SIMILAR PATTERNS OF AMINO ACIDS FOR 5AYF_A_SAMA401_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.
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
 1.04A 5ayfA-1br2A:
undetectable		 5ayfA-1br2A:
15.93
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.
1c2y PROTEIN (LUMAZINE
SYNTHASE)

(Spinacia
oleracea) 		PF00885
(DMRL_synthase) 		5 ALA A 137
GLY A  34
GLU A  33
GLY A  79
ASN A 134
 None
None
None
LMZ  A 201 ( 4.9A)
None
 1.17A 5ayfA-1c2yA:
undetectable		 5ayfA-1c2yA:
21.11
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.
1d2k CHITINASE 1

(Coccidioides
immitis) 		PF00704
(Glyco_hydro_18) 		5 ALA A 360
GLY A 361
GLU A 365
GLY A 374
TRP A 377
 None
 1.24A 5ayfA-1d2kA:
undetectable		 5ayfA-1d2kA:
20.34
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.99A 5ayfA-1g8xA:
undetectable		 5ayfA-1g8xA:
13.78
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.
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
 1.07A 5ayfA-1jx2A:
undetectable		 5ayfA-1jx2A:
13.28
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.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 ALA A 176
GLY A 239
GLY A 258
ASN A 261
TRP A 243
 PQQ  A 701 (-2.8A)
None
None
CA  A 702 (-3.1A)
PQQ  A 701 (-3.7A)
 1.29A 5ayfA-1lrwA:
undetectable		 5ayfA-1lrwA:
17.76
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) 		10 ILE A 223
ALA A 226
GLY A 227
GLU A 228
GLY A 264
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 ( 4.1A)
SAH  A   1 (-3.6A)
SAH  A   1 (-2.6A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.4A)
 0.37A 5ayfA-1mt6A:
32.7		 5ayfA-1mt6A:
77.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 ALA A 613
GLY A1217
GLY A 868
ASN A 908
HIS A 665
 None
 1.19A 5ayfA-1n5xA:
undetectable		 5ayfA-1n5xA:
12.14
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.
1p0c NADP-DEPENDENT
ALCOHOL
DEHYDROGENASE

(Pelophylax
perezi) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A1090
GLY A1323
GLU A1324
GLY A1180
ASN A1184
 None
 1.24A 5ayfA-1p0cA:
undetectable		 5ayfA-1p0cA:
22.87
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.
1r9j TRANSKETOLASE

(Leishmania
mexicana) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A  11
ALA A  34
GLY A  32
ASN A 217
TYR A 222
 None
 1.27A 5ayfA-1r9jA:
undetectable		 5ayfA-1r9jA:
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.
1s0u TRANSLATION
INITIATION FACTOR 2
GAMMA SUBUNIT

(Methanocaldococcus
jannaschii) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF09173
(eIF2_C) 		5 ILE A  75
ALA A 131
GLY A 130
GLY A 315
TYR A  79
 None
 1.15A 5ayfA-1s0uA:
undetectable		 5ayfA-1s0uA:
20.72
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.
1t90 PROBABLE
METHYLMALONATE-SEMIA
LDEHYDE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00171
(Aldedh) 		5 ILE A 429
ALA A 431
GLY A 432
GLY A 252
HIS A 256
 None
None
None
NAD  A1490 (-3.4A)
None
 1.19A 5ayfA-1t90A:
undetectable		 5ayfA-1t90A:
17.47
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.
1v4v UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Thermus
thermophilus) 		PF02350
(Epimerase_2) 		5 ILE A 313
ALA A 290
GLY A 289
GLU A 288
GLY A 351
 None
None
None
GOL  A1500 (-4.9A)
None
 1.13A 5ayfA-1v4vA:
undetectable		 5ayfA-1v4vA:
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.
1vjo ALANINE--GLYOXYLATE
AMINOTRANSFERASE

(Nostoc sp. PCC
7120) 		PF00266
(Aminotran_5) 		5 ALA A 162
GLY A 131
GLU A 132
GLY A 103
HIS A 155
 None
 1.28A 5ayfA-1vjoA:
undetectable		 5ayfA-1vjoA:
20.10
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.
1w5e FTSZ

(Methanocaldococcus
jannaschii) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ILE A 251
ALA A 218
GLU A 213
GLY A  49
ASN A  51
 None
None
None
None
GTP  A 500 ( 4.2A)
 1.12A 5ayfA-1w5eA:
undetectable		 5ayfA-1w5eA:
21.00
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.
1wa5 IMPORTIN ALPHA
RE-EXPORTER

(Saccharomyces
cerevisiae) 		PF03378
(CAS_CSE1)
PF03810
(IBN_N)
PF08506
(Cse1) 		5 ILE C  90
GLY C 106
GLU C 107
GLY C  57
LYS C  62
 None
 1.23A 5ayfA-1wa5C:
undetectable		 5ayfA-1wa5C:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wmw GERANYLGERANYL
DIPHOSPHATE
SYNTHETASE

(Thermus
thermophilus) 		PF00348
(polyprenyl_synt) 		5 ILE A  81
GLY A  84
GLU A  86
GLY A 224
TYR A  34
 None
 1.16A 5ayfA-1wmwA:
undetectable		 5ayfA-1wmwA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.29A 5ayfA-1zxnA:
undetectable		 5ayfA-1zxnA:
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.
2cu2 PUTATIVE
MANNOSE-1-PHOSPHATE
GUANYLYL TRANSFERASE

(Thermus
thermophilus) 		PF00483
(NTP_transferase) 		5 GLU A 263
GLY A 257
ASN A 258
TYR A 148
TRP A 253
 None
 1.27A 5ayfA-2cu2A:
undetectable		 5ayfA-2cu2A:
20.54
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.
2e5a LIPOYLTRANSFERASE 1

(Bos taurus) 		no annotation 5 ALA A 206
GLU A 208
GLY A   5
ASN A 217
HIS A 218
 None
None
None
None
PO4  A4001 ( 4.9A)
 1.22A 5ayfA-2e5aA:
undetectable		 5ayfA-2e5aA:
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.
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
 1.18A 5ayfA-2fg1A:
undetectable		 5ayfA-2fg1A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ggs 273AA LONG
HYPOTHETICAL
DTDP-4-DEHYDRORHAMNO
SE REDUCTASE

(Sulfurisphaera
tokodaii) 		PF04321
(RmlD_sub_bind) 		5 ALA A 208
GLY A 209
GLU A 210
GLY A 116
ASN A 117
 None
 1.08A 5ayfA-2ggsA:
undetectable		 5ayfA-2ggsA:
20.27
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.
2jh9 VP4 CORE PROTEIN

(Bluetongue
virus) 		PF05059
(Orbi_VP4) 		5 ILE A 196
GLY A 289
GLU A 290
GLY A 297
HIS A 194
 None
 1.00A 5ayfA-2jh9A:
undetectable		 5ayfA-2jh9A:
17.54
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.
2pgw MUCONATE
CYCLOISOMERASE

(Sinorhizobium
meliloti) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A  39
ALA A 112
GLY A  49
GLU A  50
GLY A 276
 None
 1.17A 5ayfA-2pgwA:
undetectable		 5ayfA-2pgwA:
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.
2put ISOMERASE DOMAIN OF
GLUTAMINE-FRUCTOSE-6
-PHOSPHATE
TRANSAMINASE
(ISOMERIZING)

(Candida
albicans) 		PF01380
(SIS) 		5 ILE A 493
ALA A 495
GLY A 496
GLY A 500
ASN A 477
 None
 0.91A 5ayfA-2putA:
undetectable		 5ayfA-2putA:
18.93
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A  39
ALA A 109
GLY A  49
GLU A  50
GLY A 278
 None
 1.14A 5ayfA-2qgyA:
undetectable		 5ayfA-2qgyA:
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.
2qh9 UPF0215 PROTEIN
AF_1433

(Archaeoglobus
fulgidus) 		PF01949
(DUF99) 		5 ILE A  70
ALA A 124
GLY A 125
GLU A 126
GLY A 139
 None
 0.93A 5ayfA-2qh9A:
undetectable		 5ayfA-2qh9A:
22.59
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A  60
GLU A  58
GLY A 424
ASN A 425
ASN A 374
 None
 1.07A 5ayfA-2qo3A:
undetectable		 5ayfA-2qo3A:
13.32
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.
2vp1 PERIPLASMIC
IRON-BINDING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		5 ALA A  76
GLY A  75
GLU A  74
GLY A  98
ASN A 271
 None
 1.09A 5ayfA-2vp1A:
undetectable		 5ayfA-2vp1A:
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.
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
 1.26A 5ayfA-2vr5A:
undetectable		 5ayfA-2vr5A:
16.43
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.
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)
 0.44A 5ayfA-2w5zA:
11.6		 5ayfA-2w5zA:
22.30
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.
2xmr PROTEIN NDRG2

(Homo sapiens) 		PF03096
(Ndr) 		5 ILE A 155
GLY A 248
GLU A 254
GLY A 185
ASN A 156
 None
 1.08A 5ayfA-2xmrA:
undetectable		 5ayfA-2xmrA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z1n DEHYDROGENASE

(Aeropyrum
pernix) 		PF13561
(adh_short_C2) 		5 ILE A 247
ALA A 250
GLY A 249
GLY A 143
ASN A 183
 None
 1.12A 5ayfA-2z1nA:
undetectable		 5ayfA-2z1nA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zhp BLEOMYCIN RESISTANCE
PROTEIN

(Streptoalloteichus
hindustanus) 		no annotation 5 ILE A  50
ALA A  19
GLY A  18
GLU A  21
GLY A  91
 None
 1.15A 5ayfA-2zhpA:
undetectable		 5ayfA-2zhpA:
14.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zj4 GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING] 1

(Homo sapiens) 		PF01380
(SIS) 		5 ILE A 463
ALA A 465
GLY A 466
GLY A 470
ASN A 447
 None
 0.84A 5ayfA-2zj4A:
undetectable		 5ayfA-2zj4A:
20.74
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.
2zpb NITRILE HYDRATASE
SUBUNIT BETA

(Rhodococcus
erythropolis) 		PF02211
(NHase_beta) 		5 ILE B 167
ALA B 174
GLY B 175
GLU B 176
GLY B 206
 None
 0.88A 5ayfA-2zpbB:
undetectable		 5ayfA-2zpbB:
22.18
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.
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
 1.16A 5ayfA-2zpbB:
undetectable		 5ayfA-2zpbB:
22.18
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.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 5 ILE A 410
GLU A  47
GLY A 368
ASN A 367
ASN A 430
 None
 1.29A 5ayfA-3a0fA:
undetectable		 5ayfA-3a0fA:
15.42
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)
 0.55A 5ayfA-3cboA:
38.2		 5ayfA-3cboA:
94.92
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
GLY A 264
ASN A 265
LYS A 294
ASN A 296
HIS A 297
TYR A 335
 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 (-4.0A)
SAH  A   1 (-2.7A)
SAH  A   1 (-3.3A)
None
SAH  A   1 (-4.9A)
 0.23A 5ayfA-3cboA:
38.2		 5ayfA-3cboA:
94.92
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.
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
 1.17A 5ayfA-3cvgA:
undetectable		 5ayfA-3cvgA:
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.
3ezj GENERAL SECRETION
PATHWAY PROTEIN GSPD

(Escherichia
coli) 		PF03958
(Secretin_N) 		5 ILE A 126
ALA A 129
GLY A 130
GLY A 100
ASN A 133
 None
PO4  A 238 (-4.1A)
None
None
None
 0.84A 5ayfA-3ezjA:
undetectable		 5ayfA-3ezjA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hig AMILORIDE-SENSITIVE
AMINE OXIDASE

(Homo sapiens) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 ILE A 202
ALA A 365
GLY A 366
GLY A 191
LYS A 370
 None
 1.25A 5ayfA-3higA:
undetectable		 5ayfA-3higA:
14.87
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.
3iuk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF05960
(DUF885) 		5 ILE A 114
ALA A 142
GLY A 141
GLU A 144
GLY A  52
 None
 1.14A 5ayfA-3iukA:
undetectable		 5ayfA-3iukA:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 ILE A 580
ALA A 563
GLY A 562
GLY A 372
ASN A 584
 None
 1.07A 5ayfA-3k1jA:
undetectable		 5ayfA-3k1jA:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.22A 5ayfA-3kgyA:
undetectable		 5ayfA-3kgyA:
22.10
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.
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)
 0.61A 5ayfA-3n71A:
6.3		 5ayfA-3n71A:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nib TEG14

(uncultured soil
bacterium) 		PF00685
(Sulfotransfer_1) 		5 ILE A  95
GLY A 125
GLU A 124
GLY A 136
HIS A  67
 None
 1.07A 5ayfA-3nibA:
undetectable		 5ayfA-3nibA:
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.
3r1w CARBONIC ANHYDRASE

(unidentified) 		PF00132
(Hexapep) 		5 ILE A 119
ALA A 123
GLY A 140
GLY A  85
ASN A  82
 None
 1.15A 5ayfA-3r1wA:
undetectable		 5ayfA-3r1wA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.83A 5ayfA-3rc0A:
6.5		 5ayfA-3rc0A:
19.21
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.
3sgz HYDROXYACID OXIDASE
2

(Rattus
norvegicus) 		PF01070
(FMN_dh) 		5 ILE A  24
GLY A  26
GLU A  27
GLY A 279
ASN A  37
 FMN  A 401 (-4.7A)
None
None
FMN  A 401 (-3.4A)
None
 1.11A 5ayfA-3sgzA:
undetectable		 5ayfA-3sgzA:
19.10
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.
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
 1.21A 5ayfA-3tr9A:
undetectable		 5ayfA-3tr9A:
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.
3ue3 SEPTUM FORMATION,
PENICILLIN BINDING
PROTEIN 3,
PEPTIDOGLYCAN
SYNTHETASE

(Acinetobacter
sp. ATCC 27244) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ILE A 206
GLY A 218
GLU A 217
GLY A 213
ASN A 210
 None
 1.20A 5ayfA-3ue3A:
undetectable		 5ayfA-3ue3A:
18.26
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ALA A 884
GLY A 885
GLY A  92
LYS A 892
TYR A 900
 None
 1.18A 5ayfA-3v8xA:
undetectable		 5ayfA-3v8xA:
15.06
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.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 ILE A 230
ALA A 233
GLY A 232
GLY A 137
ASN A 178
 None
 1.07A 5ayfA-3wtbA:
undetectable		 5ayfA-3wtbA:
22.78
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.
4apm APICAL MEMBRANE
ANTIGEN 1

(Babesia
divergens) 		PF02430
(AMA-1) 		5 ILE A 248
ALA A 220
GLY A 221
GLU A 218
GLY A 136
 None
None
MPD  A1521 (-4.0A)
None
None
 1.29A 5ayfA-4apmA:
undetectable		 5ayfA-4apmA:
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.
4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE

(Mus musculus) 		PF02423
(OCD_Mu_crystall) 		5 ILE A 200
ALA A 197
GLY A 196
GLY A 134
HIS A 221
 None
 1.18A 5ayfA-4bvaA:
undetectable		 5ayfA-4bvaA:
19.10
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.
4c1q HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9

(Mus musculus) 		PF00856
(SET) 		6 ILE A 253
ALA A 256
GLY A 257
GLY A 290
ASN A 320
TYR A 357
 SAH  A 394 (-4.1A)
SAH  A 394 (-3.6A)
SAH  A 394 ( 3.7A)
None
SAH  A 394 (-3.4A)
None
 0.40A 5ayfA-4c1qA:
10.2		 5ayfA-4c1qA:
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ILE A 309
ALA A 304
GLU A 306
GLY A 121
TYR A 170
 None
 1.14A 5ayfA-4hv4A:
undetectable		 5ayfA-4hv4A:
19.35
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.
4i98 SEGREGATION AND
CONDENSATION PROTEIN
B

(Streptococcus
pneumoniae) 		PF04079
(SMC_ScpB) 		5 ILE B  19
ALA B  14
GLY B  15
GLU B  16
GLY B 114
 None
 0.76A 5ayfA-4i98B:
undetectable		 5ayfA-4i98B:
21.13
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.
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 5ayfA-4ig9A:
undetectable		 5ayfA-4ig9A:
20.33
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.
4ijd HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9

(Homo sapiens) 		PF00856
(SET) 		5 ILE A 253
ALA A 256
GLY A 257
GLY A 290
ASN A 320
 None
 0.67A 5ayfA-4ijdA:
8.7		 5ayfA-4ijdA:
21.77
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.
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 5ayfA-4j9jA:
undetectable		 5ayfA-4j9jA:
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.
4jig DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 ALA A 121
GLY A 120
GLY A  14
ASN A  37
ASN A  91
 None
None
ACT  A 301 ( 4.8A)
None
None
 1.26A 5ayfA-4jigA:
undetectable		 5ayfA-4jigA:
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.
4kmg CYTOCHROME C6
(SOLUBLE CYTOCHROME
F) (CYTOCHROME C553)

(Synechococcus
sp. WH 8102) 		PF13442
(Cytochrome_CBB3) 		5 ILE A  47
ALA A  74
GLY A  75
GLY A  11
HIS A  18
 HEM  A 101 ( 4.3A)
None
None
None
HEM  A 101 (-3.2A)
 1.23A 5ayfA-4kmgA:
undetectable		 5ayfA-4kmgA:
16.73
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.
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 5ayfA-4n2xA:
undetectable		 5ayfA-4n2xA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 5ayfA-4o59O:
undetectable		 5ayfA-4o59O:
19.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pf1 PEPTIDASE
S15/COCE/NOND

(Thaumarchaeota
archaeon SCGC
AB-539-E09) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 ILE A 622
ALA A 482
GLY A 483
GLY A 321
HIS A 383
 None
 0.98A 5ayfA-4pf1A:
undetectable		 5ayfA-4pf1A:
16.19
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.
4qdi UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Acinetobacter
baumannii) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 175
GLY A 174
GLU A 172
GLY A 199
ASN A 197
 None
None
MG  A 503 (-2.7A)
None
ATP  A 501 (-4.5A)
 1.07A 5ayfA-4qdiA:
undetectable		 5ayfA-4qdiA:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 5 ALA B 204
GLY B 267
GLY B 286
ASN B 289
TRP B 271
 PQQ  B 702 (-3.0A)
None
None
CA  B 701 ( 2.8A)
PQQ  B 702 (-3.5A)
 1.27A 5ayfA-4tqoB:
undetectable		 5ayfA-4tqoB:
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.
4wgx MOLINATE HYDROLASE

(Gulosibacter
molinativorax) 		PF01979
(Amidohydro_1) 		5 ILE A   5
GLY A 414
GLU A 439
GLY A 106
HIS A 435
 None
 1.00A 5ayfA-4wgxA:
undetectable		 5ayfA-4wgxA:
19.58
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.
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
 0.42A 5ayfA-4z4pA:
13.4		 5ayfA-4z4pA:
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.
4z4p HISTONE-LYSINE
N-METHYLTRANSFERASE
2D

(Homo sapiens) 		PF00856
(SET) 		5 ILE A5406
GLY A5408
GLY A5538
ASN A5474
TYR A5512
 SAH  A5602 (-4.1A)
SAH  A5602 (-3.6A)
SAH  A5602 ( 4.2A)
SAH  A5602 (-3.1A)
None
 1.19A 5ayfA-4z4pA:
13.4		 5ayfA-4z4pA:
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 ILE A 707
ALA A 634
GLY A 636
GLY A 236
TYR A 238
 None
 1.18A 5ayfA-4zr5A:
undetectable		 5ayfA-4zr5A:
16.26
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.
4zxi TYROCIDINE
SYNTHETASE 3

(Acinetobacter
baumannii) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 ALA A1190
GLY A1193
GLY A1293
ASN A1303
HIS A1295
 None
 1.27A 5ayfA-4zxiA:
undetectable		 5ayfA-4zxiA:
11.81
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.
5a5u EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT I

(Oryctolagus
cuniculus) 		PF00400
(WD40) 		5 ALA I 170
GLY I 171
GLY I 120
ASN I 114
HIS I 150
 None
 1.27A 5ayfA-5a5uI:
undetectable		 5ayfA-5a5uI:
21.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cqb DITRANS,POLYCIS-UNDE
CAPRENYL-DIPHOSPHATE
SYNTHASE
((2E,6E)-FARNESYL-DI
PHOSPHATE SPECIFIC)

(Escherichia
coli) 		PF01255
(Prenyltransf) 		5 ILE A 193
ALA A 232
GLY A 231
GLU A 230
GLY A  17
 None
 1.03A 5ayfA-5cqbA:
undetectable		 5ayfA-5cqbA:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dot CARBAMOYL-PHOSPHATE
SYNTHASE [AMMONIA],
MITOCHONDRIAL

(Homo sapiens) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain)
PF02142
(MGS)
PF02786
(CPSase_L_D2)
PF02787
(CPSase_L_D3) 		5 ILE A 466
ALA A1336
GLU A 991
GLY A 432
ASN A 465
 None
 1.22A 5ayfA-5dotA:
undetectable		 5ayfA-5dotA:
10.35
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.
5e3b MACRODOMAIN PROTEIN

(Streptomyces
coelicolor) 		no annotation 5 ALA A  50
GLU A  48
ASN A  27
ASN A  81
TRP A  54
 None
None
EDO  A1002 ( 4.6A)
None
None
 1.12A 5ayfA-5e3bA:
undetectable		 5ayfA-5e3bA:
23.44
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF01855
(POR_N)
PF17147
(PFOR_II) 		5 ILE A 391
ALA A 356
GLY A 357
GLU A 120
GLY A 268
 None
 1.28A 5ayfA-5exeA:
undetectable		 5ayfA-5exeA:
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.
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
 0.54A 5ayfA-5f59A:
13.7		 5ayfA-5f59A:
19.64
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.
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)
 0.43A 5ayfA-5f6lA:
12.8		 5ayfA-5f6lA:
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.
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
 1.17A 5ayfA-5fqdA:
undetectable		 5ayfA-5fqdA:
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 ILE A 281
ALA A 557
GLY A 556
GLU A 555
GLY A 447
 None
 1.29A 5ayfA-5j84A:
undetectable		 5ayfA-5j84A:
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.
5k2m RIMK-RELATED LYSINE
BIOSYNTHESIS PROTEIN

(Thermococcus
kodakarensis) 		PF08443
(RimK) 		5 ILE A  17
ALA A 260
GLY A 261
GLU A 265
GLY A 183
 None
 1.16A 5ayfA-5k2mA:
undetectable		 5ayfA-5k2mA:
20.47
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.
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
 1.09A 5ayfA-5k5aB:
undetectable		 5ayfA-5k5aB:
22.47
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.
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)
 0.35A 5ayfA-5kjmA:
6.6		 5ayfA-5kjmA:
19.86
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea) 		no annotation 5 ALA A 496
GLY A 435
GLU A 519
GLY A 486
ASN A 485
 None
 1.29A 5ayfA-5m6gA:
undetectable		 5ayfA-5m6gA:
18.03
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.
5odo ISOMERASE

(Rhodococcus
erythropolis) 		no annotation 5 ILE A 166
ALA A 199
GLU A 201
ASN A 207
TRP A 171
 None
 1.26A 5ayfA-5odoA:
undetectable		 5ayfA-5odoA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.49A 5ayfA-5tegA:
12.7		 5ayfA-5tegA:
20.93
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.
5v2i GLYCOSYLASPARAGINASE

(Elizabethkingia
meningoseptica) 		PF01112
(Asparaginase_2) 		5 ILE A  89
ALA A 167
GLY A 166
GLY A  14
ASN A  18
 None
 1.14A 5ayfA-5v2iA:
undetectable		 5ayfA-5v2iA:
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.
5vn6 TAURINE DIOXYGENASE

(Burkholderia
ambifaria) 		PF02668
(TauD) 		5 ALA A 274
GLY A 275
GLU A  65
GLY A  71
HIS A  76
 None
 1.00A 5ayfA-5vn6A:
undetectable		 5ayfA-5vn6A:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wva SHORT-CHAIN
DEHYDROGENASE

(Serratia
marcescens) 		no annotation 5 ILE A 236
ALA A 239
GLY A 238
GLY A 143
ASN A 184
 None
 1.18A 5ayfA-5wvaA:
undetectable		 5ayfA-5wvaA:
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.
5xm3 GLUCOSE
DEHYDROGENASE

(Methylophaga
aminisulfidivorans) 		no annotation 5 ALA A 207
GLY A 270
GLY A 289
ASN A 292
TRP A 274
 PQQ  A 701 (-3.0A)
None
None
MG  A 702 ( 3.0A)
PQQ  A 701 (-3.4A)
 1.28A 5ayfA-5xm3A:
undetectable		 5ayfA-5xm3A:
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)
 0.36A 5ayfA-5xxgA:
6.9		 5ayfA-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.
6b3p AMY13K

([Eubacterium]
rectale) 		no annotation 5 ILE A 197
ALA A 205
GLY A 206
GLU A 207
GLY A 243
 None
None
None
None
FMT  A 417 (-3.0A)
 1.07A 5ayfA-6b3pA:
undetectable		 5ayfA-6b3pA:
19.70
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT C''
V-TYPE PROTON ATPASE
SUBUNIT C'

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		5 ILE C  81
ALA C 168
GLY C 167
GLU C 188
GLY D  44
 None
 1.24A 5ayfA-6c6lC:
undetectable		 5ayfA-6c6lC:
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 5ayfA-6c7vA:
undetectable		 5ayfA-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.
6cxd PEPTIDASE B

(Yersinia pestis) 		no annotation 5 ILE A 115
ALA A 414
GLY A 413
GLY A  84
ASN A 116
 None
 1.00A 5ayfA-6cxdA:
undetectable		 5ayfA-6cxdA:
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.
6gmb HYDROXYACID OXIDASE
1

(Homo sapiens) 		no annotation 5 ILE A 278
ALA A 244
GLU A 283
GLY A 251
LYS A 285
 None
 1.23A 5ayfA-6gmbA:
undetectable		 5ayfA-6gmbA:
undetectable