SIMILAR PATTERNS OF AMINO ACIDS FOR 1NT6_B_DVAB6

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.
1g8x MYOSIN II HEAVY
CHAIN FUSED TO
ALPHA-ACTININ 3

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF00435
(Spectrin)
PF02736
(Myosin_N) 		3 ALA A 983
VAL A 979
TRP A 976
 None
 0.84A 1nt6B-1g8xA:
undetectable		 1nt6B-1g8xA:
4.68
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.
1gll GLYCEROL KINASE

(Escherichia
coli) 		no annotation 3 ALA Y 100
VAL Y  88
TRP Y  89
 None
 0.89A 1nt6B-1gllY:
undetectable		 1nt6B-1gllY:
4.46
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.
1gom ENDO-1,4-BETA-XYLANA
SE

(Thermoascus
aurantiacus) 		PF00331
(Glyco_hydro_10) 		3 ALA A 186
VAL A 191
TRP A 194
 None
 0.89A 1nt6B-1gomA:
undetectable		 1nt6B-1gomA:
4.20
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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 ALA A 284
VAL A 286
TRP A 248
 None
 0.65A 1nt6B-1hcyA:
undetectable		 1nt6B-1hcyA:
6.10
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.
1ii2 PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Trypanosoma
cruzi) 		PF01293
(PEPCK_ATP) 		3 ALA A 337
VAL A 340
TRP A 479
 None
 0.85A 1nt6B-1ii2A:
undetectable		 1nt6B-1ii2A:
3.06
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.
1j3b ATP-DEPENDENT
PHOSPHOENOLPYRUVATE
CARBOXYKINASE

(Thermus
thermophilus) 		PF01293
(PEPCK_ATP) 		3 ALA A 349
VAL A 352
TRP A 489
 None
 0.71A 1nt6B-1j3bA:
undetectable		 1nt6B-1j3bA:
5.08
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.
1k7h ALKALINE PHOSPHATASE

(Pandalus
borealis) 		PF00245
(Alk_phosphatase) 		3 ALA A 355
VAL A 353
TRP A  65
 None
 0.82A 1nt6B-1k7hA:
undetectable		 1nt6B-1k7hA:
3.49
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.
1l1j HEAT SHOCK PROTEASE
HTRA

(Thermotoga
maritima) 		PF13365
(Trypsin_2) 		3 ALA A 199
VAL A 174
TRP A 156
 None
 0.83A 1nt6B-1l1jA:
undetectable		 1nt6B-1l1jA:
6.09
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.
1ot5 KEXIN

(Saccharomyces
cerevisiae) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		3 ALA A 223
VAL A 234
TRP A 160
 CA  A 601 ( 4.9A)
None
None
 0.80A 1nt6B-1ot5A:
undetectable		 1nt6B-1ot5A:
2.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r2k MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
B

(Escherichia
coli) 		no annotation 3 ALA B  58
VAL B  60
TRP B  63
 None
 0.83A 1nt6B-1r2kB:
undetectable		 1nt6B-1r2kB:
11.59
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.
1ser PROTEIN (SERYL-TRNA
SYNTHETASE
(E.C.6.1.1.11))

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		3 ALA A 389
VAL A 137
TRP A 146
 None
 0.87A 1nt6B-1serA:
undetectable		 1nt6B-1serA:
4.08
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.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		3 ALA A 129
VAL A 123
TRP A  51
 None
 0.63A 1nt6B-1sfrA:
undetectable		 1nt6B-1sfrA:
4.91
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.
1ta3 ENDO-1,4-BETA-XYLANA
SE

(Aspergillus
nidulans) 		PF00331
(Glyco_hydro_10) 		3 ALA B 183
VAL B 188
TRP B 191
 None
 0.87A 1nt6B-1ta3B:
undetectable		 1nt6B-1ta3B:
7.04
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.
1vzh DESULFOFERRODOXIN

(Desulfarculus
baarsii) 		PF01880
(Desulfoferrodox)
PF06397
(Desulfoferrod_N) 		3 ALA A  47
VAL A  50
TRP A 122
 None
 0.72A 1nt6B-1vzhA:
undetectable		 1nt6B-1vzhA:
6.50
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.
1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		3 ALA A  99
VAL A  93
TRP A  34
 None
 0.78A 1nt6B-1womA:
undetectable		 1nt6B-1womA:
4.45
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.
1xvx YFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		3 ALA A  66
VAL A  68
TRP A  98
 None
 0.81A 1nt6B-1xvxA:
undetectable		 1nt6B-1xvxA:
6.78
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.
1xxr MANNOSE-BINDING
LECTIN

(Morus nigra) 		PF01419
(Jacalin) 		3 ALA A  51
VAL A 152
TRP A  30
 None
 0.87A 1nt6B-1xxrA:
undetectable		 1nt6B-1xxrA:
4.35
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.
1y9l LIPOPROTEIN MXIM

(Shigella
flexneri) 		PF11441
(MxiM) 		3 ALA A  74
VAL A  65
TRP A  54
 None
None
UND  A 150 (-3.6A)
 0.89A 1nt6B-1y9lA:
undetectable		 1nt6B-1y9lA:
12.31
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.
1yhu HEMOGLOBIN B1A CHAIN

(Riftia
pachyptila) 		PF00042
(Globin) 		3 ALA C  24
VAL C  19
TRP C  16
 None
 0.87A 1nt6B-1yhuC:
undetectable		 1nt6B-1yhuC:
10.20
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		3 ALA A 402
VAL A 325
TRP A 322
 None
 0.86A 1nt6B-2c4mA:
undetectable		 1nt6B-2c4mA:
1.85
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.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 ALA A  99
VAL A  87
TRP A  88
 None
 0.77A 1nt6B-2d4wA:
undetectable		 1nt6B-2d4wA:
9.21
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.
2gca FOLYLPOLYGLUTAMATE
SYNTHASE

(Lactobacillus
casei) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		3 ALA A 104
VAL A 102
TRP A 130
 None
 0.82A 1nt6B-2gcaA:
undetectable		 1nt6B-2gcaA:
3.46
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.
2in3 HYPOTHETICAL PROTEIN

(Nitrosomonas
europaea) 		PF01323
(DSBA) 		3 ALA A 119
VAL A 122
TRP A  20
 None
 0.83A 1nt6B-2in3A:
undetectable		 1nt6B-2in3A:
11.22
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.
2j8x URACIL-DNA
GLYCOSYLASE

(Human
gammaherpesvirus
4) 		PF03167
(UDG) 		3 ALA A  53
VAL A  55
TRP A 167
 None
 0.89A 1nt6B-2j8xA:
undetectable		 1nt6B-2j8xA:
7.74
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.
2jki SGT1-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF04969
(CS) 		3 ALA S 227
VAL S 163
TRP S 234
 None
 0.83A 1nt6B-2jkiS:
undetectable		 1nt6B-2jkiS:
18.18
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.
2o8p 14-3-3 DOMAIN
CONTAINING PROTEIN

(Cryptosporidium
parvum) 		PF00244
(14-3-3) 		3 ALA A  18
VAL A  20
TRP A  23
 None
 0.87A 1nt6B-2o8pA:
undetectable		 1nt6B-2o8pA:
10.34
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.
2okq HYPOTHETICAL PROTEIN
YBAA

(Shigella
flexneri) 		PF07237
(DUF1428) 		3 ALA A  10
VAL A  67
TRP A  42
 None
 0.74A 1nt6B-2okqA:
undetectable		 1nt6B-2okqA:
12.35
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		3 ALA A 397
VAL A 407
TRP A 412
 None
 0.88A 1nt6B-2pggA:
undetectable		 1nt6B-2pggA:
2.11
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.
2poi BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF00653
(BIR) 		3 ALA A  68
VAL A  61
TRP A  73
 None
 0.89A 1nt6B-2poiA:
undetectable		 1nt6B-2poiA:
9.09
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.
2psf RENILLA-LUCIFERIN
2-MONOOXYGENASE

(Renilla
reniformis) 		PF00561
(Abhydrolase_1) 		3 ALA A 123
VAL A 117
TRP A  60
 None
 0.89A 1nt6B-2psfA:
undetectable		 1nt6B-2psfA:
3.58
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.
2v72 EXO-ALPHA-SIALIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C) 		3 ALA A  64
VAL A 106
TRP A  97
 None
 0.83A 1nt6B-2v72A:
undetectable		 1nt6B-2v72A:
4.20
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.
2vak SIGMA A

(Avian
orthoreovirus) 		PF03084
(Sigma_1_2) 		3 ALA A  83
VAL A  85
TRP A 105
 None
 0.74A 1nt6B-2vakA:
undetectable		 1nt6B-2vakA:
5.91
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.
2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		3 ALA A 117
VAL A 115
TRP A 112
 None
 0.83A 1nt6B-2w8qA:
undetectable		 1nt6B-2w8qA:
3.73
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.
2wsx L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Escherichia
coli) 		PF02028
(BCCT) 		3 ALA A 418
VAL A 420
TRP A 239
 None
 0.85A 1nt6B-2wsxA:
undetectable		 1nt6B-2wsxA:
6.19
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		3 ALA A 569
VAL A 567
TRP A 537
 None
 0.73A 1nt6B-2wzsA:
undetectable		 1nt6B-2wzsA:
2.43
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.
2x64 GLUTATHIONE-S-TRANSF
ERASE

(Xylella
fastidiosa) 		PF00043
(GST_C)
PF02798
(GST_N) 		3 ALA A 191
VAL A 195
TRP A  20
 None
 0.89A 1nt6B-2x64A:
undetectable		 1nt6B-2x64A:
7.02
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE

(Bifidobacterium
breve) 		PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N) 		3 ALA A 645
VAL A 671
TRP A 628
 None
 0.89A 1nt6B-3ahiA:
undetectable		 1nt6B-3ahiA:
2.37
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.
3bv6 METAL-DEPENDENT
HYDROLASE

(Vibrio cholerae) 		PF13483
(Lactamase_B_3) 		3 ALA A 146
VAL A 148
TRP A 151
 None
 0.75A 1nt6B-3bv6A:
undetectable		 1nt6B-3bv6A:
4.90
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.
3e3a POSSIBLE PEROXIDASE
BPOC

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		3 ALA A  90
VAL A  84
TRP A  28
 None
 0.87A 1nt6B-3e3aA:
undetectable		 1nt6B-3e3aA:
4.51
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.
3ek1 ALDEHYDE
DEHYDROGENASE

(Brucella
abortus) 		PF00171
(Aldedh) 		3 ALA A 197
VAL A 195
TRP A  20
 None
 0.87A 1nt6B-3ek1A:
undetectable		 1nt6B-3ek1A:
8.89
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.
3err FUSION PROTEIN OF
MICROTUBULE BINDING
DOMAIN FROM MOUSE
CYTOPLASMIC DYNEIN
AND SERYL-TRNA
SYNTHETASE FROM
THERMUS THERMOPHILUS

(Thermus
thermophilus;
Mus musculus) 		PF00587
(tRNA-synt_2b)
PF12777
(MT) 		3 ALA A 389
VAL A 137
TRP A 146
 None
 0.78A 1nt6B-3errA:
undetectable		 1nt6B-3errA:
3.32
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.
3fxt NUCLEOSIDE
DIPHOSPHATE-LINKED
MOIETY X MOTIF 6

(Homo sapiens) 		no annotation 3 ALA A  80
VAL A  82
TRP A  85
 None
 0.86A 1nt6B-3fxtA:
undetectable		 1nt6B-3fxtA:
15.19
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.
3g25 GLYCEROL KINASE

(Staphylococcus
aureus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 ALA A  99
VAL A  87
TRP A  88
 None
 0.79A 1nt6B-3g25A:
undetectable		 1nt6B-3g25A:
6.90
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.
3gs3 SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		3 ALA A  28
VAL A  30
TRP A  33
 None
 0.85A 1nt6B-3gs3A:
undetectable		 1nt6B-3gs3A:
5.48
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.
3hd6 AMMONIUM TRANSPORTER
RH TYPE C

(Homo sapiens) 		PF00909
(Ammonium_transp) 		3 ALA A 259
VAL A 261
TRP A 229
 None
 0.76A 1nt6B-3hd6A:
undetectable		 1nt6B-3hd6A:
7.64
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.
3ibz PUTATIVE TELLURIUM
RESISTANT LIKE
PROTEIN TERD

(Streptomyces
coelicolor) 		PF02342
(TerD) 		3 ALA A 100
VAL A  98
TRP A 167
 None
 0.88A 1nt6B-3ibzA:
undetectable		 1nt6B-3ibzA:
5.95
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.
3ih6 PUTATIVE ZINC
PROTEASE

(Bordetella
pertussis) 		PF05193
(Peptidase_M16_C) 		3 ALA A 290
VAL A 296
TRP A 382
 None
 0.75A 1nt6B-3ih6A:
undetectable		 1nt6B-3ih6A:
11.90
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.
3l7o RIBOSE-5-PHOSPHATE
ISOMERASE A

(Streptococcus
mutans) 		PF06026
(Rib_5-P_isom_A) 		3 ALA A 223
VAL A 210
TRP A 116
 None
 0.84A 1nt6B-3l7oA:
undetectable		 1nt6B-3l7oA:
6.76
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.
3ln9 IMMUNOGLOBULIN HEAVY
CHAIN ANTIBODY
VARIABLE DOMAIN B10

(Camelidae) 		PF07686
(V-set) 		3 ALA A  98
VAL A 104
TRP A 105
 None
GOL  A 138 (-3.9A)
None
 0.84A 1nt6B-3ln9A:
undetectable		 1nt6B-3ln9A:
8.40
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.
3lpd ACIDIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE APRV2

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		3 ALA A 115
VAL A 126
TRP A  26
 None
 0.82A 1nt6B-3lpdA:
undetectable		 1nt6B-3lpdA:
3.37
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.
3lrk ALPHA-GALACTOSIDASE
1

(Saccharomyces
cerevisiae) 		PF16499
(Melibiase_2) 		3 ALA A 310
VAL A 312
TRP A 397
 GOL  A7003 (-3.6A)
None
None
 0.88A 1nt6B-3lrkA:
undetectable		 1nt6B-3lrkA:
3.40
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.
3ppo GLYCINE
BETAINE/CARNITINE/CH
OLINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		3 ALA A  88
VAL A 246
TRP A 127
 None
 0.77A 1nt6B-3ppoA:
undetectable		 1nt6B-3ppoA:
5.46
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.
3rjy ENDOGLUCANASE
FNCEL5A

(Fervidobacterium
nodosum) 		PF00150
(Cellulase) 		3 ALA A 340
VAL A 302
TRP A 298
 None
 0.89A 1nt6B-3rjyA:
undetectable		 1nt6B-3rjyA:
3.26
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.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		3 ALA A 196
VAL A 198
TRP A 169
 None
 0.85A 1nt6B-3s51A:
undetectable		 1nt6B-3s51A:
1.74
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.
3sz3 TRYPTOPHANYL-TRNA
SYNTHETASE

(Vibrio cholerae) 		PF00579
(tRNA-synt_1b) 		3 ALA A  69
VAL A  72
TRP A  28
 None
 0.63A 1nt6B-3sz3A:
undetectable		 1nt6B-3sz3A:
6.83
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.
3ti7 BASIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE BPRV

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		3 ALA A 115
VAL A 126
TRP A  26
 None
 0.77A 1nt6B-3ti7A:
undetectable		 1nt6B-3ti7A:
5.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3u41 TWIN-ARGININE
LEADER-BINDING
PROTEIN DMSD

(Escherichia
coli) 		PF02613
(Nitrate_red_del) 		3 ALA A  59
VAL A  57
TRP A  42
 None
 0.85A 1nt6B-3u41A:
undetectable		 1nt6B-3u41A:
9.27
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.
3v48 PUTATIVE
AMINOACRYLATE
HYDROLASE RUTD

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		3 ALA A  91
VAL A  85
TRP A  29
 None
 0.84A 1nt6B-3v48A:
undetectable		 1nt6B-3v48A:
8.33
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.
3vv3 DESEASIN MCP-01

(Pseudoalteromonas
sp. SM9913) 		PF00082
(Peptidase_S8) 		3 ALA A 114
VAL A 125
TRP A  34
 None
 0.85A 1nt6B-3vv3A:
undetectable		 1nt6B-3vv3A:
3.50
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.
4bg2 PATF

(Prochloron
didemni) 		no annotation 3 ALA A 110
VAL A 112
TRP A  77
 None
 0.87A 1nt6B-4bg2A:
undetectable		 1nt6B-4bg2A:
3.83
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.
4c90 ALPHA-GLUCURONIDASE
GH115

(Bacteroides
ovatus) 		PF15979
(Glyco_hydro_115) 		3 ALA A 230
VAL A 232
TRP A 172
 None
 0.89A 1nt6B-4c90A:
undetectable		 1nt6B-4c90A:
3.15
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.
4e1j GLYCEROL KINASE

(Sinorhizobium
meliloti) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		3 ALA A 122
VAL A 110
TRP A 111
 None
 0.77A 1nt6B-4e1jA:
undetectable		 1nt6B-4e1jA:
5.06
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.
4f53 SUSD HOMOLOG

(Bacteroides
ovatus) 		PF12741
(SusD-like) 		3 ALA A 202
VAL A  48
TRP A  45
 None
 0.88A 1nt6B-4f53A:
undetectable		 1nt6B-4f53A:
2.33
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.
4fib UNCHARACTERIZED
PROTEIN YDHK

(Bacillus
subtilis) 		PF07563
(DUF1541) 		3 ALA A 172
VAL A 115
TRP A 132
 None
 0.80A 1nt6B-4fibA:
undetectable		 1nt6B-4fibA:
8.13
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.
4g2u ANCYLOSTOMA-SECRETED
PROTEIN-LIKE PROTEIN

(Ostertagia
ostertagi) 		PF00188
(CAP) 		3 ALA A 165
VAL A 145
TRP A  59
 None
 0.88A 1nt6B-4g2uA:
undetectable		 1nt6B-4g2uA:
9.29
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.
4i0w PROTEASE CSPB

(Clostridium
perfringens) 		PF00082
(Peptidase_S8) 		3 ALA B 193
VAL B 204
TRP B 110
 None
 0.75A 1nt6B-4i0wB:
undetectable		 1nt6B-4i0wB:
3.87
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.
4imi SYMPLEKIN

(Drosophila
melanogaster) 		PF11935
(DUF3453) 		3 ALA A  28
VAL A  30
TRP A  33
 None
 0.89A 1nt6B-4imiA:
undetectable		 1nt6B-4imiA:
5.44
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.
4jyp HYDROLASE,
ALPHA/BETA FOLD
FAMILY PROTEIN

(Arabidopsis
thaliana) 		PF12697
(Abhydrolase_6) 		3 ALA A  98
VAL A  92
TRP A  33
 None
 0.86A 1nt6B-4jypA:
undetectable		 1nt6B-4jypA:
4.62
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 3 ALA A 554
VAL A 552
TRP A 542
 None
 0.80A 1nt6B-4lgnA:
undetectable		 1nt6B-4lgnA:
2.38
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.
4mbz MAJOR CAPSID PROTEIN
VP1

(African green
monkey
polyomavirus) 		PF00718
(Polyoma_coat) 		3 ALA A 268
VAL A 270
TRP A 280
 None
 0.88A 1nt6B-4mbzA:
undetectable		 1nt6B-4mbzA:
5.26
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.
4o7p MALTOKINASE

(Mycobacterium
tuberculosis) 		no annotation 3 ALA A 227
VAL A 229
TRP A 392
 None
 0.83A 1nt6B-4o7pA:
undetectable		 1nt6B-4o7pA:
5.56
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		3 ALA A 328
VAL A 326
TRP A 351
 None
 0.85A 1nt6B-4om9A:
undetectable		 1nt6B-4om9A:
1.54
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.
4pdb 30S RIBOSOMAL
PROTEIN S8

(Bacillus
anthracis) 		PF00410
(Ribosomal_S8) 		3 ALA A 127
VAL A 154
TRP A 155
 None
 0.78A 1nt6B-4pdbA:
undetectable		 1nt6B-4pdbA:
3.87
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.
4q82 PHOSPHOLIPASE/CARBOX
YLESTERASE

(Haliangium
ochraceum) 		no annotation 3 ALA A 201
VAL A 203
TRP A 226
 None
 0.88A 1nt6B-4q82A:
undetectable		 1nt6B-4q82A:
6.25
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.
4qgl ACIREDUCTONE
DIOXYGENASE

(Bacillus
anthracis) 		PF03079
(ARD) 		3 ALA A  65
VAL A  67
TRP A  33
 None
 0.83A 1nt6B-4qglA:
undetectable		 1nt6B-4qglA:
5.85
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.
4rgq GLYCEROL-1-PHOSPHATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF13685
(Fe-ADH_2) 		3 ALA A 221
VAL A 156
TRP A 159
 K  A 402 ( 3.6A)
None
None
 0.68A 1nt6B-4rgqA:
undetectable		 1nt6B-4rgqA:
3.73
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.
4u7l LEUCINE-RICH REPEATS
AND
IMMUNOGLOBULIN-LIKE
DOMAINS PROTEIN 1

(Homo sapiens) 		PF01463
(LRRCT)
PF13855
(LRR_8) 		3 ALA A 358
VAL A 381
TRP A 410
 None
 0.86A 1nt6B-4u7lA:
undetectable		 1nt6B-4u7lA:
3.12
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.
4usr MONOOXYGENASE

(Pseudomonas
stutzeri) 		PF13738
(Pyr_redox_3) 		3 ALA A 177
VAL A 179
TRP A  47
 None
 0.64A 1nt6B-4usrA:
undetectable		 1nt6B-4usrA:
4.04
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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		3 ALA A 204
VAL A 215
TRP A 138
 None
 0.83A 1nt6B-4z2aA:
undetectable		 1nt6B-4z2aA:
2.89
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.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		3 ALA A 476
VAL A 470
TRP A  15
 None
 0.86A 1nt6B-4zfmA:
undetectable		 1nt6B-4zfmA:
3.87
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.
5b3h PROTEIN SHORT-ROOT

(Arabidopsis
thaliana) 		PF03514
(GRAS) 		3 ALA B 393
VAL B 522
TRP B 234
 None
 0.88A 1nt6B-5b3hB:
undetectable		 1nt6B-5b3hB:
4.07
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.
5c3j CYTOCHROME B-LARGE
SUBUNIT
SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
CYTOCHROME B SMALL
SUBUNIT,
MITOCHONDRIAL

(Ascaris suum;
Ascaris suum) 		PF01127
(Sdh_cyt)
PF05328
(CybS) 		3 ALA C 169
VAL C 171
TRP D 154
 None
None
EPH  D 201 (-3.7A)
 0.84A 1nt6B-5c3jC:
undetectable		 1nt6B-5c3jC:
5.92
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.
5dac PUTATIVE
UNCHARACTERIZED
PROTEIN,PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		PF13476
(AAA_23) 		3 ALA A 149
VAL A 154
TRP A 164
 None
 0.70A 1nt6B-5dacA:
undetectable		 1nt6B-5dacA:
4.69
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 3 ALA B  77
VAL B  79
TRP B  82
 None
 0.86A 1nt6B-5dlqB:
undetectable		 1nt6B-5dlqB:
2.17
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.
5dnw SHKAI2IB

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		3 ALA A  98
VAL A  92
TRP A  33
 None
 0.76A 1nt6B-5dnwA:
undetectable		 1nt6B-5dnwA:
5.06
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.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		3 ALA A 429
VAL A 380
TRP A 384
 None
None
DQR  A 544 (-4.1A)
 0.81A 1nt6B-5g5zA:
undetectable		 1nt6B-5g5zA:
2.68
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.
5gte LACHRYMATORY-FACTOR
SYNTHASE

(Allium cepa) 		PF10604
(Polyketide_cyc2) 		3 ALA A  27
VAL A  25
TRP A 133
 None
 0.86A 1nt6B-5gteA:
undetectable		 1nt6B-5gteA:
6.41
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.
5h98 GEOBACTER
METALLIREDUCENS
SMUG1

(Geobacter
metallireducens) 		no annotation 3 ALA A 135
VAL A  69
TRP A 115
 None
 0.84A 1nt6B-5h98A:
undetectable		 1nt6B-5h98A:
7.19
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.
5hr4 MMEI

(Methylophilus
methylotrophus) 		no annotation 3 ALA C 422
VAL C 424
TRP C 427
 None
 0.66A 1nt6B-5hr4C:
undetectable		 1nt6B-5hr4C:
2.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9s ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (MANNOPINE)

(Agrobacterium
fabrum) 		PF13416
(SBP_bac_8) 		3 ALA A  84
VAL A  82
TRP A  93
 None
 0.85A 1nt6B-5l9sA:
undetectable		 1nt6B-5l9sA:
4.33
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.
5nxy OSMOTICALLY
ACTIVATED
L-CARNITINE/CHOLINE
ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN OPUCC

(Bacillus
subtilis) 		no annotation 3 ALA A  60
VAL A 218
TRP A  99
 None
 0.80A 1nt6B-5nxyA:
undetectable		 1nt6B-5nxyA:
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.
5vgs LACHRYMATORY-FACTOR
SYNTHASE

(Allium cepa) 		PF10604
(Polyketide_cyc2) 		3 ALA A  27
VAL A  25
TRP A 133
 None
None
9A7  A 202 (-3.4A)
 0.84A 1nt6B-5vgsA:
undetectable		 1nt6B-5vgsA:
7.64
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.
5vtm TYPE II SECRETION
SYSTEM PROTEIN I
TYPE II SECRETION
SYSTEM PROTEIN J

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		no annotation
no annotation 		3 ALA W  53
VAL W  51
TRP V  48
 None
 0.89A 1nt6B-5vtmW:
undetectable		 1nt6B-5vtmW:
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.
5xd0 GLUCANASE

(Paenibacillus
sp. X4) 		PF01270
(Glyco_hydro_8) 		3 ALA A 241
VAL A 243
TRP A 201
 None
 0.81A 1nt6B-5xd0A:
undetectable		 1nt6B-5xd0A:
2.99
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.
5y35 -

(-) 		no annotation 3 ALA B 110
VAL B 112
TRP B 115
 None
 0.81A 1nt6B-5y35B:
undetectable		 1nt6B-5y35B:
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.
5yay KN MOTIF AND ANKYRIN
REPEAT DOMAINS 1

(Mus musculus) 		no annotation 3 ALA A1139
VAL A1133
TRP A1130
 None
 0.88A 1nt6B-5yayA:
undetectable		 1nt6B-5yayA:
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.
5yl7 PSEUDOALTEROMONAS
ARCTICA PAMC 21717

(Pseudoalteromonas
arctica) 		no annotation 3 ALA A 254
VAL A 265
TRP A 171
 None
 0.73A 1nt6B-5yl7A:
undetectable		 1nt6B-5yl7A:
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.
5zvs PUTATIVE CORE
PROTEIN NTPASE/VP5

(Aquareovirus C) 		no annotation 3 ALA 4 243
VAL 4 248
TRP 4 257
 None
 0.82A 1nt6B-5zvs4:
undetectable		 1nt6B-5zvs4:
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.
6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		3 ALA B  83
VAL B  81
TRP A  86
 ALA  B  83 ( 0.0A)
VAL  B  81 ( 0.6A)
TRP  A  86 ( 0.5A)
 0.69A 1nt6B-6c0wB:
undetectable		 1nt6B-6c0wB:
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.
6req PROTEIN
(METHYLMALONYL-COA
MUTASE)

(Propionibacterium
freudenreichii) 		PF01642
(MM_CoA_mutase) 		3 ALA B 538
VAL B 534
TRP B 535
 None
 0.81A 1nt6B-6reqB:
undetectable		 1nt6B-6reqB:
4.08