 ILE A 258
ALA A 260
ASN A 309
ASN A 340
TYR A 343
None
1.40A 1n6cA-4mptA:
undetectable
1n6cA-4mptA:
23.16
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.
4n2x DL-2-HALOACID
DEHALOGENASE


(Methylobacterium
sp. CPA1)
PF10778
(DehI)
5 ILE A  63
ALA A  68
GLU A 150
ASN A 301
TYR A 115
None
1.12A 1n6cA-4n2xA:
undetectable
1n6cA-4n2xA:
23.35
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.
4o59 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE


(Bos taurus)
PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C)
5 ILE O 308
ALA O 296
GLY O 295
GLU O 275
LYS O 256
None
1.03A 1n6cA-4o59O:
undetectable
1n6cA-4o59O:
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.
4omu SHIKIMATE
DEHYDROGENASE


(Pseudomonas
putida)
PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N)
5 ALA A  81
GLY A  82
GLU A  65
ASN A  99
GLU A 136
None
1.41A 1n6cA-4omuA:
undetectable
1n6cA-4omuA:
23.10
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.
4q3r ARGINASE

(Schistosoma
mansoni)
PF00491
(Arginase)
5 ILE A 138
GLY A 140
GLU A 143
ASN A 110
GLU A 304
None
1.31A 1n6cA-4q3rA:
undetectable
1n6cA-4q3rA:
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D


(Homo sapiens)
PF00856
(SET)
5 ILE A5406
GLY A5408
ASN A5474
HIS A5475
TYR A5512
SAH  A5602 (-4.1A)
SAH  A5602 (-3.6A)
SAH  A5602 (-3.1A)
None
None
0.47A 1n6cA-4z4pA:
13.9
1n6cA-4z4pA:
22.50
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.
5a5t EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A


(Oryctolagus
cuniculus)
PF01399
(PCI)
5 ILE A 329
ALA A 325
GLU A 423
LYS A 278
HIS A 297
None
1.40A 1n6cA-5a5tA:
undetectable
1n6cA-5a5tA:
10.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e3c DIPEPTIDYL PEPTIDASE
3


(Homo sapiens)
PF03571
(Peptidase_M49)
5 ILE A 392
GLU A 507
ASN A 394
TYR A 196
GLU A 329
None
1.33A 1n6cA-5e3cA:
undetectable
1n6cA-5e3cA:
18.43
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.
5f59 HISTONE-LYSINE
N-METHYLTRANSFERASE
2C


(Homo sapiens)
PF00856
(SET)
5 ILE A4780
GLY A4782
ASN A4848
HIS A4849
TYR A4886
SAH  A5002 (-4.3A)
SAH  A5002 (-3.5A)
SAH  A5002 (-2.7A)
SAH  A5002 (-4.6A)
None
0.58A 1n6cA-5f59A:
13.5
1n6cA-5f59A:
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.
5f6l HISTONE-LYSINE
N-METHYLTRANSFERASE
2A


(Homo sapiens)
PF00856
(SET)
5 ILE A3838
GLY A3840
ASN A3906
HIS A3907
TYR A3944
SAH  A4001 (-4.3A)
SAH  A4001 (-3.4A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.9A)
SAH  A4001 (-4.9A)
0.46A 1n6cA-5f6lA:
12.6
1n6cA-5f6lA:
19.26
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.
5fqd DNA DAMAGE-BINDING
PROTEIN 1


(Homo sapiens)
PF03178
(CPSF_A)
PF10433
(MMS1_N)
5 ILE A  61
ALA A  34
GLY A  17
GLU A 312
ASN A 355
None
1.16A 1n6cA-5fqdA:
undetectable
1n6cA-5fqdA:
14.27
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.
5jbo BETA-GLUCOSIDASE

(Trichoderma
harzianum)
PF00232
(Glyco_hydro_1)
5 ILE A 302
ALA A 222
GLY A 306
GLU A 307
GLU A 150
None
1.44A 1n6cA-5jboA:
undetectable
1n6cA-5jboA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k5a PARB DOMAIN PROTEIN
NUCLEASE


(Sulfolobus
solfataricus)
PF02195
(ParBc)
5 ILE B 201
ALA B 171
GLU B 158
ASN B 202
TYR B 226
None
1.08A 1n6cA-5k5aB:
undetectable
1n6cA-5k5aB:
23.84
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2


(Homo sapiens)
PF00856
(SET)
PF01753
(zf-MYND)
5 GLY A  18
ASN A 182
ASN A 206
HIS A 207
TYR A 240
SAM  A 501 ( 4.1A)
SAM  A 501 ( 3.8A)
SAM  A 501 (-3.2A)
None
6TM  A 502 ( 3.6A)
0.40A 1n6cA-5kjmA:
6.7
1n6cA-5kjmA:
21.04
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.
5nqf APICAL MEMBRANE
ANTIGEN 1


(Plasmodium
falciparum)
PF02430
(AMA-1)
5 ILE A 127
ALA A 346
GLY A 394
GLU A 120
ASN A 398
ILE  A 127 ( 0.7A)
ALA  A 346 ( 0.0A)
GLY  A 394 ( 0.0A)
GLU  A 120 ( 0.5A)
ASN  A 398 ( 0.6A)
1.15A 1n6cA-5nqfA:
undetectable
1n6cA-5nqfA:
20.79
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A


(Methanothermococcus
thermolithotrophicus)
PF07992
(Pyr_redox_2)
PF13187
(Fer4_9)
5 ILE A 241
GLU A 295
LYS A 290
TYR A 217
GLU A 243
SF4  A 703 ( 4.6A)
None
None
None
None
1.42A 1n6cA-5odrA:
undetectable
1n6cA-5odrA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5teg N-LYSINE
METHYLTRANSFERASE
KMT5A


(Homo sapiens)
PF00856
(SET)
5 GLY A 227
ASN A 298
HIS A 299
TYR A 336
TRP A 349
SAM  A 401 ( 4.0A)
SAM  A 401 (-3.2A)
None
SAM  A 401 (-4.8A)
SAM  A 401 (-3.7A)
0.80A 1n6cA-5tegA:
12.8
1n6cA-5tegA:
22.45
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.
5u8q INSULIN-LIKE GROWTH
FACTOR 1 RECEPTOR


(Homo sapiens)
no annotation 5 ALA A 801
GLY A 800
GLU A 799
ASN A 883
ASN A 829
None
None
None
NAG  A1013 (-1.8A)
None
1.06A 1n6cA-5u8qA:
undetectable
1n6cA-5u8qA:
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.
5vip MDCD

(Pseudomonas
aeruginosa)
PF01039
(Carboxyl_trans)
5 ILE B 153
ALA B 179
GLY B 212
LYS B 209
GLU B 117
None
1.40A 1n6cA-5vipB:
undetectable
1n6cA-5vipB:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w2m DNA DC->DU-EDITING
ENZYME APOBEC-3F


(Homo sapiens)
no annotation 5 ALA A 284
GLY A 317
GLU A 316
HIS A 249
GLU A 251
None
None
None
ZN  A 801 (-3.9A)
None
1.40A 1n6cA-5w2mA:
undetectable
1n6cA-5w2mA:
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.
5xxg -

(-)
no annotation 5 GLY A  15
ASN A 181
ASN A 205
HIS A 206
TYR A 239
SAM  A 502 ( 3.9A)
SAM  A 502 ( 4.1A)
SAM  A 502 (-3.1A)
None
8HR  A 501 ( 4.0A)
0.41A 1n6cA-5xxgA:
6.8
1n6cA-5xxgA:
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.
5zya SPLICING FACTOR 3B
SUBUNIT 1


(Homo sapiens)
no annotation 5 ALA C 841
GLY C 845
GLU C 848
LYS C 807
GLU C 839
None
1.39A 1n6cA-5zyaC:
undetectable
1n6cA-5zyaC:
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.
6c7v -

(-)
no annotation 5 ILE A 113
ALA A 165
GLY A 166
GLU A 167
LYS A  99
None
1.27A 1n6cA-6c7vA:
undetectable
1n6cA-6c7vA:
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.
6f79 -

(-)
no annotation 5 ALA A  70
GLY A 116
GLU A 117
ASN A 112
HIS A  68
None
1.48A 1n6cA-6f79A:
undetectable
1n6cA-6f79A:
undetectable