SIMILAR PATTERNS OF AMINO ACIDS FOR 4F8Y_B_VK3B202_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 ASN A 247
ARG A 413
TYR A 483
TYR A 485
 ACT  A 518 (-3.3A)
ACT  A 518 ( 4.3A)
None
None
 1.30A 4f8yA-1b2hA:
undetectable
4f8yB-1b2hA:
undetectable		 4f8yA-1b2hA:
16.96
4f8yB-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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 ASN A 704
TYR A 727
TYR A 723
LEU A 773
 None
 1.49A 4f8yA-1g8kA:
2.9
4f8yB-1g8kA:
1.3		 4f8yA-1g8kA:
12.61
4f8yB-1g8kA:
12.61
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.
1jv1 GLCNAC1P
URIDYLTRANSFERASE
ISOFORM 1: AGX1

(Homo sapiens) 		PF01704
(UDPGP) 		4 ASN A 417
ARG A 422
TYR A 125
LEU A 116
 None
 1.49A 4f8yA-1jv1A:
undetectable
4f8yB-1jv1A:
undetectable		 4f8yA-1jv1A:
16.04
4f8yB-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 ASN A  93
TYR A 149
TYR A 150
LEU A 153
 None
 1.23A 4f8yA-1lt3A:
undetectable
4f8yB-1lt3A:
undetectable		 4f8yA-1lt3A:
19.72
4f8yB-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 ASN A  93
TYR A 149
TYR A 150
LEU A 153
 None
 1.25A 4f8yA-1lttA:
undetectable
4f8yB-1lttA:
undetectable		 4f8yA-1lttA:
18.72
4f8yB-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.
1n76 LACTOFERRIN

(Homo sapiens) 		PF00405
(Transferrin) 		4 ASN A 640
ARG A 465
TYR A 435
TYR A 528
 None
CO3  A 696 (-4.1A)
FE  A 694 ( 4.1A)
CO3  A 696 ( 4.2A)
 1.40A 4f8yA-1n76A:
undetectable
4f8yB-1n76A:
undetectable		 4f8yA-1n76A:
14.24
4f8yB-1n76A:
14.24
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.
1pjq SIROHEME SYNTHASE

(Salmonella
enterica) 		PF00590
(TP_methylase)
PF10414
(CysG_dimeriser)
PF13241
(NAD_binding_7)
PF14824
(Sirohm_synth_M) 		4 ASN A 201
ARG A 164
TYR A 157
LEU A 188
 None
 1.13A 4f8yA-1pjqA:
3.2
4f8yB-1pjqA:
3.3		 4f8yA-1pjqA:
17.69
4f8yB-1pjqA:
17.69
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.
1s5f CHOLERA ENTEROTOXIN,
A CHAIN

(Vibrio cholerae) 		PF01375
(Enterotoxin_a) 		4 ASN A  93
TYR A 149
TYR A 150
LEU A 153
 None
 1.17A 4f8yA-1s5fA:
undetectable
4f8yB-1s5fA:
undetectable		 4f8yA-1s5fA:
21.18
4f8yB-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.
2acg PROFILIN II

(Acanthamoeba
castellanii) 		PF00235
(Profilin) 		4 TRP A   2
ASN A   9
TYR A 119
LEU A 120
 None
 1.25A 4f8yA-2acgA:
undetectable
4f8yB-2acgA:
undetectable		 4f8yA-2acgA:
23.24
4f8yB-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.
2b24 NAPHTHALENE
DIOXYGENASE LARGE
SUBUNIT

(Rhodococcus sp.
NCIMB 12038) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 TRP A  21
ASN A 423
TYR A 415
LEU A 402
 None
 1.44A 4f8yA-2b24A:
undetectable
4f8yB-2b24A:
undetectable		 4f8yA-2b24A:
16.28
4f8yB-2b24A:
16.28
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.
2c79 GLYCOSIDE HYDROLASE,
FAMILY
11:CLOSTRIDIUM
CELLULOSOME ENZYME,
DOCKERIN TYPE
I:POLYSACCHARIDE

(Ruminiclostridium
thermocellum) 		PF01522
(Polysacc_deac_1) 		4 ASN A 619
ARG A 622
TYR A 655
LEU A 650
 None
 1.31A 4f8yA-2c79A:
undetectable
4f8yB-2c79A:
undetectable		 4f8yA-2c79A:
25.41
4f8yB-2c79A:
25.41
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 ASN A 119
ARG A 362
TYR A 378
LEU A 377
 None
 1.39A 4f8yA-2g3nA:
undetectable
4f8yB-2g3nA:
undetectable		 4f8yA-2g3nA:
16.02
4f8yB-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.
2gai DNA TOPOISOMERASE I

(Thermotoga
maritima) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		4 ASN A 158
TYR A 502
TYR A 497
LEU A 151
 None
 1.47A 4f8yA-2gaiA:
undetectable
4f8yB-2gaiA:
undetectable		 4f8yA-2gaiA:
15.56
4f8yB-2gaiA:
15.56
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.
2l4o CELL WALL SURFACE
ANCHOR FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF16555
(GramPos_pilinD1) 		4 TRP A  83
ASN A 133
TYR A 139
LEU A 170
 None
 1.43A 4f8yA-2l4oA:
undetectable
4f8yB-2l4oA:
undetectable		 4f8yA-2l4oA:
25.00
4f8yB-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.
2nd9 MID-CELL-ANCHORED
PROTEIN Z

(Streptococcus
pneumoniae) 		no annotation 4 ASN A 121
TYR A  32
TYR A  36
LEU A  78
 None
 1.42A 4f8yA-2nd9A:
undetectable
4f8yB-2nd9A:
undetectable		 4f8yA-2nd9A:
21.61
4f8yB-2nd9A:
21.61
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.
2nq5 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Streptococcus
mutans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 TRP A 123
ASN A  77
TYR A 160
LEU A 177
 None
 1.47A 4f8yA-2nq5A:
undetectable
4f8yB-2nq5A:
undetectable		 4f8yA-2nq5A:
14.02
4f8yB-2nq5A:
14.02
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.
2p24 H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN, A-U ALPHA
CHAIN
H-2 CLASS II
HISTOCOMPATIBILITY
ANTIGEN, A-U BETA
CHAIN

(Mus musculus) 		PF00969
(MHC_II_beta)
PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		4 ASN A  69
TYR B 147
TYR B 161
LEU B 138
 None
 1.39A 4f8yA-2p24A:
undetectable
4f8yB-2p24A:
undetectable		 4f8yA-2p24A:
21.57
4f8yB-2p24A:
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.
2r15 MYOMESIN-1

(Homo sapiens) 		PF07679
(I-set) 		4 ASN A1495
ARG A1500
TYR A1529
LEU A1546
 None
 1.47A 4f8yA-2r15A:
undetectable
4f8yB-2r15A:
undetectable		 4f8yA-2r15A:
19.30
4f8yB-2r15A:
19.30
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.
2vk9 ALPHA-TOXIN

(Clostridium
novyi) 		PF12918
(TcdB_N)
PF12919
(TcdA_TcdB) 		4 ASN A 136
TYR A 253
TYR A 254
LEU A 257
 None
 1.29A 4f8yA-2vk9A:
undetectable
4f8yB-2vk9A:
undetectable		 4f8yA-2vk9A:
14.56
4f8yB-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.
2wrt GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME 51

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 TRP A  41
ASN A  47
TYR A  57
LEU A  50
 None
 1.47A 4f8yA-2wrtA:
undetectable
4f8yB-2wrtA:
undetectable		 4f8yA-2wrtA:
21.05
4f8yB-2wrtA:
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		4 ARG A 549
TYR A 617
TYR A 514
LEU A 858
 None
 1.39A 4f8yA-2zxqA:
undetectable
4f8yB-2zxqA:
undetectable		 4f8yA-2zxqA:
10.09
4f8yB-2zxqA:
10.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dtz PUTATIVE CHLORITE
DISMUTASE TA0507

(Thermoplasma
acidophilum) 		PF06778
(Chlor_dismutase) 		4 ASN A  46
TYR A 101
TYR A 162
LEU A 108
 None
 1.36A 4f8yA-3dtzA:
undetectable
4f8yB-3dtzA:
undetectable		 4f8yA-3dtzA:
22.00
4f8yB-3dtzA:
22.00
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.
3h1q ETHANOLAMINE
UTILIZATION PROTEIN
EUTJ

(Carboxydothermus
hydrogenoformans) 		PF14450
(FtsA) 		4 TRP A  55
ASN A  11
TYR A 235
LEU A 258
 None
None
ATP  A 301 (-4.3A)
ATP  A 301 (-3.8A)
 1.37A 4f8yA-3h1qA:
undetectable
4f8yB-3h1qA:
undetectable		 4f8yA-3h1qA:
20.22
4f8yB-3h1qA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4j SNF1-LIKE PROTEIN
KINASE SSP2

(Schizosaccharomyces
pombe) 		no annotation 4 ASN B 167
ARG B 135
TYR B 292
LEU B 352
 None
 1.46A 4f8yA-3h4jB:
undetectable
4f8yB-3h4jB:
undetectable		 4f8yA-3h4jB:
22.55
4f8yB-3h4jB:
22.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ifs GLUCOSE-6-PHOSPHATE
ISOMERASE

(Bacillus
anthracis) 		PF00342
(PGI) 		4 ASN A 102
ARG A  90
TYR A 125
LEU A 129
 None
 1.46A 4f8yA-3ifsA:
3.5
4f8yB-3ifsA:
3.3		 4f8yA-3ifsA:
18.90
4f8yB-3ifsA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l1p POU DOMAIN, CLASS 5,
TRANSCRIPTION FACTOR
1

(Mus musculus) 		PF00046
(Homeobox)
PF00157
(Pou) 		4 TRP A  70
ASN A  76
TYR A  25
LEU A  23
 None
 1.49A 4f8yA-3l1pA:
undetectable
4f8yB-3l1pA:
undetectable		 4f8yA-3l1pA:
23.41
4f8yB-3l1pA:
23.41
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
 0.43A 4f8yA-3lcmA:
35.5
4f8yB-3lcmA:
33.2		 4f8yA-3lcmA:
100.00
4f8yB-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.
3mes CHOLINE KINASE

(Cryptosporidium
parvum) 		PF01633
(Choline_kinase) 		4 ASN A 134
ARG A 282
TYR A 286
LEU A 130
 None
 1.23A 4f8yA-3mesA:
undetectable
4f8yB-3mesA:
undetectable		 4f8yA-3mesA:
17.99
4f8yB-3mesA:
17.99
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.
3mx3 SUSD HOMOLOG

(Bacteroides
fragilis) 		PF12771
(SusD-like_2) 		4 TRP A 470
ASN A 460
TYR A 440
LEU A  64
 EPE  A 602 ( 3.8A)
None
None
None
 1.14A 4f8yA-3mx3A:
undetectable
4f8yB-3mx3A:
undetectable		 4f8yA-3mx3A:
18.26
4f8yB-3mx3A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nqh GLYCOSYL HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF04616
(Glyco_hydro_43) 		4 TRP A  33
ASN A  42
TYR A  75
LEU A  57
 None
 1.44A 4f8yA-3nqhA:
undetectable
4f8yB-3nqhA:
undetectable		 4f8yA-3nqhA:
18.65
4f8yB-3nqhA:
18.65
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		4 TRP A 551
ASN A 642
TYR A 231
LEU A 647
 None
 1.50A 4f8yA-3rdeA:
undetectable
4f8yB-3rdeA:
undetectable		 4f8yA-3rdeA:
13.94
4f8yB-3rdeA:
13.94
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.
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
 1.46A 4f8yA-3rkoJ:
undetectable
4f8yB-3rkoJ:
undetectable		 4f8yA-3rkoJ:
25.33
4f8yB-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.
3sma FRBF

(Streptomyces
rubellomurinus) 		PF02522
(Antibiotic_NAT) 		4 ASN A 141
ARG A 209
TYR A 197
TYR A 229
 None
 1.19A 4f8yA-3smaA:
undetectable
4f8yB-3smaA:
undetectable		 4f8yA-3smaA:
17.86
4f8yB-3smaA:
17.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		4 ASN A 219
TYR A 348
TYR A 344
LEU A 326
 None
 1.25A 4f8yA-3up4A:
3.5
4f8yB-3up4A:
3.1		 4f8yA-3up4A:
14.94
4f8yB-3up4A:
14.94
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.
3up4 OTEMO

(Pseudomonas
putida) 		PF00743
(FMO-like) 		4 ASN A 540
ARG A 481
TYR A 420
LEU A 421
 None
 1.25A 4f8yA-3up4A:
3.5
4f8yB-3up4A:
3.1		 4f8yA-3up4A:
14.94
4f8yB-3up4A:
14.94
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.
3utk LIPOPROTEIN OUTS

(Dickeya
dadantii) 		PF09691
(T2SS_PulS_OutS) 		4 TRP A  85
ASN A  78
TYR A  90
LEU A  47
 None
 1.35A 4f8yA-3utkA:
undetectable
4f8yB-3utkA:
undetectable		 4f8yA-3utkA:
22.63
4f8yB-3utkA:
22.63
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.
3vh0 UNCHARACTERIZED
PROTEIN YNCE

(Escherichia
coli) 		no annotation 4 ASN A  53
TYR A 329
TYR A  48
LEU A  55
 None
 1.40A 4f8yA-3vh0A:
undetectable
4f8yB-3vh0A:
undetectable		 4f8yA-3vh0A:
20.67
4f8yB-3vh0A:
20.67
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.
3vjj P9-1

(Rice black
streaked dwarf
virus) 		PF06043
(Reo_P9) 		4 ASN A 233
ARG A 286
TYR A  33
LEU A  68
 None
 1.39A 4f8yA-3vjjA:
undetectable
4f8yB-3vjjA:
undetectable		 4f8yA-3vjjA:
16.58
4f8yB-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.
3vr0 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09754
(PAC2) 		4 ARG A  97
TYR A 165
TYR A 164
LEU A 161
 None
 1.11A 4f8yA-3vr0A:
2.2
4f8yB-3vr0A:
2.1		 4f8yA-3vr0A:
22.85
4f8yB-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.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum) 		PF01301
(Glyco_hydro_35) 		4 ASN A 459
TYR A 470
TYR A 582
LEU A 468
 NAG  A 803 (-2.0A)
None
None
None
 1.25A 4f8yA-3w5fA:
undetectable
4f8yB-3w5fA:
undetectable		 4f8yA-3w5fA:
14.24
4f8yB-3w5fA:
14.24
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.
3zs6 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Burkholderia
pseudomallei) 		PF00496
(SBP_bac_5) 		4 ARG A 499
TYR A 457
TYR A 191
LEU A 195
 None
 1.42A 4f8yA-3zs6A:
undetectable
4f8yB-3zs6A:
undetectable		 4f8yA-3zs6A:
17.80
4f8yB-3zs6A:
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.
3zu0 NAD NUCLEOTIDASE

(Haemophilus
influenzae) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 ASN A 233
TYR A 269
TYR A 255
LEU A 273
 None
 1.35A 4f8yA-3zu0A:
undetectable
4f8yB-3zu0A:
undetectable		 4f8yA-3zu0A:
15.45
4f8yB-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.
4ap3 STEROID
MONOOXYGENASE

(Rhodococcus
rhodochrous) 		PF00743
(FMO-like) 		4 ASN A 225
TYR A 353
TYR A 349
LEU A 331
 NAP  A1553 ( 4.2A)
None
None
None
 1.21A 4f8yA-4ap3A:
1.7
4f8yB-4ap3A:
2.7		 4f8yA-4ap3A:
13.22
4f8yB-4ap3A:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.37A 4f8yA-4c2kA:
undetectable
4f8yB-4c2kA:
undetectable		 4f8yA-4c2kA:
17.51
4f8yB-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.
4dkj CYTOSINE-SPECIFIC
METHYLTRANSFERASE

(Mycoplasma
penetrans) 		PF00145
(DNA_methylase) 		4 ASN A 275
TYR A 299
TYR A 279
LEU A 296
 None
 1.46A 4f8yA-4dkjA:
3.2
4f8yB-4dkjA:
4.0		 4f8yA-4dkjA:
19.52
4f8yB-4dkjA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fwi ABC-TYPE
DIPEPTIDE/OLIGOPEPTI
DE/NICKEL TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		PF00005
(ABC_tran)
PF08352
(oligo_HPY) 		4 ASN B 245
ARG B 252
TYR B 319
LEU B 308
 None
 1.37A 4f8yA-4fwiB:
undetectable
4f8yB-4fwiB:
undetectable		 4f8yA-4fwiB:
22.75
4f8yB-4fwiB:
22.75
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		4 ASN A 225
ARG A 159
TYR A 202
LEU A 233
 None
 1.19A 4f8yA-4gxwA:
undetectable
4f8yB-4gxwA:
undetectable		 4f8yA-4gxwA:
19.95
4f8yB-4gxwA:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3o OUTER MEMBRANE USHER
PROTEIN FIMD

(Escherichia
coli) 		PF00577
(Usher)
PF13953
(PapC_C)
PF13954
(PapC_N) 		4 ASN D 379
ARG D 415
TYR D 366
LEU D 356
 None
 1.40A 4f8yA-4j3oD:
undetectable
4f8yB-4j3oD:
undetectable		 4f8yA-4j3oD:
11.63
4f8yB-4j3oD:
11.63
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.
4k0u LIPOPROTEIN OUTS

(Dickeya
dadantii) 		PF09691
(T2SS_PulS_OutS) 		4 TRP A  85
ASN A  78
TYR A  90
LEU A  47
 None
 1.41A 4f8yA-4k0uA:
undetectable
4f8yB-4k0uA:
undetectable		 4f8yA-4k0uA:
20.00
4f8yB-4k0uA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4l5o PUTATIVE GLUTATHIONE
TRANSFERASE

(Clonorchis
sinensis) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 TRP A  41
ASN A  47
TYR A  57
LEU A  50
 GSH  A 301 (-4.1A)
None
None
None
 1.27A 4f8yA-4l5oA:
undetectable
4f8yB-4l5oA:
undetectable		 4f8yA-4l5oA:
18.07
4f8yB-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 ASN M 442
TYR M 377
TYR M 394
LEU M 423
 None
 1.39A 4f8yA-4nzrM:
1.8
4f8yB-4nzrM:
1.9		 4f8yA-4nzrM:
17.79
4f8yB-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.
4p98 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Conexibacter
woesei) 		PF02608
(Bmp) 		4 TRP A 136
ASN A  50
TYR A 138
LEU A 261
 None
BR  A 418 (-3.6A)
None
MLY  A 260 ( 4.1A)
 1.46A 4f8yA-4p98A:
5.8
4f8yB-4p98A:
5.5		 4f8yA-4p98A:
18.24
4f8yB-4p98A:
18.24
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.
4qgo DNA-ENTRY NUCLEASE
(COMPETENCE-SPECIFIC
NUCLEASE)

(Streptococcus
agalactiae) 		PF01223
(Endonuclease_NS) 		4 ASN A  75
TYR A 191
TYR A 192
LEU A 195
 None
 1.23A 4f8yA-4qgoA:
undetectable
4f8yB-4qgoA:
undetectable		 4f8yA-4qgoA:
20.08
4f8yB-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.
4ri6 PHI CLASS
GLUTATHIONE
TRANSFERASE GSTF1

(Populus tremula
x Populus
tremuloides) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 TRP A 195
ASN A 172
TYR A 147
LEU A 144
 None
 1.43A 4f8yA-4ri6A:
undetectable
4f8yB-4ri6A:
undetectable		 4f8yA-4ri6A:
22.81
4f8yB-4ri6A:
22.81
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.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		4 TRP A 176
ASN A 173
TYR A 237
LEU A 233
 None
 1.23A 4f8yA-4rl3A:
2.4
4f8yB-4rl3A:
2.2		 4f8yA-4rl3A:
21.11
4f8yB-4rl3A:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rot ESTERASE A

(Streptococcus
pyogenes) 		PF00756
(Esterase) 		4 ASN A 240
ARG A 259
TYR A 254
LEU A 247
 None
 1.34A 4f8yA-4rotA:
2.7
4f8yB-4rotA:
undetectable		 4f8yA-4rotA:
22.30
4f8yB-4rotA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rou MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 3

(Homo sapiens) 		no annotation 4 TRP B 455
ASN B 412
ARG B 445
LEU B 426
 None
 1.36A 4f8yA-4rouB:
undetectable
4f8yB-4rouB:
undetectable		 4f8yA-4rouB:
16.88
4f8yB-4rouB:
16.88
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.
4ypt REPLICASE
POLYPROTEIN 1AB

(Murine
coronavirus) 		PF08715
(Viral_protease) 		4 ARG A1751
TYR A1690
TYR A1689
LEU A1686
 GOL  A2002 ( 4.6A)
None
GOL  A2002 (-4.8A)
None
 1.13A 4f8yA-4yptA:
undetectable
4f8yB-4yptA:
undetectable		 4f8yA-4yptA:
19.76
4f8yB-4yptA:
19.76
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 ASN A 649
TYR A 602
TYR A 603
LEU A 606
 None
 1.08A 4f8yA-4zhjA:
4.9
4f8yB-4zhjA:
3.3		 4f8yA-4zhjA:
8.81
4f8yB-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.
5a1n AMINOACYL TRNA
SYNTHASE
COMPLEX-INTERACTING
MULTIFUNCTIONAL
PROTEIN 2
BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE

(Homo sapiens) 		PF00043
(GST_C) 		4 ASN A  52
ARG B 215
TYR A  68
LEU A 119
 None
 1.33A 4f8yA-5a1nA:
undetectable
4f8yB-5a1nA:
undetectable		 4f8yA-5a1nA:
20.85
4f8yB-5a1nA:
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.
5b86 TUMOR NECROSIS
FACTOR ALPHA-INDUCED
PROTEIN 2

(Mus musculus) 		PF06046
(Sec6) 		4 TRP A 339
ASN A 423
TYR A 397
LEU A 453
 None
 1.28A 4f8yA-5b86A:
undetectable
4f8yB-5b86A:
undetectable		 4f8yA-5b86A:
14.83
4f8yB-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 TRP A  52
TYR A  36
TYR A  86
LEU A  83
 None
 1.38A 4f8yA-5bykA:
undetectable
4f8yB-5bykA:
undetectable		 4f8yA-5bykA:
22.10
4f8yB-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.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		4 TRP A  70
ARG A 140
TYR A 176
TYR A 174
 None
 1.22A 4f8yA-5hy5A:
2.4
4f8yB-5hy5A:
2.0		 4f8yA-5hy5A:
15.97
4f8yB-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.
5ixd INTERFERON LAMBDA
RECEPTOR 1
TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 4 TRP B 257
ASN A 226
TYR A 217
LEU A 190
 None
 1.15A 4f8yA-5ixdB:
undetectable
4f8yB-5ixdB:
undetectable		 4f8yA-5ixdB:
16.49
4f8yB-5ixdB:
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.
5jd5 MGS-MILE3

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		4 TRP A 278
ASN A 250
ARG A 277
LEU A 180
 None
 1.21A 4f8yA-5jd5A:
3.0
4f8yB-5jd5A:
2.5		 4f8yA-5jd5A:
16.98
4f8yB-5jd5A:
16.98
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.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium) 		no annotation 4 TRP A  67
ASN A  93
TYR A  51
TYR A  95
 None
 1.37A 4f8yA-5tiwA:
undetectable
4f8yB-5tiwA:
undetectable		 4f8yA-5tiwA:
20.68
4f8yB-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.
5tiw SULFOTRANSFERASE

(Schistosoma
haematobium) 		no annotation 4 TRP A  67
TYR A  51
TYR A  95
LEU A  92
 None
 1.40A 4f8yA-5tiwA:
undetectable
4f8yB-5tiwA:
undetectable		 4f8yA-5tiwA:
20.68
4f8yB-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.
5tiz SULFOTRANSFERASE

(Schistosoma
japonicum) 		no annotation 4 TRP A  52
ASN A  80
TYR A  36
TYR A  82
 None
 1.45A 4f8yA-5tizA:
undetectable
4f8yB-5tizA:
undetectable		 4f8yA-5tizA:
22.34
4f8yB-5tizA:
22.34
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.
5tiz SULFOTRANSFERASE

(Schistosoma
japonicum) 		no annotation 4 TRP A  52
TYR A  36
TYR A  82
LEU A  79
 None
 1.44A 4f8yA-5tizA:
undetectable
4f8yB-5tizA:
undetectable		 4f8yA-5tizA:
22.34
4f8yB-5tizA:
22.34
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.
5wx3 ALKYLDIKETIDE-COA
SYNTHASE

(Tetradium
ruticarpum) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 ASN A  80
TYR A 260
TYR A 199
LEU A 202
 None
SO4  A 402 (-4.6A)
None
None
 1.24A 4f8yA-5wx3A:
undetectable
4f8yB-5wx3A:
undetectable		 4f8yA-5wx3A:
16.25
4f8yB-5wx3A:
16.25
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.
6fhw GLUCOAMYLASE P

(Amorphotheca
resinae) 		no annotation 4 ARG A 316
TYR A 416
TYR A 412
LEU A 358
 None
 1.18A 4f8yA-6fhwA:
undetectable
4f8yB-6fhwA:
undetectable		 4f8yA-6fhwA:
18.82
4f8yB-6fhwA:
18.82