SIMILAR PATTERNS OF AMINO ACIDS FOR 4F8Y_C_VK3C202_1

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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		4 ARG A 413
TYR A 483
TYR A 485
ASN A 247
 ACT  A 518 ( 4.3A)
None
None
ACT  A 518 (-3.3A)
 1.13A 4f8yC-1b2hA:
1.3
4f8yD-1b2hA:
1.4		 4f8yC-1b2hA:
16.96
4f8yD-1b2hA:
16.96
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.
1bf2 ISOAMYLASE

(Pseudomonas
amyloderamosa) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 TYR A 213
TYR A 182
LEU A 217
TRP A 608
 None
 1.28A 4f8yC-1bf2A:
0.0
4f8yD-1bf2A:
undetectable		 4f8yC-1bf2A:
13.77
4f8yD-1bf2A:
13.77
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.
1bml STREPTOKINASE

(Streptococcus
dysgalactiae) 		PF02821
(Staphylokinase) 		4 ARG C 248
TYR C 243
LEU C 235
TYR C  97
 None
 1.21A 4f8yC-1bmlC:
undetectable
4f8yD-1bmlC:
undetectable		 4f8yC-1bmlC:
20.39
4f8yD-1bmlC:
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.
1iyl MYRISTOYL-COA:PROTEI
N
N-MYRISTOYLTRANSFERA
SE

(Candida
albicans) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 TYR A 225
LEU A 394
ASN A 392
TYR A 335
 R64  A 452 (-3.6A)
R64  A 452 (-4.6A)
R64  A 452 (-3.4A)
None
 1.31A 4f8yC-1iylA:
undetectable
4f8yD-1iylA:
undetectable		 4f8yC-1iylA:
18.88
4f8yD-1iylA:
18.88
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.
1iyl MYRISTOYL-COA:PROTEI
N
N-MYRISTOYLTRANSFERA
SE

(Candida
albicans) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 TYR A 225
LEU A 415
ASN A 392
TYR A 335
 R64  A 452 (-3.6A)
None
R64  A 452 (-3.4A)
None
 1.26A 4f8yC-1iylA:
undetectable
4f8yD-1iylA:
undetectable		 4f8yC-1iylA:
18.88
4f8yD-1iylA:
18.88
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 TYR A 448
TYR A 452
ASN A 539
TYR A 587
 None
 1.26A 4f8yC-1j0nA:
undetectable
4f8yD-1j0nA:
undetectable		 4f8yC-1j0nA:
12.87
4f8yD-1j0nA:
12.87
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.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1

(Homo sapiens) 		PF01704
(UDPGP) 		4 ARG A 422
TYR A 125
LEU A 116
ASN A 417
 None
 1.33A 4f8yC-1jv1A:
0.0
4f8yD-1jv1A:
0.0		 4f8yC-1jv1A:
16.04
4f8yD-1jv1A:
16.04
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.
1lt3 HEAT-LABILE
ENTEROTOXIN

(Escherichia
coli) 		PF01375
(Enterotoxin_a) 		4 TYR A 149
TYR A 150
LEU A 153
ASN A  93
 None
 1.20A 4f8yC-1lt3A:
undetectable
4f8yD-1lt3A:
undetectable		 4f8yC-1lt3A:
19.72
4f8yD-1lt3A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lt3 HEAT-LABILE
ENTEROTOXIN

(Escherichia
coli) 		PF01375
(Enterotoxin_a) 		4 TYR A 149
TYR A 150
LEU A 153
TYR A 210
 None
 1.18A 4f8yC-1lt3A:
undetectable
4f8yD-1lt3A:
undetectable		 4f8yC-1lt3A:
19.72
4f8yD-1lt3A:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ltt HEAT-LABILE
ENTEROTOXIN, SUBUNIT
A

(Escherichia
coli) 		PF01375
(Enterotoxin_a) 		4 TYR A 149
TYR A 150
LEU A 153
ASN A  93
 None
 1.22A 4f8yC-1lttA:
undetectable
4f8yD-1lttA:
undetectable		 4f8yC-1lttA:
18.72
4f8yD-1lttA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 TYR B 453
LEU B 493
ASN B 497
TYR B 551
 None
 1.17A 4f8yC-1ovlB:
undetectable
4f8yD-1ovlB:
0.2		 4f8yC-1ovlB:
21.03
4f8yD-1ovlB:
21.03
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.
1psh PHOSPHOLIPASE A2

(Naja naja) 		PF00068
(Phospholip_A2_1) 		4 TYR A   3
LEU A   2
TRP A  19
ASN A   7
 None
 1.33A 4f8yC-1pshA:
undetectable
4f8yD-1pshA:
undetectable		 4f8yC-1pshA:
17.80
4f8yD-1pshA:
17.80
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.
1qnl ALIPHATIC AMIDASE
EXPRESSION-REGULATIN
G PROTEIN

(Pseudomonas
aeruginosa) 		PF13433
(Peripla_BP_5) 		4 TYR A 139
TYR A 134
LEU A 135
TYR A 214
 None
 1.19A 4f8yC-1qnlA:
4.8
4f8yD-1qnlA:
3.1		 4f8yC-1qnlA:
17.65
4f8yD-1qnlA:
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.
1s5f CHOLERA ENTEROTOXIN,
A CHAIN

(Vibrio cholerae) 		PF01375
(Enterotoxin_a) 		4 TYR A 149
TYR A 150
LEU A 153
ASN A  93
 None
 1.17A 4f8yC-1s5fA:
undetectable
4f8yD-1s5fA:
undetectable		 4f8yC-1s5fA:
21.18
4f8yD-1s5fA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aam HYPOTHETICAL PROTEIN
TM1410

(Thermotoga
maritima) 		PF03537
(Glyco_hydro_114) 		4 TYR A  39
LEU A  41
ASN A  91
TYR A 141
 GOL  A  14 (-4.8A)
UNL  A   1 (-3.9A)
None
None
 1.00A 4f8yC-2aamA:
undetectable
4f8yD-2aamA:
undetectable		 4f8yC-2aamA:
18.33
4f8yD-2aamA:
18.33
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.
2acg PROFILIN II

(Acanthamoeba
castellanii) 		PF00235
(Profilin) 		4 TYR A 119
LEU A 120
TRP A   2
ASN A   9
 None
 1.28A 4f8yC-2acgA:
undetectable
4f8yD-2acgA:
undetectable		 4f8yC-2acgA:
23.24
4f8yD-2acgA:
23.24
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.
2bvm TOXIN B

(Clostridioides
difficile) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		4 TYR A 284
LEU A 277
ASN A 384
TYR A 478
 None
None
GLC  A1544 (-3.8A)
None
 1.40A 4f8yC-2bvmA:
undetectable
4f8yD-2bvmA:
undetectable		 4f8yC-2bvmA:
15.94
4f8yD-2bvmA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0v METHANOL
DEHYDROGENASE LARGE
SUBUNIT

(Hyphomicrobium
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 TYR A 256
LEU A 326
ASN A 342
TYR A 220
 None
 1.38A 4f8yC-2d0vA:
undetectable
4f8yD-2d0vA:
undetectable		 4f8yC-2d0vA:
16.17
4f8yD-2d0vA:
16.17
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ARG A 362
TYR A 378
LEU A 377
ASN A 119
 None
 1.40A 4f8yC-2g3nA:
undetectable
4f8yD-2g3nA:
undetectable		 4f8yC-2g3nA:
16.02
4f8yD-2g3nA:
16.02
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.
2im5 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Porphyromonas
gingivalis) 		PF04095
(NAPRTase) 		4 TYR A 225
TYR A 252
LEU A 389
ASN A 229
 None
 1.40A 4f8yC-2im5A:
undetectable
4f8yD-2im5A:
undetectable		 4f8yC-2im5A:
21.43
4f8yD-2im5A:
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.
2imj HYPOTHETICAL PROTEIN
DUF1348

(Pseudomonas
protegens) 		PF07080
(DUF1348) 		4 ARG A  51
TYR A  93
TYR A  95
LEU A  77
 None
ACT  A 201 (-4.0A)
ACT  A 201 (-3.8A)
ACT  A 201 ( 4.6A)
 1.40A 4f8yC-2imjA:
undetectable
4f8yD-2imjA:
undetectable		 4f8yC-2imjA:
23.53
4f8yD-2imjA:
23.53
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.
2imj HYPOTHETICAL PROTEIN
DUF1348

(Pseudomonas
protegens) 		PF07080
(DUF1348) 		4 TYR A  93
TYR A  95
LEU A  77
TYR A  42
 ACT  A 201 (-4.0A)
ACT  A 201 (-3.8A)
ACT  A 201 ( 4.6A)
None
 1.28A 4f8yC-2imjA:
undetectable
4f8yD-2imjA:
undetectable		 4f8yC-2imjA:
23.53
4f8yD-2imjA:
23.53
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ARG A 614
TYR A 636
TYR A 634
TRP A 710
 None
 1.33A 4f8yC-2iukA:
undetectable
4f8yD-2iukA:
undetectable		 4f8yC-2iukA:
12.27
4f8yD-2iukA:
12.27
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.
2khq INTEGRASE

(Staphylococcus
saprophyticus) 		PF14659
(Phage_int_SAM_3) 		4 TYR A   7
LEU A  44
ASN A  91
TYR A  52
 None
 1.35A 4f8yC-2khqA:
undetectable
4f8yD-2khqA:
undetectable		 4f8yC-2khqA:
22.45
4f8yD-2khqA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2l4o CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF16555
(GramPos_pilinD1) 		4 TYR A 139
LEU A 170
TRP A  83
ASN A 133
 None
 1.40A 4f8yC-2l4oA:
undetectable
4f8yD-2l4oA:
undetectable		 4f8yC-2l4oA:
25.00
4f8yD-2l4oA:
25.00
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.
2nm1 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 TYR A1140
LEU A1139
ASN A1000
TYR A 937
 None
 1.26A 4f8yC-2nm1A:
undetectable
4f8yD-2nm1A:
undetectable		 4f8yC-2nm1A:
16.89
4f8yD-2nm1A:
16.89
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.
2np0 BOTULINUM NEUROTOXIN
TYPE B

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07951
(Toxin_R_bind_C)
PF07952
(Toxin_trans)
PF07953
(Toxin_R_bind_N) 		4 TYR A1139
LEU A1138
ASN A 999
TYR A 936
 None
 1.25A 4f8yC-2np0A:
undetectable
4f8yD-2np0A:
undetectable		 4f8yC-2np0A:
9.44
4f8yD-2np0A:
9.44
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.
2ozz HYPOTHETICAL PROTEIN
YHFZ

(Shigella
flexneri) 		PF14503
(YhfZ_C) 		4 ARG A  54
TYR A  27
TYR A  93
TYR A 141
 SO4  A 229 (-2.6A)
None
None
None
 1.27A 4f8yC-2ozzA:
undetectable
4f8yD-2ozzA:
undetectable		 4f8yC-2ozzA:
21.49
4f8yD-2ozzA:
21.49
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.
2vk9 ALPHA-TOXIN

(Clostridium
novyi) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		4 TYR A 253
TYR A 254
LEU A 257
ASN A 136
 None
 1.29A 4f8yC-2vk9A:
undetectable
4f8yD-2vk9A:
undetectable		 4f8yC-2vk9A:
14.56
4f8yD-2vk9A:
14.56
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.
2vl8 CYTOTOXIN L

(Paeniclostridium
sordellii) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		4 TYR A 284
LEU A 277
ASN A 384
TYR A 478
 None
None
CTS  A1544 (-3.9A)
None
 1.37A 4f8yC-2vl8A:
undetectable
4f8yD-2vl8A:
undetectable		 4f8yC-2vl8A:
14.63
4f8yD-2vl8A:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vxr BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 TYR A1146
LEU A1145
ASN A1007
TYR A 944
 None
 1.20A 4f8yC-2vxrA:
undetectable
4f8yD-2vxrA:
undetectable		 4f8yC-2vxrA:
15.67
4f8yD-2vxrA:
15.67
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		4 TYR A  64
TYR A  15
LEU A  68
TRP A 380
 None
 1.11A 4f8yC-2wc7A:
undetectable
4f8yD-2wc7A:
undetectable		 4f8yC-2wc7A:
16.53
4f8yD-2wc7A:
16.53
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.
2zt9 CYTOCHROME B6
CYTOCHROME B6-F
COMPLEX SUBUNIT 4

(Nostoc sp. PCC
7120) 		PF00032
(Cytochrom_B_C)
PF00033
(Cytochrome_B) 		4 ARG A  87
TYR B  80
LEU B  81
TYR A 183
 HEM  A 301 (-3.6A)
None
None
None
 1.13A 4f8yC-2zt9A:
undetectable
4f8yD-2zt9A:
undetectable		 4f8yC-2zt9A:
22.62
4f8yD-2zt9A:
22.62
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.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		4 TYR A  31
LEU A  38
TRP A  59
TYR A  52
 None
 1.22A 4f8yC-3czeA:
undetectable
4f8yD-3czeA:
undetectable		 4f8yC-3czeA:
13.76
4f8yD-3czeA:
13.76
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.
3dwk PENICILLIN-BINDING
PROTEIN 2

(Staphylococcus
aureus) 		PF00905
(Transpeptidase)
PF00912
(Transgly) 		4 TYR A 226
TYR A 211
LEU A 227
TYR A 191
 None
 1.38A 4f8yC-3dwkA:
undetectable
4f8yD-3dwkA:
undetectable		 4f8yC-3dwkA:
15.36
4f8yD-3dwkA:
15.36
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.
3gwn PROBABLE FAD-LINKED
SULFHYDRYL OXIDASE
R596

(Acanthamoeba
polyphaga
mimivirus) 		PF04777
(Evr1_Alr) 		4 TYR A  67
LEU A 109
ASN A  48
TYR A  87
 None
None
None
FAD  A 334 ( 4.8A)
 1.40A 4f8yC-3gwnA:
undetectable
4f8yD-3gwnA:
undetectable		 4f8yC-3gwnA:
21.28
4f8yD-3gwnA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9f PUTATIVE TYPE 11
METHYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF08241
(Methyltransf_11) 		4 TYR A  45
LEU A  94
ASN A  97
TYR A 147
 None
 0.90A 4f8yC-3i9fA:
2.9
4f8yD-3i9fA:
3.0		 4f8yC-3i9fA:
21.96
4f8yD-3i9fA:
21.96
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.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 TYR A  68
TYR A  86
LEU A  90
TYR A 324
 None
 1.18A 4f8yC-3iv0A:
undetectable
4f8yD-3iv0A:
undetectable		 4f8yC-3iv0A:
16.01
4f8yD-3iv0A:
16.01
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.
3jaf GLYCINE RECEPTOR
SUBUNIT ALPHAZ1

(Danio rerio) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		4 TYR A 144
LEU A 106
TRP A  84
TYR A  40
 None
 1.34A 4f8yC-3jafA:
undetectable
4f8yD-3jafA:
undetectable		 4f8yC-3jafA:
21.08
4f8yD-3jafA:
21.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3lcm PUTATIVE
OXIDOREDUCTASE

(Streptococcus
mutans) 		PF02525
(Flavodoxin_2) 		4 ARG A  55
TYR A 106
TYR A 108
LEU A 113
 NAP  A 198 ( 4.1A)
NAP  A 198 (-4.2A)
NAP  A 198 (-4.4A)
None
 0.34A 4f8yC-3lcmA:
34.7
4f8yD-3lcmA:
32.9		 4f8yC-3lcmA:
100.00
4f8yD-3lcmA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mkq COATOMER
BETA'-SUBUNIT

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04053
(Coatomer_WDAD) 		4 ARG A 581
TYR A 586
LEU A 345
ASN A 336
 None
 1.29A 4f8yC-3mkqA:
undetectable
4f8yD-3mkqA:
undetectable		 4f8yC-3mkqA:
13.59
4f8yD-3mkqA:
13.59
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.
3mpp BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		4 TYR G1146
LEU G1145
ASN G1007
TYR G 944
 None
 1.22A 4f8yC-3mppG:
undetectable
4f8yD-3mppG:
undetectable		 4f8yC-3mppG:
16.97
4f8yD-3mppG:
16.97
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.
3o0r NITRIC OXIDE
REDUCTASE SUBUNIT B

(Pseudomonas
aeruginosa) 		PF00115
(COX1) 		4 TYR B 112
TYR B 117
LEU B 120
ASN B 126
 None
 1.23A 4f8yC-3o0rB:
undetectable
4f8yD-3o0rB:
undetectable		 4f8yC-3o0rB:
16.06
4f8yD-3o0rB:
16.06
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.
3oee ATP SYNTHASE SUBUNIT
ALPHA

(Saccharomyces
cerevisiae) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		4 ARG A 306
TYR A 246
TYR A 280
LEU A 283
 None
 1.39A 4f8yC-3oeeA:
undetectable
4f8yD-3oeeA:
undetectable		 4f8yC-3oeeA:
16.63
4f8yD-3oeeA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qom 6-PHOSPHO-BETA-GLUCO
SIDASE

(Lactobacillus
plantarum) 		PF00232
(Glyco_hydro_1) 		4 ARG A 439
LEU A 455
ASN A 448
TYR A  60
 None
 1.14A 4f8yC-3qomA:
undetectable
4f8yD-3qomA:
undetectable		 4f8yC-3qomA:
16.80
4f8yD-3qomA:
16.80
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.
3rko NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT J
NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT N

(Escherichia
coli) 		no annotation 4 ARG J 160
TYR N  98
TYR N 145
LEU N  95
 None
 1.37A 4f8yC-3rkoJ:
undetectable
4f8yD-3rkoJ:
undetectable		 4f8yC-3rkoJ:
25.33
4f8yD-3rkoJ:
25.33
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.
3u44 ATP-DEPENDENT
HELICASE/DEOXYRIBONU
CLEASE SUBUNIT B

(Bacillus
subtilis) 		PF12705
(PDDEXK_1) 		4 TYR B 432
LEU B 429
TRP B 443
ASN B 475
 None
 1.14A 4f8yC-3u44B:
undetectable
4f8yD-3u44B:
undetectable		 4f8yC-3u44B:
10.21
4f8yD-3u44B:
10.21
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.
3vea MACRODOMAIN TER
PROTEIN

(Yersinia pestis) 		no annotation 4 ARG B  82
TYR B  30
LEU B  31
ASN B  76
 None
 1.28A 4f8yC-3veaB:
undetectable
4f8yD-3veaB:
undetectable		 4f8yC-3veaB:
21.05
4f8yD-3veaB:
21.05
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.
3vjj P9-1

(Rice black
streaked dwarf
virus) 		PF06043
(Reo_P9) 		4 ARG A 286
TYR A  33
LEU A  68
ASN A 233
 None
 1.30A 4f8yC-3vjjA:
undetectable
4f8yD-3vjjA:
undetectable		 4f8yC-3vjjA:
16.58
4f8yD-3vjjA:
16.58
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.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		4 TYR A 493
TYR A 561
LEU A 556
TYR A 537
 None
 1.20A 4f8yC-3vmnA:
undetectable
4f8yD-3vmnA:
undetectable		 4f8yC-3vmnA:
16.49
4f8yD-3vmnA:
16.49
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.
3vn5 RIBONUCLEASE HIII

(Aquifex
aeolicus) 		PF01351
(RNase_HII) 		4 TYR A 142
TYR A 146
ASN A 151
TYR A 181
 None
 1.36A 4f8yC-3vn5A:
undetectable
4f8yD-3vn5A:
undetectable		 4f8yC-3vn5A:
19.62
4f8yD-3vn5A:
19.62
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.
3vr0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		4 ARG A  97
TYR A 165
TYR A 164
LEU A 161
 None
 1.18A 4f8yC-3vr0A:
2.1
4f8yD-3vr0A:
1.9		 4f8yC-3vr0A:
22.85
4f8yD-3vr0A:
22.85
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.
3zse ENDO-1,4-BETA-XYLANA
SE

(Thermobifida
fusca) 		PF00457
(Glyco_hydro_11) 		4 TYR A 128
LEU A 117
TRP A  93
TYR A  77
 None
None
EDO  A1234 (-4.1A)
None
 1.34A 4f8yC-3zseA:
undetectable
4f8yD-3zseA:
undetectable		 4f8yC-3zseA:
19.91
4f8yD-3zseA:
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.
3zth STU0660

(Streptococcus
thermophilus) 		PF16813
(Cas_St_Csn2) 		4 TYR A  47
LEU A  52
TRP A  40
TYR A  33
 None
 1.22A 4f8yC-3zthA:
undetectable
4f8yD-3zthA:
undetectable		 4f8yC-3zthA:
19.71
4f8yD-3zthA:
19.71
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 TYR A 269
TYR A 255
LEU A 273
ASN A 233
 None
 1.39A 4f8yC-3zu0A:
undetectable
4f8yD-3zu0A:
undetectable		 4f8yC-3zu0A:
15.45
4f8yD-3zu0A:
15.45
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.
4aee ALPHA AMYLASE,
CATALYTIC REGION

(Staphylothermus
marinus) 		PF00128
(Alpha-amylase) 		4 TYR A 568
TYR A 567
LEU A 574
ASN A 582
 None
 1.35A 4f8yC-4aeeA:
undetectable
4f8yD-4aeeA:
undetectable		 4f8yC-4aeeA:
13.27
4f8yD-4aeeA:
13.27
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.
4ber PHOSPHOCHOLINE
TRANSFERASE ANKX

(Legionella
pneumophila) 		PF02661
(Fic)
PF12796
(Ank_2) 		4 TYR A 299
TYR A 359
LEU A 298
TYR A  17
 None
 0.97A 4f8yC-4berA:
undetectable
4f8yD-4berA:
undetectable		 4f8yC-4berA:
18.94
4f8yD-4berA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c2k 3-KETOACYL-COA
THIOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ARG A 189
TYR A 327
TYR A 182
LEU A 328
 None
 1.39A 4f8yC-4c2kA:
undetectable
4f8yD-4c2kA:
undetectable		 4f8yC-4c2kA:
17.51
4f8yD-4c2kA:
17.51
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.
4cu2 ENDOLYSIN

(Clostridium
phage phiCTP1) 		no annotation 4 TYR A 269
TYR A 237
LEU A 213
ASN A 197
 None
 1.08A 4f8yC-4cu2A:
3.2
4f8yD-4cu2A:
3.3		 4f8yC-4cu2A:
23.33
4f8yD-4cu2A:
23.33
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.
4cxk ARYLSULFATASE

(Pseudomonas
aeruginosa) 		PF00884
(Sulfatase) 		4 TYR A 164
LEU A 135
ASN A 141
TYR A 149
 None
 1.37A 4f8yC-4cxkA:
1.4
4f8yD-4cxkA:
undetectable		 4f8yC-4cxkA:
16.33
4f8yD-4cxkA:
16.33
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.
4gn8 REGUCALCIN

(Mus musculus) 		PF08450
(SGL) 		4 ARG A 101
LEU A 171
ASN A 154
TYR A 167
 ASO  A 305 (-3.0A)
None
CA  A 301 ( 2.4A)
None
 1.28A 4f8yC-4gn8A:
undetectable
4f8yD-4gn8A:
undetectable		 4f8yC-4gn8A:
19.40
4f8yD-4gn8A:
19.40
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.
4hu8 GH10 XYLANASE

(Globitermes
brachycerastes) 		PF00331
(Glyco_hydro_10)
PF02368
(Big_2) 		4 ARG A 426
TRP A 246
ASN A 299
TYR A 284
 None
None
GOL  A 502 (-4.6A)
None
 1.23A 4f8yC-4hu8A:
undetectable
4f8yD-4hu8A:
undetectable		 4f8yC-4hu8A:
18.20
4f8yD-4hu8A:
18.20
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.
4l5o PUTATIVE GLUTATHIONE
TRANSFERASE

(Clonorchis
sinensis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 TYR A  57
LEU A  50
TRP A  41
ASN A  47
 None
None
GSH  A 301 (-4.1A)
None
 1.24A 4f8yC-4l5oA:
undetectable
4f8yD-4l5oA:
undetectable		 4f8yC-4l5oA:
18.07
4f8yD-4l5oA:
18.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nzr PROTEIN M TD

(Mycoplasma
genitalium) 		no annotation 4 TYR M 377
TYR M 394
LEU M 423
ASN M 442
 None
 1.38A 4f8yC-4nzrM:
undetectable
4f8yD-4nzrM:
undetectable		 4f8yC-4nzrM:
17.79
4f8yD-4nzrM:
17.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pm3 AM32

(Enterococcus
faecalis) 		no annotation 4 TYR A  43
TYR A  30
LEU A  38
ASN A  33
 None
 1.37A 4f8yC-4pm3A:
undetectable
4f8yD-4pm3A:
undetectable		 4f8yC-4pm3A:
21.47
4f8yD-4pm3A:
21.47
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.
4qbj GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Aspergillus
fumigatus) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 TYR A 263
LEU A 436
ASN A 434
TYR A 374
 2XQ  A 505 (-3.8A)
2XQ  A 505 ( 4.4A)
2XQ  A 505 (-3.9A)
None
 1.35A 4f8yC-4qbjA:
undetectable
4f8yD-4qbjA:
undetectable		 4f8yC-4qbjA:
17.87
4f8yD-4qbjA:
17.87
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.
4qbj GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Aspergillus
fumigatus) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 TYR A 263
LEU A 457
ASN A 434
TYR A 374
 2XQ  A 505 (-3.8A)
None
2XQ  A 505 (-3.9A)
None
 1.24A 4f8yC-4qbjA:
undetectable
4f8yD-4qbjA:
undetectable		 4f8yC-4qbjA:
17.87
4f8yD-4qbjA:
17.87
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.
4qgo DNA-ENTRY NUCLEASE
(COMPETENCE-SPECIFIC
NUCLEASE)

(Streptococcus
agalactiae) 		PF01223
(Endonuclease_NS) 		4 TYR A 191
TYR A 192
LEU A 195
ASN A  75
 None
 1.27A 4f8yC-4qgoA:
undetectable
4f8yD-4qgoA:
undetectable		 4f8yC-4qgoA:
20.08
4f8yD-4qgoA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qgo DNA-ENTRY NUCLEASE
(COMPETENCE-SPECIFIC
NUCLEASE)

(Streptococcus
agalactiae) 		PF01223
(Endonuclease_NS) 		4 TYR A 192
TYR A 191
ASN A  67
TYR A  65
 None
 1.37A 4f8yC-4qgoA:
undetectable
4f8yD-4qgoA:
undetectable		 4f8yC-4qgoA:
20.08
4f8yD-4qgoA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		4 TYR A 393
LEU A 370
ASN A  43
TYR A  33
 None
 1.07A 4f8yC-4r04A:
4.7
4f8yD-4r04A:
4.9		 4f8yC-4r04A:
6.75
4f8yD-4r04A:
6.75
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.
4rl9 CARBAPENEM-ASSOCIATE
D RESISTANCE PROTEIN

(Acinetobacter
baumannii) 		no annotation 4 TYR A 173
LEU A 104
ASN A  72
TYR A  48
 None
 1.34A 4f8yC-4rl9A:
undetectable
4f8yD-4rl9A:
undetectable		 4f8yC-4rl9A:
23.08
4f8yD-4rl9A:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rtb HYDG PROTEIN

(Carboxydothermus
hydrogenoformans) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 TYR A 250
LEU A 251
ASN A 213
TYR A 173
 None
 1.36A 4f8yC-4rtbA:
undetectable
4f8yD-4rtbA:
undetectable		 4f8yC-4rtbA:
16.81
4f8yD-4rtbA:
16.81
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.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 4 TYR B 284
LEU B 353
ASN B 366
TYR B 248
 None
 1.13A 4f8yC-4tqoB:
undetectable
4f8yD-4tqoB:
undetectable		 4f8yC-4tqoB:
16.08
4f8yD-4tqoB:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yn5 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus sp.
JAMB750) 		PF02156
(Glyco_hydro_26) 		4 TYR A 341
LEU A 389
ASN A 332
TYR A 368
 None
 1.37A 4f8yC-4yn5A:
undetectable
4f8yD-4yn5A:
1.1		 4f8yC-4yn5A:
17.87
4f8yD-4yn5A:
17.87
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.
4zbl PHOTOSESITIZER
MKILLERORANGE

(Hydrozoa) 		PF01353
(GFP) 		4 ARG A  94
TYR A 110
LEU A  90
TYR A  74
 4M9  A  65 ( 2.7A)
4M9  A  65 ( 4.2A)
None
None
 1.34A 4f8yC-4zblA:
undetectable
4f8yD-4zblA:
undetectable		 4f8yC-4zblA:
20.32
4f8yD-4zblA:
20.32
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 TYR A 602
TYR A 603
LEU A 606
ASN A 649
 None
 1.21A 4f8yC-4zhjA:
3.6
4f8yD-4zhjA:
3.4		 4f8yC-4zhjA:
8.81
4f8yD-4zhjA:
8.81
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.
5b86 TUMOR NECROSIS
FACTOR ALPHA-INDUCED
PROTEIN 2

(Mus musculus) 		PF06046
(Sec6) 		4 TYR A 397
LEU A 453
TRP A 339
ASN A 423
 None
 1.29A 4f8yC-5b86A:
undetectable
4f8yD-5b86A:
undetectable		 4f8yC-5b86A:
14.83
4f8yD-5b86A:
14.83
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.
5byk SULFOTRANSFERASE

(Schistosoma
mansoni) 		no annotation 4 TYR A  36
TYR A  86
LEU A  83
TRP A  52
 None
 1.33A 4f8yC-5bykA:
undetectable
4f8yD-5bykA:
undetectable		 4f8yC-5bykA:
22.10
4f8yD-5bykA:
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.
5c24 HIV-1 REVERSE
TRANSCRIPTASE, P51
SUBUNIT

(Human
immunodeficiency
virus 1) 		PF00078
(RVT_1)
PF06815
(RVT_connect)
PF06817
(RVT_thumb) 		4 ARG B 358
TYR B 232
LEU B 234
TYR B 339
 None
 1.29A 4f8yC-5c24B:
undetectable
4f8yD-5c24B:
undetectable		 4f8yC-5c24B:
17.96
4f8yD-5c24B:
17.96
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
8

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		4 TYR B 567
TYR B 571
LEU B 596
TYR B 511
 None
 1.12A 4f8yC-5do7B:
undetectable
4f8yD-5do7B:
undetectable		 4f8yC-5do7B:
13.77
4f8yD-5do7B:
13.77
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ARG B 521
LEU B 101
ASN B 596
TYR B 561
 None
 1.24A 4f8yC-5fq6B:
undetectable
4f8yD-5fq6B:
undetectable		 4f8yC-5fq6B:
10.24
4f8yD-5fq6B:
10.24
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.
5g5t ARGONAUTE

(Methanocaldococcus
jannaschii) 		PF02171
(Piwi) 		4 ARG A 641
TYR A 497
LEU A 659
ASN A 653
 None
 1.13A 4f8yC-5g5tA:
undetectable
4f8yD-5g5tA:
2.9		 4f8yC-5g5tA:
14.10
4f8yD-5g5tA:
14.10
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.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		4 TYR A 290
LEU A 260
TRP A 389
TYR A 421
 None
 1.38A 4f8yC-5gxdA:
4.1
4f8yD-5gxdA:
4.0		 4f8yC-5gxdA:
16.61
4f8yD-5gxdA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		4 ARG A 140
TYR A 176
TYR A 174
TRP A  70
 None
 1.09A 4f8yC-5hy5A:
2.0
4f8yD-5hy5A:
2.0		 4f8yC-5hy5A:
15.97
4f8yD-5hy5A:
15.97
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.
5i3a TYROSINASE

(Bacillus
megaterium) 		PF00264
(Tyrosinase) 		4 ARG A 246
TRP A 238
ASN A 278
TYR A 284
 None
 1.29A 4f8yC-5i3aA:
undetectable
4f8yD-5i3aA:
undetectable		 4f8yC-5i3aA:
19.71
4f8yD-5i3aA:
19.71
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.
5id6 CPF1

(Lachnospiraceae
bacterium
ND2006) 		no annotation 4 TYR A1167
TYR A1162
ASN A1182
TYR A 840
 None
 1.32A 4f8yC-5id6A:
undetectable
4f8yD-5id6A:
undetectable		 4f8yC-5id6A:
10.23
4f8yD-5id6A:
10.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 TYR B 488
LEU B 817
ASN B 784
TYR B 190
 None
 1.08A 4f8yC-5ip9B:
undetectable
4f8yD-5ip9B:
undetectable		 4f8yC-5ip9B:
9.63
4f8yD-5ip9B:
9.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ixd INTERFERON LAMBDA
RECEPTOR 1
TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 4 TYR A 217
LEU A 190
TRP B 257
ASN A 226
 None
 1.24A 4f8yC-5ixdA:
undetectable
4f8yD-5ixdA:
undetectable		 4f8yC-5ixdA:
13.76
4f8yD-5ixdA:
13.76
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.
5j9c PEROXIREDOXIN ASP F3

(Aspergillus
fumigatus) 		PF08534
(Redoxin) 		4 TYR A  37
TYR A  18
LEU A 112
TRP A  43
 None
 1.28A 4f8yC-5j9cA:
undetectable
4f8yD-5j9cA:
undetectable		 4f8yC-5j9cA:
24.88
4f8yD-5j9cA:
24.88
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 TYR A1172
TYR A1196
LEU A1176
ASN A1192
 None
 1.34A 4f8yC-5lcwA:
undetectable
4f8yD-5lcwA:
undetectable		 4f8yC-5lcwA:
7.33
4f8yD-5lcwA:
7.33
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.
5mkk MULTIDRUG RESISTANCE
ABC TRANSPORTER
ATP-BINDING AND
PERMEASE PROTEIN

(Thermus
thermophilus) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 ARG B 209
TYR A 362
TYR A 410
LEU A 360
 None
 1.38A 4f8yC-5mkkB:
undetectable
4f8yD-5mkkB:
undetectable		 4f8yC-5mkkB:
13.67
4f8yD-5mkkB:
13.67
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.
5mr4 GDNF FAMILY RECEPTOR
ALPHA-2

(Homo sapiens) 		no annotation 4 TYR C 181
LEU C 204
ASN C 308
TYR C 297
 None
 1.34A 4f8yC-5mr4C:
undetectable
4f8yD-5mr4C:
undetectable		 4f8yC-5mr4C:
16.75
4f8yD-5mr4C:
16.75
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.
5no8 BACCELL_00875

(Bacteroides
cellulosilyticus) 		no annotation 4 TYR A 564
LEU A 555
ASN A 517
TYR A 487
 None
 1.39A 4f8yC-5no8A:
undetectable
4f8yD-5no8A:
undetectable		 4f8yC-5no8A:
14.41
4f8yD-5no8A:
14.41
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 TYR A 520
LEU A 524
TRP A 381
ASN A 508
 None
 1.19A 4f8yC-5t9gA:
undetectable
4f8yD-5t9gA:
undetectable		 4f8yC-5t9gA:
12.45
4f8yD-5t9gA:
12.45
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.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium) 		no annotation 4 TYR A  51
TYR A  95
LEU A  92
TRP A  67
 None
 1.34A 4f8yC-5tiwA:
undetectable
4f8yD-5tiwA:
undetectable		 4f8yC-5tiwA:
20.68
4f8yD-5tiwA:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w6m HISTIDINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		no annotation 4 ARG A 149
TYR A 363
LEU A 366
TYR A 129
 None
 1.20A 4f8yC-5w6mA:
undetectable
4f8yD-5w6mA:
undetectable		 4f8yC-5w6mA:
16.41
4f8yD-5w6mA:
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.
5y6t ENDO-1,4-BETA-MANNAN
ASE

(Eisenia fetida) 		no annotation 4 TYR A 256
LEU A 238
ASN A 178
TYR A 140
 None
None
TRS  A 401 (-2.8A)
None
 1.30A 4f8yC-5y6tA:
undetectable
4f8yD-5y6tA:
undetectable		 4f8yC-5y6tA:
16.23
4f8yD-5y6tA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E
PHASE 2
FLAGELLIN,FLAGELLIN

(Mus musculus;
Salmonella
enterica) 		no annotation 4 ARG C 430
TYR A 794
ASN A 787
TYR A 831
 None
 1.38A 4f8yC-5yudC:
undetectable
4f8yD-5yudC:
undetectable		 4f8yC-5yudC:
15.54
4f8yD-5yudC:
15.54
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.
6bff AMINOGLYCOSIDE
ACETYLTRANSFERASE

(Escherichia
coli) 		no annotation 4 TYR A  75
TYR A  85
LEU A  81
TRP A  53
 None
 1.22A 4f8yC-6bffA:
undetectable
4f8yD-6bffA:
undetectable		 4f8yC-6bffA:
21.30
4f8yD-6bffA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ARG A 316
TYR A 416
TYR A 412
LEU A 358
 None
 0.97A 4f8yC-6fhwA:
undetectable
4f8yD-6fhwA:
undetectable		 4f8yC-6fhwA:
18.82
4f8yD-6fhwA:
18.82