SIMILAR PATTERNS OF AMINO ACIDS FOR 4X61_A_SAMA701

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.
1dq3 ENDONUCLEASE

(Pyrococcus
furiosus) 		PF09061
(Stirrup)
PF09062
(Endonuc_subdom)
PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		5 GLY A 148
GLY A 150
LEU A 220
MET A 263
LEU A 246
 None
 1.24A 4x61A-1dq3A:
0.0		 4x61A-1dq3A:
21.98
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.
1ehy PROTEIN (SOLUBLE
EPOXIDE HYDROLASE)

(Agrobacterium
tumefaciens) 		PF00561
(Abhydrolase_1) 		5 GLY A 243
GLY A 245
PRO A 135
ARG A 288
LEU A 277
 None
 1.24A 4x61A-1ehyA:
0.4		 4x61A-1ehyA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f2j FRUCTOSE-BISPHOSPHAT
E ALDOLASE,
GLYCOSOMAL

(Trypanosoma
brucei) 		PF00274
(Glycolytic) 		5 LEU A 186
GLY A 235
PRO A 275
LEU A 274
ARG A 182
 None
 1.22A 4x61A-1f2jA:
2.5		 4x61A-1f2jA:
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.
1f8v MATURE CAPSID
PROTEIN BETA
MATURE CAPSID
PROTEIN GAMMA

(Pariacoto
virus;
Pariacoto virus) 		PF01829
(Peptidase_A6)
no annotation 		5 LEU A  52
GLY D 398
ASN A  49
LEU D 396
CYH A 344
 None
 1.22A 4x61A-1f8vA:
0.0		 4x61A-1f8vA:
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.
1ia7 CELLULASE CEL9M

([Clostridium]
cellulolyticum) 		PF00759
(Glyco_hydro_9) 		5 GLY A 392
GLY A 305
LEU A 389
ASN A 303
LEU A 298
 None
 1.30A 4x61A-1ia7A:
undetectable		 4x61A-1ia7A:
20.50
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY A 264
GLY A 262
PRO A  39
ASN A 270
GLU A 283
 None
 1.29A 4x61A-1itzA:
undetectable		 4x61A-1itzA:
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 LEU A 123
GLY A 290
PRO A 293
LEU A 335
LEU A 347
 None
 1.27A 4x61A-1l5jA:
2.4		 4x61A-1l5jA:
22.17
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.
1lfw PEPV

(Lactobacillus
delbrueckii) 		PF01546
(Peptidase_M20) 		5 LEU A 283
GLY A 265
GLY A 267
ASN A 278
GLU A  95
 None
 1.16A 4x61A-1lfwA:
undetectable		 4x61A-1lfwA:
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.
1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF01862
(PvlArgDC) 		5 GLY A  44
GLY A  42
LEU A  67
ASN A  40
LEU A  48
 None
 1.19A 4x61A-1n2mA:
undetectable		 4x61A-1n2mA:
13.02
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.
1q1a HST2 PROTEIN

(Saccharomyces
cerevisiae) 		PF02146
(SIR2) 		5 LEU A 120
GLY A  34
GLY A 223
LEU A 249
CYH A  39
 None
OAD  A1001 (-3.5A)
OAD  A1001 (-3.5A)
OAD  A1001 (-4.2A)
None
 1.19A 4x61A-1q1aA:
undetectable		 4x61A-1q1aA:
18.51
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.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT
4-HYDROXYBENZOYL-COA
REDUCTASE GAMMA
SUBUNIT

(Thauera
aromatica;
Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
PF00111
(Fer2)
PF01799
(Fer2_2) 		5 GLY C  43
LEU C  59
ASN A 690
MET A 191
ARG C 136
 None
FES  C1908 ( 4.2A)
None
None
None
 1.28A 4x61A-1sb3C:
undetectable		 4x61A-1sb3C:
12.36
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.
1sg4 3,2-TRANS-ENOYL-COA
ISOMERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00378
(ECH_1) 		5 LEU A  54
GLY A 112
GLY A  65
ASN A  26
CYH A 119
 None
 1.22A 4x61A-1sg4A:
undetectable		 4x61A-1sg4A:
17.43
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.
1sng COG4826: SERINE
PROTEASE INHIBITOR

(Thermobifida
fusca) 		PF00079
(Serpin) 		5 LEU A 286
GLY A  44
PRO A  68
LEU A  69
LEU A  58
 None
CAF  A  41 ( 3.6A)
None
None
None
 1.31A 4x61A-1sngA:
undetectable		 4x61A-1sngA:
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.
1ufx KIAA1526 PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		5 GLY A  67
GLY A  26
PRO A  34
LEU A  65
ASN A  28
 None
 1.08A 4x61A-1ufxA:
undetectable		 4x61A-1ufxA:
11.18
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.
1wr8 PHOSPHOGLYCOLATE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF08282
(Hydrolase_3) 		5 PRO A 150
ASN A 133
ARG A  96
GLU A  86
LEU A  89
 None
 1.32A 4x61A-1wr8A:
2.9		 4x61A-1wr8A:
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.
1xm9 PLAKOPHILIN 1

(Homo sapiens) 		PF00514
(Arm) 		5 LEU A 375
GLY A 330
GLU A 366
LEU A 367
CYH A 409
 None
 1.26A 4x61A-1xm9A:
undetectable		 4x61A-1xm9A:
21.75
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.
1yw1 PROTEIN YTNJ

(Bacillus
subtilis) 		PF00296
(Bac_luciferase) 		5 GLY A 122
GLY A  94
LEU A 113
ASN A 124
LEU A 422
 None
None
None
FMN  A2606 ( 4.5A)
None
 1.31A 4x61A-1yw1A:
undetectable		 4x61A-1yw1A:
21.58
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.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		5 LEU A 142
GLY A 113
ASN A 190
GLU A 110
LEU A 111
 None
 1.21A 4x61A-1zmbA:
2.2		 4x61A-1zmbA:
16.72
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.
2dw6 BLL6730 PROTEIN

(Bradyrhizobium
japonicum) 		PF13378
(MR_MLE_C) 		5 GLY A 336
PRO A 316
LEU A 306
ASN A 145
LEU A 136
 None
 1.28A 4x61A-2dw6A:
3.8		 4x61A-2dw6A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iu4 DIHYDROXYACETONE
KINASE

(Lactococcus
lactis) 		PF02733
(Dak1) 		5 LEU A 203
GLY A 302
GLY A 261
LEU A 268
GLU A 267
 None
 1.19A 4x61A-2iu4A:
2.1		 4x61A-2iu4A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jzk CYANOVIRIN-N HOMOLOG

(Tuber borchii) 		PF08881
(CVNH) 		5 LEU A  71
GLY A  42
GLY A  51
LEU A  48
CYH A  73
 None
 1.19A 4x61A-2jzkA:
undetectable		 4x61A-2jzkA:
10.72
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.
2nwq PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00106
(adh_short) 		5 LEU A  46
GLY A  15
GLY A   9
LEU A 137
ARG A  20
 None
None
SO4  A 254 (-3.1A)
None
None
 1.29A 4x61A-2nwqA:
3.9		 4x61A-2nwqA:
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.
2p17 PIRIN-LIKE PROTEIN

(Geobacillus
kaustophilus) 		PF02678
(Pirin)
PF05726
(Pirin_C) 		5 GLY A  84
GLY A  69
PRO A 103
LEU A  71
ARG A 148
 None
 1.31A 4x61A-2p17A:
undetectable		 4x61A-2p17A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ppq HOMOSERINE KINASE

(Agrobacterium
fabrum) 		PF01636
(APH) 		5 LEU A 110
GLY A 208
LEU A  77
ASN A 198
LEU A 206
 None
None
None
PO4  A 401 (-2.8A)
None
 1.31A 4x61A-2ppqA:
undetectable		 4x61A-2ppqA:
20.83
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.
2q3z TRANSGLUTAMINASE 2

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 LEU A 534
LEU A 544
LYS A 540
MET A 475
LEU A 507
 None
 1.21A 4x61A-2q3zA:
undetectable		 4x61A-2q3zA:
21.15
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.
2r44 UNCHARACTERIZED
PROTEIN

(Cytophaga
hutchinsonii) 		PF07726
(AAA_3) 		5 LEU A  71
PRO A  54
LEU A  50
ASN A  63
LEU A 151
 None
 1.23A 4x61A-2r44A:
undetectable		 4x61A-2r44A:
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.
2r79 PERIPLASMIC BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF01497
(Peripla_BP_2) 		5 LEU A 150
GLY A 276
PRO A 298
ARG A 195
LEU A 273
 None
None
None
SO4  A 910 (-3.8A)
None
 1.25A 4x61A-2r79A:
undetectable		 4x61A-2r79A:
18.98
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.
2vdv TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF02390
(Methyltransf_4) 		5 GLY E 212
PRO E 281
LEU E 280
LYS E 177
LEU E 241
 None
 1.13A 4x61A-2vdvE:
6.2		 4x61A-2vdvE:
16.51
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.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 GLY A 516
PRO A 208
LEU A 464
ASN A 468
LEU A 619
 None
 1.31A 4x61A-2xaxA:
2.4		 4x61A-2xaxA:
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.
2yuj UBIQUITIN FUSION
DEGRADATION 1-LIKE

(Homo sapiens) 		PF03152
(UFD1) 		5 LEU A 114
GLY A  78
GLY A  41
PRO A  92
LEU A  91
 None
 1.32A 4x61A-2yujA:
undetectable		 4x61A-2yujA:
15.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yy9 ZINC FINGER AND BTB
DOMAIN-CONTAINING
PROTEIN 48

(Mus musculus) 		PF00651
(BTB) 		5 LEU A  30
GLY A  68
LEU A  97
GLU A 101
LEU A 102
 None
 1.23A 4x61A-2yy9A:
undetectable		 4x61A-2yy9A:
11.92
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.
2zme VACUOLAR
PROTEIN-SORTING-ASSO
CIATED PROTEIN 25

(Homo sapiens) 		PF05871
(ESCRT-II) 		5 LEU C  78
LEU C  43
ASN C  86
MET C  49
LEU C  59
 None
 1.28A 4x61A-2zmeC:
undetectable		 4x61A-2zmeC:
9.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bb8 CDP-4-KETO-6-DEOXY-D
-GLUCOSE-3-DEHYDRASE

(Yersinia
pseudotuberculosis) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A 196
GLY A 299
LEU A  48
GLU A 304
LEU A 303
 None
 1.03A 4x61A-3bb8A:
2.2		 4x61A-3bb8A:
21.54
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.
3beo UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
anthracis) 		PF02350
(Epimerase_2) 		5 LEU A  23
GLY A 175
GLY A 353
PRO A 351
GLU A 291
 None
 1.16A 4x61A-3beoA:
3.9		 4x61A-3beoA:
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.
3bus METHYLTRANSFERASE

(Lechevalieria
aerocolonigenes) 		PF08241
(Methyltransf_11) 		5 GLY A  69
GLY A  71
PRO A  75
LEU A 136
GLU A 137
 SAH  A 274 (-3.1A)
SAH  A 274 (-3.4A)
SAH  A 274 (-4.3A)
SAH  A 274 (-4.3A)
None
 1.31A 4x61A-3busA:
8.5		 4x61A-3busA:
17.46
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.
3cnh HYDROLASE FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		5 LEU A  49
GLY A  18
LEU A  15
ASN A 108
LEU A 113
 None
None
None
PO4  A 201 (-4.5A)
None
 1.15A 4x61A-3cnhA:
undetectable		 4x61A-3cnhA:
15.47
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.
3dh3 RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE F

(Escherichia
coli) 		PF00849
(PseudoU_synth_2)
PF01479
(S4) 		5 GLY A 104
PRO A 102
LEU A 116
ARG A 207
LEU A 113
 G  E2603 ( 3.6A)
None
None
None
None
 1.10A 4x61A-3dh3A:
undetectable		 4x61A-3dh3A:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3djl PROTEIN AIDB

(Escherichia
coli) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M) 		5 LEU A  56
GLY A 130
PRO A 134
ASN A  63
ARG A 312
 None
 1.31A 4x61A-3djlA:
undetectable		 4x61A-3djlA:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gq9 PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 LEU A 428
GLY A 452
LEU A 479
ASN A 455
ARG A 390
 None
 1.25A 4x61A-3gq9A:
undetectable		 4x61A-3gq9A:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4x PHOSPHATIDYLINOSITOL
-SPECIFIC
PHOSPHOLIPASE C1

(Streptomyces
antibioticus) 		PF16670
(PI-PLC-C1) 		5 LEU A  58
MET A 111
GLU A  60
LEU A  61
CYH A 107
 None
 1.17A 4x61A-3h4xA:
5.9		 4x61A-3h4xA:
19.45
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.
3jd8 NIEMANN-PICK C1
PROTEIN

(Homo sapiens) 		PF02460
(Patched)
PF12349
(Sterol-sensing)
PF16414
(NPC1_N) 		5 LEU A 469
GLY A 539
GLY A 535
PRO A 532
LEU A 472
 None
 1.24A 4x61A-3jd8A:
undetectable		 4x61A-3jd8A:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 LEU A  56
GLY A 114
GLY A  67
ASN A  28
CYH A 121
 None
 1.30A 4x61A-3kqfA:
2.6		 4x61A-3kqfA:
17.72
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.
3lh5 TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00625
(Guanylate_kin)
PF07653
(SH3_2) 		5 LEU A 583
GLY A 555
GLY A 552
LEU A 549
ASN A 578
 None
 0.99A 4x61A-3lh5A:
undetectable		 4x61A-3lh5A:
17.62
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.
3nsw EXCRETORY-SECRETORY
PROTEIN 2

(Ancylostoma
ceylanicum) 		no annotation 5 LEU A  67
GLY A  56
PRO A  53
ASN A  35
LEU A  75
 None
 1.32A 4x61A-3nswA:
undetectable		 4x61A-3nswA:
11.75
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.
3p5m ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 LEU A  52
GLY A 103
GLY A  62
ASN A  24
CYH A 110
 None
 1.33A 4x61A-3p5mA:
undetectable		 4x61A-3p5mA:
17.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q71 POLY [ADP-RIBOSE]
POLYMERASE 14

(Homo sapiens) 		PF01661
(Macro) 		5 GLY A1133
GLY A1135
PRO A1045
LEU A1046
MET A1108
 AR6  A 800 (-3.4A)
AR6  A 800 (-3.1A)
AR6  A 800 (-3.3A)
AR6  A 800 (-3.6A)
None
 1.21A 4x61A-3q71A:
2.9		 4x61A-3q71A:
16.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3suc PRENECK APPENDAGE
PROTEIN

(Bacillus virus
phi29) 		PF11962
(Peptidase_G2)
PF12708
(Pectate_lyase_3) 		5 LEU A 428
GLY A 452
LEU A 479
ASN A 455
ARG A 390
 None
 1.22A 4x61A-3sucA:
undetectable		 4x61A-3sucA:
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.
3tgl TRIACYL-GLYCEROL
ACYLHYDROLASE

(Rhizomucor
miehei) 		PF01764
(Lipase_3) 		5 LEU A 122
GLY A 146
GLY A  81
ASN A  63
CYH A 153
 None
 1.30A 4x61A-3tglA:
2.4		 4x61A-3tglA:
18.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		8 GLY A 414
GLY A 416
ASN A 452
MET A 478
ARG A 479
GLU A 499
LEU A 500
CYH A 513
 None
 0.70A 4x61A-3ua4A:
19.6		 4x61A-3ua4A:
34.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		8 GLY A 414
GLY A 416
PRO A 419
ASN A 452
MET A 478
GLU A 499
LEU A 500
CYH A 513
 None
 0.73A 4x61A-3ua4A:
19.6		 4x61A-3ua4A:
34.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		7 GLY A 414
LYS A 451
ASN A 452
ARG A 479
GLU A 499
LEU A 500
CYH A 513
 None
 0.86A 4x61A-3ua4A:
19.6		 4x61A-3ua4A:
34.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		7 GLY A 414
PRO A 419
LYS A 451
ASN A 452
GLU A 499
LEU A 500
CYH A 513
 None
 0.91A 4x61A-3ua4A:
19.6		 4x61A-3ua4A:
34.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ua4 PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Caenorhabditis
elegans) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 GLY A 415
LYS A 451
ARG A 479
GLU A 499
CYH A 513
 None
 1.12A 4x61A-3ua4A:
19.6		 4x61A-3ua4A:
34.04
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.
3va6 TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 LEU A  70
GLY A 106
GLY A 110
PRO A 129
LEU A 144
 None
 1.24A 4x61A-3va6A:
undetectable		 4x61A-3va6A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vps NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Streptomyces
chartreusis) 		PF01370
(Epimerase) 		5 GLY A  14
GLY A  17
PRO A  44
LEU A  40
LEU A  37
 NAD  A 401 (-3.2A)
NAD  A 401 (-3.3A)
None
None
None
 1.31A 4x61A-3vpsA:
2.7		 4x61A-3vpsA:
19.03
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.
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 LEU A2070
PRO A1938
LEU A1937
ASN A2005
LEU A2000
 None
 1.29A 4x61A-3zbfA:
undetectable		 4x61A-3zbfA:
19.01
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.
4af5 HTH-TYPE
TRANSCRIPTIONAL
REPRESSOR ACNR
COMPND 2

(Corynebacterium
glutamicum) 		PF00440
(TetR_N) 		5 LEU A 177
ASN A  77
MET A  86
GLU A 154
LEU A 157
 None
MG  A1187 ( 4.4A)
None
None
None
 1.31A 4x61A-4af5A:
undetectable		 4x61A-4af5A:
15.13
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.
4b46 CELL DIVISION
PROTEIN FTSZ

(Haloferax
volcanii) 		PF00091
(Tubulin) 		5 GLY A 135
GLY A 106
PRO A 138
LEU A 137
LEU A 164
 None
GDP  A1368 (-3.6A)
GDP  A1368 (-4.2A)
None
None
 1.13A 4x61A-4b46A:
undetectable		 4x61A-4b46A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Mus musculus) 		PF06325
(PrmA) 		5 GLY A  72
GLY A  74
LEU A  78
GLU A 144
LEU A 145
 SAH  A1689 (-3.0A)
SAH  A1689 ( 3.7A)
SAH  A1689 (-4.5A)
SAH  A1689 (-4.4A)
SAH  A1689 (-4.4A)
 0.49A 4x61A-4c4aA:
18.1		 4x61A-4c4aA:
23.66
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.
4dag FUSION GLYCOPROTEIN
F0

(Human
metapneumovirus) 		PF00523
(Fusion_gly) 		5 GLY A 257
GLY A 255
PRO A 274
LEU A 273
LEU A 221
 None
 1.17A 4x61A-4dagA:
undetectable		 4x61A-4dagA:
21.07
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.
4exq UROPORPHYRINOGEN
DECARBOXYLASE

(Burkholderia
thailandensis) 		PF01208
(URO-D) 		6 LEU A 262
GLY A 296
GLY A 332
PRO A 300
LEU A 298
LEU A 281
 None
 1.34A 4x61A-4exqA:
3.4		 4x61A-4exqA:
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.
4f4o HAPTOGLOBIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 LEU C 108
GLY C 224
GLY C 226
ASN C 228
LEU C 237
 None
 1.20A 4x61A-4f4oC:
undetectable		 4x61A-4f4oC:
20.92
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.
4fkz UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
subtilis) 		PF02350
(Epimerase_2) 		5 LEU A  22
GLY A 173
GLY A 351
PRO A 349
GLU A 289
 None
 1.12A 4x61A-4fkzA:
3.8		 4x61A-4fkzA:
20.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g56 HSL7 PROTEIN

(Xenopus laevis) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		10 GLY A 361
GLY A 363
LEU A 367
LYS A 389
ASN A 390
MET A 416
ARG A 417
GLU A 431
LEU A 432
CYH A 445
 SAH  A 701 (-3.3A)
SAH  A 701 ( 4.1A)
None
SAH  A 701 (-4.0A)
None
SAH  A 701 (-4.3A)
SAH  A 701 ( 4.7A)
SAH  A 701 (-3.1A)
SAH  A 701 (-4.5A)
SAH  A 701 (-3.4A)
 0.49A 4x61A-4g56A:
40.2		 4x61A-4g56A:
80.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g56 HSL7 PROTEIN

(Xenopus laevis) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		10 GLY A 361
GLY A 363
PRO A 366
LEU A 367
LYS A 389
ASN A 390
MET A 416
GLU A 431
LEU A 432
CYH A 445
 SAH  A 701 (-3.3A)
SAH  A 701 ( 4.1A)
None
None
SAH  A 701 (-4.0A)
None
SAH  A 701 (-4.3A)
SAH  A 701 (-3.1A)
SAH  A 701 (-4.5A)
SAH  A 701 (-3.4A)
 0.56A 4x61A-4g56A:
40.2		 4x61A-4g56A:
80.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g56 HSL7 PROTEIN

(Xenopus laevis) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		9 LEU A 311
GLY A 361
GLY A 363
LYS A 389
ASN A 390
MET A 416
ARG A 417
GLU A 431
CYH A 445
 SAH  A 701 (-4.1A)
SAH  A 701 (-3.3A)
SAH  A 701 ( 4.1A)
SAH  A 701 (-4.0A)
None
SAH  A 701 (-4.3A)
SAH  A 701 ( 4.7A)
SAH  A 701 (-3.1A)
SAH  A 701 (-3.4A)
 0.64A 4x61A-4g56A:
40.2		 4x61A-4g56A:
80.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g56 HSL7 PROTEIN

(Xenopus laevis) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		9 LEU A 311
GLY A 361
GLY A 363
PRO A 366
LYS A 389
ASN A 390
MET A 416
GLU A 431
CYH A 445
 SAH  A 701 (-4.1A)
SAH  A 701 (-3.3A)
SAH  A 701 ( 4.1A)
None
SAH  A 701 (-4.0A)
None
SAH  A 701 (-4.3A)
SAH  A 701 (-3.1A)
SAH  A 701 (-3.4A)
 0.68A 4x61A-4g56A:
40.2		 4x61A-4g56A:
80.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Homo sapiens) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		12 LEU A 315
GLY A 365
GLY A 367
PRO A 370
LEU A 371
LYS A 393
ASN A 394
MET A 420
ARG A 421
GLU A 435
LEU A 436
CYH A 449
 0XU  A 701 (-3.9A)
0XU  A 701 (-2.9A)
0XU  A 701 ( 3.7A)
0XU  A 701 (-4.2A)
0XU  A 701 (-4.3A)
0XU  A 701 (-3.9A)
None
0XU  A 701 (-4.4A)
0XU  A 701 ( 4.9A)
0XU  A 701 (-4.2A)
None
0XU  A 701 (-3.6A)
 0.52A 4x61A-4gqbA:
50.3		 4x61A-4gqbA:
98.76
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.
4i66 UNCHARACTERIZED
PROTEIN HOCH_4089

(Haliangium
ochraceum) 		PF13709
(DUF4159) 		5 LEU A 116
GLY A 178
PRO A 145
MET A 176
LEU A 185
 None
 1.22A 4x61A-4i66A:
undetectable		 4x61A-4i66A:
17.33
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		5 LEU A 690
GLY A 846
GLY A 662
LEU A 660
LEU A 667
 None
 1.33A 4x61A-4k0eA:
undetectable		 4x61A-4k0eA:
22.29
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 LEU A 449
GLY A 724
GLY A 708
ASN A 726
LEU A 436
 None
None
None
None
GOL  A 822 (-4.4A)
 1.12A 4x61A-4lgnA:
undetectable		 4x61A-4lgnA:
22.19
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.
4lwo ARGININE
N-METHYLTRANSFERASE,
PUTATIVE

(Trypanosoma
brucei) 		no annotation 5 GLY B  62
GLY B  64
LEU B  68
ARG B 359
GLU B 142
 None
 1.01A 4x61A-4lwoB:
17.3		 4x61A-4lwoB:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mll BETA-LACTAMASE OXA-1

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 LEU A 161
GLY A 214
GLY A 227
ASN A 226
GLU A 230
 1S6  A 301 ( 4.3A)
1S6  A 301 (-3.3A)
None
None
None
 1.30A 4x61A-4mllA:
undetectable		 4x61A-4mllA:
16.10
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.
4r16 418AA LONG
HYPOTHETICAL
UDP-N-ACETYL-D-MANNO
SAMINURONIC ACID
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A   7
GLY A   9
PRO A  14
ARG A  99
GLU A 117
 None
 1.08A 4x61A-4r16A:
4.1		 4x61A-4r16A:
22.66
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.
4xg0 UNCHARACTERIZED
PROTEIN

(Bordetella
bronchiseptica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 LEU A  93
GLY A 216
GLY A 219
PRO A 223
LEU A 224
 None
 1.30A 4x61A-4xg0A:
undetectable		 4x61A-4xg0A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xru PNKP1

(Capnocytophaga
gingivalis) 		PF13671
(AAA_33) 		5 GLY A 186
LEU A 184
ASN A 308
ARG A 297
CYH A 304
 MG  A 401 ( 4.7A)
None
None
None
None
 1.22A 4x61A-4xruA:
3.2		 4x61A-4xruA:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yam BETA-ETHERASE

(Sphingobium sp.
SYK-6) 		PF13417
(GST_N_3) 		5 LEU A 236
GLY A 228
GLY A 226
MET A 233
LEU A 196
 None
 1.27A 4x61A-4yamA:
undetectable		 4x61A-4yamA:
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.
4zr8 UROPORPHYRINOGEN
DECARBOXYLASE

(Acinetobacter
baumannii) 		PF01208
(URO-D) 		5 LEU A 256
GLY A 290
GLY A 329
LEU A 292
LEU A 275
 None
 1.20A 4x61A-4zr8A:
10.8		 4x61A-4zr8A:
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.
5d3q DYNAMIN-1,DYNAMIN-1

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M) 		5 LEU A 305
PRO A  32
LEU A  31
ASN A 298
LEU A 735
 None
 1.11A 4x61A-5d3qA:
undetectable		 4x61A-5d3qA:
21.48
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.
5dwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 GLY C 116
PRO C  74
LEU C  67
MET C 107
GLU C  64
 None
 1.25A 4x61A-5dwzC:
undetectable		 4x61A-5dwzC:
20.87
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.
5enz UDP-GLCNAC
2-EPIMERASE

(Staphylococcus
aureus) 		PF02350
(Epimerase_2) 		5 LEU A  20
GLY A 171
GLY A 349
PRO A 347
GLU A 287
 None
 1.31A 4x61A-5enzA:
undetectable		 4x61A-5enzA:
18.64
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.
5gra TRNA
(CYTIDINE/URIDINE-2'
-O-)-METHYLTRANSFERA
SE TRMJ

(Zymomonas
mobilis) 		PF00588
(SpoU_methylase) 		5 GLY A  20
GLY A  16
PRO A  13
LEU A  10
LEU A  59
 None
 1.30A 4x61A-5graA:
2.0		 4x61A-5graA:
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.
5hzr SNF2-FAMILY ATP
DEPENDENT CHROMATIN
REMODELING FACTOR
LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C)
PF14619
(SnAC) 		5 LEU A 592
GLY A 575
PRO A 730
LEU A 729
LEU A 568
 None
None
None
KH2  A1204 (-4.6A)
None
 1.32A 4x61A-5hzrA:
3.8		 4x61A-5hzrA:
21.19
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.
5ipx ORF49 PROTEIN

(Human
gammaherpesvirus
8) 		PF04793
(Herpes_BBRF1) 		5 LEU A  87
GLY A 101
ASN A 100
LEU A 121
CYH A 211
 None
 1.20A 4x61A-5ipxA:
undetectable		 4x61A-5ipxA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5je8 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Bacillus cereus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		5 GLY A   8
GLY A  10
PRO A  15
ASN A  33
LEU A  65
 NAD  A 401 ( 3.7A)
NAD  A 401 (-3.3A)
None
None
NAD  A 401 (-4.9A)
 1.29A 4x61A-5je8A:
2.8		 4x61A-5je8A:
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.
5jij ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE

(Mycolicibacterium
thermoresistibile) 		PF00982
(Glyco_transf_20) 		5 LEU A  47
GLY A 164
PRO A 151
LEU A 154
ARG A  51
 None
 1.27A 4x61A-5jijA:
3.7		 4x61A-5jijA:
21.74
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.
5khl HEMIN ABC
TRANSPORTER,
PERIPLASMIC
HEMIN-BINDING
PROTEIN HUTB

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		5 GLY B 186
GLY B 183
LEU B 147
ASN B 189
LEU B 275
 None
 1.21A 4x61A-5khlB:
3.5		 4x61A-5khlB:
17.62
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.
5li8 PUTATIVE CYTOCHROME
P450 126

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 GLY A 385
GLY A 413
PRO A 139
LEU A 411
LEU A 381
 None
 1.12A 4x61A-5li8A:
undetectable		 4x61A-5li8A:
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.
5lq3 CMEB

(Campylobacter
jejuni) 		PF00873
(ACR_tran) 		5 LEU A 646
PRO A 577
LEU A 576
MET A 625
GLU A 588
 None
 1.29A 4x61A-5lq3A:
undetectable		 4x61A-5lq3A:
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.
5m1t MUCR
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		5 LEU A 605
GLY A 586
GLY A 584
PRO A 554
LEU A 557
 None
 1.31A 4x61A-5m1tA:
5.1		 4x61A-5m1tA:
17.45
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.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		5 LEU A 695
GLY A 702
PRO A 130
LEU A 708
ASN A 152
 83M  A 801 ( 4.4A)
None
None
None
None
 1.21A 4x61A-5ubkA:
undetectable		 4x61A-5ubkA:
23.30
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.
5v2i GLYCOSYLASPARAGINASE

(Elizabethkingia
meningoseptica) 		PF01112
(Asparaginase_2) 		5 GLY A  52
GLY A  54
LYS A  86
ARG A  40
GLU A  48
 None
 1.19A 4x61A-5v2iA:
undetectable		 4x61A-5v2iA:
18.77
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.
5vkt CINNAMYL ALCOHOL
DEHYDROGENASES
(SBCAD4)

(Sorghum bicolor) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  92
GLY A  73
LEU A 141
LEU A 164
CYH A 308
 None
None
None
None
GOL  A 403 (-3.0A)
 1.28A 4x61A-5vktA:
7.2		 4x61A-5vktA:
21.54
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.
5wb0 FUSION GLYCOPROTEIN
F0

(Human
metapneumovirus) 		no annotation 5 GLY F 257
GLY F 255
PRO F 274
LEU F 273
LEU F 221
 None
 1.29A 4x61A-5wb0F:
undetectable		 4x61A-5wb0F:
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.
5wrt SOLUBLE INORGANIC
PYROPHOSPHATASE

(Toxoplasma
gondii) 		no annotation 5 GLY A 236
PRO A 238
MET A 122
GLU A 202
LEU A 204
 None
 1.28A 4x61A-5wrtA:
undetectable		 4x61A-5wrtA:
17.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xau LAMININ SUBUNIT
ALPHA-5

(Homo sapiens) 		PF02210
(Laminin_G_2)
PF06009
(Laminin_II) 		5 LEU A3077
GLY A3067
GLY A2950
LEU A2946
CYH A2990
 None
 1.28A 4x61A-5xauA:
undetectable		 4x61A-5xauA:
21.75
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		5 LEU C2219
GLY C2181
GLY C2179
LEU C2083
LEU C2171
 None
 1.19A 4x61A-5y3rC:
undetectable		 4x61A-5y3rC:
10.05
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.
6c6k INTERFERON-INDUCED
PROTEIN WITH
TETRATRICOPEPTIDE
REPEATS 1

(Homo sapiens) 		no annotation 5 LEU A  42
ASN A  58
GLU A  38
LEU A  37
CYH A 154
 None
 1.26A 4x61A-6c6kA:
undetectable		 4x61A-6c6kA:
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.
6dey -

(-) 		no annotation 5 GLY A  52
GLY A  54
LYS A  86
ARG A  40
GLU A  48
 None
 1.31A 4x61A-6deyA:
undetectable		 4x61A-6deyA:
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.
6g72 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
1
NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
8, MITOCHONDRIAL
NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
13

(Mus musculus;
Mus musculus;
Mus musculus) 		no annotation
no annotation
no annotation 		5 LEU Z  29
GLY Z  38
GLY Z  40
LEU H 176
MET I  28
 None
 1.16A 4x61A-6g72Z:
undetectable		 4x61A-6g72Z:
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.
1e3j NADP(H)-DEPENDENT
KETOSE REDUCTASE

(Bemisia
argentifolii) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 TYR A 301
TYR A 107
GLU A 152
ASP A  44
 None
None
ZN  A 902 ( 3.9A)
None
 1.37A 4x61A-1e3jA:
4.6		 4x61A-1e3jA:
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.
1i4w MITOCHONDRIAL
REPLICATION PROTEIN
MTF1

(Saccharomyces
cerevisiae) 		PF00398
(RrnaAD) 		4 TYR A  22
TYR A  29
GLU A  77
ASP A 101
 None
 1.48A 4x61A-1i4wA:
6.9		 4x61A-1i4wA:
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.
1qle CYTOCHROME C OXIDASE
POLYPEPTIDE II
HEAVY CHAIN ANTIBODY
FV FRAGMENT

(Paracoccus
denitrificans;
Mus musculus) 		PF00116
(COX2)
PF02790
(COX2_TM)
PF07686
(V-set) 		4 TYR H 101
TYR H  32
GLU B 209
ASP B   6
 None
 1.47A 4x61A-1qleH:
undetectable		 4x61A-1qleH:
12.18
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		4 TYR G1572
TYR G1266
GLU G1253
ASP G1162
 None
 1.34A 4x61A-2uv8G:
2.1		 4x61A-2uv8G:
15.71
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.
2w61 GLYCOLIPID-ANCHORED
SURFACE PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03198
(Glyco_hydro_72)
PF07983
(X8) 		4 TYR A 244
TYR A 257
GLU A 275
ASP A 132
 None
 1.49A 4x61A-2w61A:
2.3		 4x61A-2w61A:
21.88
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.
3hq2 BACILLUS SUBTILIS
M32 CARBOXYPEPTIDASE

(Bacillus
subtilis) 		PF02074
(Peptidase_M32) 		4 TYR A 426
TYR A 272
GLU A 162
ASP A 159
 None
 1.17A 4x61A-3hq2A:
0.0		 4x61A-3hq2A:
21.34
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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		4 TYR A  17
TYR A  66
GLU A 263
ASP A 244
 None
 1.42A 4x61A-3ipwA:
7.3		 4x61A-3ipwA:
19.38
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.
3rfy PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP38, CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00160
(Pro_isomerase) 		4 TYR A 109
TYR A 399
GLU A 126
ASP A 130
 None
 1.26A 4x61A-3rfyA:
undetectable		 4x61A-3rfyA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tmp OTU
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		PF02338
(OTU) 		4 TYR A 269
LYS A 178
TYR A 181
GLU A 284
 SEP  A 177 ( 4.9A)
SEP  A 177 ( 2.7A)
SEP  A 177 ( 4.1A)
None
 1.34A 4x61A-3tmpA:
undetectable		 4x61A-3tmpA:
14.35
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.
3vrh PUTATIVE
UNCHARACTERIZED
PROTEIN PH0300

(Pyrococcus
horikoshii) 		PF01171
(ATP_bind_3) 		4 TYR A  16
LYS A  33
TYR A  29
GLU A 239
 None
 1.20A 4x61A-3vrhA:
2.1		 4x61A-3vrhA:
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.
4fdy SIMILAR TO
LIPOPROTEIN, NLP/P60
FAMILY

(Staphylococcus
aureus) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 TYR A 197
TYR A 176
GLU A  83
ASP A  90
 None
 1.28A 4x61A-4fdyA:
undetectable		 4x61A-4fdyA:
19.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gqb PROTEIN ARGININE
N-METHYLTRANSFERASE
5

(Homo sapiens) 		PF05185
(PRMT5)
PF17285
(PRMT5_TIM)
PF17286
(PRMT5_C) 		5 TYR A 324
LYS A 333
TYR A 334
GLU A 392
ASP A 419
 0XU  A 701 (-4.3A)
0XU  A 701 (-3.0A)
0XU  A 701 (-4.6A)
0XU  A 701 (-2.9A)
0XU  A 701 (-2.9A)
 0.21A 4x61A-4gqbA:
50.3		 4x61A-4gqbA:
98.76
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.
4hpe PUTATIVE CELL WALL
HYDROLASE
TN916-LIKE,CTN1-ORF1
7

(Clostridioides
difficile) 		PF00877
(NLPC_P60)
PF13702
(Lysozyme_like) 		4 TYR A 196
TYR A 175
GLU A  81
ASP A  88
 GOL  A 406 ( 4.5A)
None
GOL  A 406 (-2.9A)
None
 1.27A 4x61A-4hpeA:
undetectable		 4x61A-4hpeA:
17.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wnr LEUCINE-RICH-REPEAT
PROTEIN

(Methanosarcina
barkeri) 		PF08477
(Roc)
PF16095
(COR) 		4 TYR A 563
TYR A 597
GLU A 381
ASP A 376
 None
None
None
GDP  A 701 ( 4.6A)
 1.44A 4x61A-4wnrA:
1.7		 4x61A-4wnrA:
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.
4x6k ANHYDROSIALIDASE

([Ruminococcus]
gnavus) 		PF13088
(BNR_2) 		4 TYR A 666
LYS A 694
TYR A 692
GLU A 718
 None
 1.42A 4x61A-4x6kA:
undetectable		 4x61A-4x6kA:
22.17
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.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		4 TYR A 165
TYR A 191
GLU A 479
ASP A 561
 None
None
None
DJN  A 702 (-2.9A)
 1.48A 4x61A-5wzrA:
0.0		 4x61A-5wzrA:
20.29