SIMILAR PATTERNS OF AMINO ACIDS FOR 3IV6_A_SAMA301_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b9o PROTEIN
(ALPHA-LACTALBUMIN)

(Homo sapiens) 		PF00062
(Lys) 		5 THR A   4
ASP A  84
ILE A  85
THR A  86
LEU A  11
 None
 1.29A 3iv6A-1b9oA:
undetectable		 3iv6A-1b9oA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bhw XYLOSE ISOMERASE

(Actinoplanes
missouriensis) 		PF01261
(AP_endonuc_2) 		5 ASN A 267
PHE A  11
ILE A 232
THR A 229
LEU A 275
 None
 1.29A 3iv6A-1bhwA:
undetectable		 3iv6A-1bhwA:
23.27
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.
1c7j PROTEIN
(PARA-NITROBENZYL
ESTERASE)

(Bacillus
subtilis) 		PF00135
(COesterase) 		5 PRO A 475
THR A 462
SER A 446
ILE A 432
LEU A 465
 None
 1.27A 3iv6A-1c7jA:
2.4		 3iv6A-1c7jA:
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.
1dl5 PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01135
(PCMT) 		5 ASN A 119
PHE A 149
PRO A 174
GLY A  83
ILE A 112
 None
None
None
SAH  A 699 (-3.2A)
SAH  A 699 ( 4.5A)
 1.08A 3iv6A-1dl5A:
7.8		 3iv6A-1dl5A:
20.69
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.
1e8t HEMAGGLUTININ-NEURAM
INIDASE

(Avian
avulavirus 1) 		PF00423
(HN) 		5 PRO A 267
SER A 239
ASP A 248
ILE A 376
LEU A 286
 None
 1.25A 3iv6A-1e8tA:
undetectable		 3iv6A-1e8tA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ASN A 198
PRO A 111
GLY A  77
ASP A 196
ILE A 165
 MG  A1001 ( 2.7A)
None
None
None
None
 1.28A 3iv6A-1itzA:
2.7		 3iv6A-1itzA:
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.
1js8 HEMOCYANIN

(Enteroctopus
dofleini) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		5 GLY A2798
PHE A2796
ASP A2847
ILE A2848
THR A2849
 None
 1.19A 3iv6A-1js8A:
undetectable		 3iv6A-1js8A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jy5 CALSEPRRP

(Calystegia
sepium) 		PF00445
(Ribonuclease_T2) 		5 PRO A  80
GLY A  39
THR A  41
SER A 137
ILE A 206
 None
 1.19A 3iv6A-1jy5A:
undetectable		 3iv6A-1jy5A:
19.08
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.
1mqq ALPHA-D-GLUCURONIDAS
E

(Geobacillus
stearothermophilus) 		PF03648
(Glyco_hydro_67N)
PF07477
(Glyco_hydro_67C)
PF07488
(Glyco_hydro_67M) 		5 GLY A 277
SER A 235
ILE A 268
THR A 264
LEU A 308
 None
 1.28A 3iv6A-1mqqA:
undetectable		 3iv6A-1mqqA:
17.19
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.
1ohz ENDO-1,4-BETA-XYLANA
SE Y

(Ruminiclostridium
thermocellum) 		PF00404
(Dockerin_1) 		5 ASN B  40
GLY B   1
ASP B  38
THR B  46
LEU B  17
 CA  B1058 (-3.0A)
None
CA  B1058 (-2.9A)
None
None
 1.14A 3iv6A-1ohzB:
undetectable		 3iv6A-1ohzB:
16.13
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.
1r44 D-ALANYL-D-ALANINE
DIPEPTIDASE

(Enterococcus
faecium) 		PF01427
(Peptidase_M15) 		5 PHE A 197
GLY A  42
ASP A 123
ILE A 122
LEU A  46
 None
None
ZN  A 203 (-2.5A)
None
None
 1.30A 3iv6A-1r44A:
undetectable		 3iv6A-1r44A:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y6j L-LACTATE
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ASN A 198
GLY A 173
SER A 188
ILE A 192
LEU A 160
 None
 1.17A 3iv6A-1y6jA:
3.5		 3iv6A-1y6jA:
23.49
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.
1ybm UNKNOWN PROTEIN
AT5G02240

(Arabidopsis
thaliana) 		PF13460
(NAD_binding_10) 		5 GLY A  11
SER A  39
ASP A  56
ILE A  57
THR A  58
 NAP  A 400 ( 3.8A)
NAP  A 400 ( 4.4A)
NAP  A 400 (-3.5A)
NAP  A 400 (-3.7A)
NAP  A 400 ( 4.5A)
 0.72A 3iv6A-1ybmA:
6.1		 3iv6A-1ybmA:
24.49
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.
1yew PARTICULATE METHANE
MONOOXYGENASE, B
SUBUNIT
PARTICULATE METHANE
MONOOXYGENASE
SUBUNIT C2

(Methylococcus
capsulatus;
Methylococcus
capsulatus) 		PF04744
(Monooxygenase_B)
PF04896
(AmoC) 		5 TRP A 136
GLY A  95
THR C 162
PHE A  98
ILE A  99
 None
 1.31A 3iv6A-1yewA:
undetectable		 3iv6A-1yewA:
22.28
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.
1ypx PUTATIVE VITAMIN-B12
INDEPENDENT
METHIONINE SYNTHASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF01717
(Meth_synt_2) 		5 PRO A   6
GLY A 297
SER A 301
ILE A 312
LEU A 330
 None
 1.27A 3iv6A-1ypxA:
undetectable		 3iv6A-1ypxA:
24.40
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.
2f5t ARCHAEAL
TRANSCRIPTIONAL
REGULATOR TRMB

(Thermococcus
litoralis) 		PF11495
(Regulator_TrmB) 		5 PHE X 216
GLY X 193
ASP X 150
ILE X 147
LEU X 191
 None
 1.26A 3iv6A-2f5tX:
undetectable		 3iv6A-2f5tX:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5t ARCHAEAL
TRANSCRIPTIONAL
REGULATOR TRMB

(Thermococcus
litoralis) 		PF11495
(Regulator_TrmB) 		5 PHE X 216
GLY X 193
ILE X 147
THR X 146
LEU X 191
 None
 1.11A 3iv6A-2f5tX:
undetectable		 3iv6A-2f5tX:
23.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 PHE A 173
GLY A 195
PHE A 148
THR A 262
LEU A 196
 None
 1.25A 3iv6A-2fj0A:
undetectable		 3iv6A-2fj0A:
20.29
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
BETA-HEXOSAMINIDASE
SUBUNIT ALPHA

(Homo sapiens;
Homo sapiens) 		PF00728
(Glyco_hydro_20)
PF14845
(Glycohydro_20b2)
no annotation 		5 PHE A  65
GLY I 138
SER I 143
ILE I 161
THR I 159
 None
 1.31A 3iv6A-2gk1A:
undetectable		 3iv6A-2gk1A:
11.11
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.
2gu1 ZINC PEPTIDASE

(Vibrio cholerae) 		PF01551
(Peptidase_M23)
PF04225
(OapA) 		5 PHE A 103
GLY A 105
PHE A 172
SER A 171
ILE A 107
 None
 1.23A 3iv6A-2gu1A:
undetectable		 3iv6A-2gu1A:
22.35
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.
2mvo PUTATIVE LIPOPROTEIN

(Microbispora
sp. ATCC
PTA-5024) 		PF10709
(DUF2511) 		5 SER A  54
ASP A  61
ILE A  80
THR A  79
LEU A 137
 None
 1.27A 3iv6A-2mvoA:
undetectable		 3iv6A-2mvoA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nm0 PROBABLE
3-OXACYL-(ACYL-CARRI
ER-PROTEIN)
REDUCTASE

(Streptomyces
coelicolor) 		PF13561
(adh_short_C2) 		5 GLY A   9
SER A  35
ASP A  48
ILE A  49
THR A  50
 None
 0.89A 3iv6A-2nm0A:
5.8		 3iv6A-2nm0A:
24.47
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.
2nwq PROBABLE SHORT-CHAIN
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		PF00106
(adh_short) 		5 ASN A 231
GLY A  81
THR A   4
ILE A 134
LEU A 125
 None
 1.14A 3iv6A-2nwqA:
5.5		 3iv6A-2nwqA:
22.41
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.
2pid TYROSYL-TRNA
SYNTHETASE

(Homo sapiens) 		PF00579
(tRNA-synt_1b) 		5 ASN A 259
GLY A 268
THR A 270
ASP A 265
THR A  57
 None
 1.23A 3iv6A-2pidA:
2.1		 3iv6A-2pidA:
23.99
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.
2pso STAR-RELATED LIPID
TRANSFER PROTEIN 13

(Homo sapiens) 		PF01852
(START) 		5 PRO A 963
SER A1031
ASP A1051
ILE A1069
LEU A1055
 None
 1.26A 3iv6A-2psoA:
undetectable		 3iv6A-2psoA:
24.45
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.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 PRO A 162
GLY A 224
SER A 260
ILE A 242
LEU A 247
 None
 1.30A 3iv6A-2q1yA:
2.9		 3iv6A-2q1yA:
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.
2q2r GLUCOKINASE 1,
PUTATIVE

(Trypanosoma
cruzi) 		PF02685
(Glucokinase) 		5 GLY A  32
THR A 185
SER A  56
ILE A  62
THR A  63
 None
ADP  A2001 (-3.3A)
None
None
None
 1.19A 3iv6A-2q2rA:
undetectable		 3iv6A-2q2rA:
22.58
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.
2rgw ASPARTATE
CARBAMOYLTRANSFERASE

(Methanocaldococcus
jannaschii) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 PHE A  58
PRO A 132
ILE A  90
THR A  89
LEU A 102
 None
 1.07A 3iv6A-2rgwA:
undetectable		 3iv6A-2rgwA:
23.71
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.
2rhe BENCE-JONES PROTEIN
RHE (LIGHT CHAIN)

(Homo sapiens) 		PF07686
(V-set) 		5 GLY A 100
SER A  95
ILE A  29
THR A  70
LEU A   4
 None
 1.11A 3iv6A-2rheA:
undetectable		 3iv6A-2rheA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vhq NTPASE P4

(Pseudomonas
phage phi12) 		PF11602
(NTPase_P4) 		5 ASN A 166
PHE A 158
SER A 190
ILE A 176
LEU A 214
 None
 1.18A 3iv6A-2vhqA:
undetectable		 3iv6A-2vhqA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z0m 337AA LONG
HYPOTHETICAL
ATP-DEPENDENT RNA
HELICASE DEAD

(Sulfurisphaera
tokodaii) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 THR A  69
PHE A 130
SER A  59
ILE A 153
LEU A 116
 None
 1.20A 3iv6A-2z0mA:
3.6		 3iv6A-2z0mA:
24.38
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.
2z5x AMINE OXIDASE
[FLAVIN-CONTAINING]
A

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 ASN A  92
THR A 105
ASP A 338
ILE A 349
LEU A 381
 None
 1.30A 3iv6A-2z5xA:
2.9		 3iv6A-2z5xA:
19.80
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.
2zcx TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 ASN A 125
GLY A  36
ILE A  74
THR A  75
LEU A 114
 None
 1.15A 3iv6A-2zcxA:
undetectable		 3iv6A-2zcxA:
24.00
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.
3bit FACT COMPLEX SUBUNIT
SPT16

(Saccharomyces
cerevisiae) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 TRP A 151
PHE A 160
GLY A 132
ASP A 137
THR A  48
 None
 1.13A 3iv6A-3bitA:
undetectable		 3iv6A-3bitA:
19.78
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.
3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE

(Cytophaga
hutchinsonii) 		PF03009
(GDPD) 		5 PHE A 268
PRO A   5
ASP A 219
THR A 221
LEU A 252
 None
None
EDO  A 275 ( 2.7A)
EDO  A 274 (-3.0A)
None
 1.22A 3iv6A-3ch0A:
undetectable		 3iv6A-3ch0A:
23.03
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.
3cnn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Thermotoga
maritima) 		PF01926
(MMR_HSR1) 		5 ASN A  54
THR A  24
ILE A  79
THR A  81
LEU A  94
 GTP  A 263 (-3.7A)
None
None
None
None
 1.11A 3iv6A-3cnnA:
undetectable		 3iv6A-3cnnA:
23.87
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.
3dqq PUTATIVE TRNA
SYNTHASE

(Salmonella
enterica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		5 PRO A 387
GLY A  13
THR A  15
ASP A  88
THR A  86
 None
 1.11A 3iv6A-3dqqA:
undetectable		 3iv6A-3dqqA:
22.88
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.
3gbh NAD(P)H-FLAVIN
OXIDOREDUCTASE

(Staphylococcus
epidermidis) 		PF00881
(Nitroreductase) 		5 PHE A  23
THR A 160
ASP A  35
ILE A  38
LEU A  85
 None
 1.25A 3iv6A-3gbhA:
undetectable		 3iv6A-3gbhA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hbx GLUTAMATE
DECARBOXYLASE 1

(Arabidopsis
thaliana) 		PF00282
(Pyridoxal_deC) 		5 PHE A 254
GLY A 279
SER A 247
ILE A 285
THR A 123
 None
LLP  A 277 ( 4.4A)
LLP  A 277 ( 4.6A)
None
None
 1.24A 3iv6A-3hbxA:
undetectable		 3iv6A-3hbxA:
21.44
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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 ASN A 190
THR A 252
ASP A 188
ILE A 185
LEU A 173
 None
 1.27A 3iv6A-3hn0A:
undetectable		 3iv6A-3hn0A:
23.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 12 ASN A   5
TRP A  11
PHE A  18
PRO A  28
GLY A  50
THR A  53
PHE A  72
SER A  73
ASP A  95
ILE A  96
THR A  97
LEU A 116
 SAM  A 301 ( 4.7A)
SAM  A 301 (-3.7A)
SAM  A 301 (-3.7A)
SAM  A 301 ( 4.8A)
SAM  A 301 (-3.4A)
SAM  A 301 (-3.1A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 4.7A)
SAM  A 301 (-3.6A)
SAM  A 301 (-4.5A)
SAM  A 301 ( 3.9A)
SAM  A 301 (-4.2A)
 0.00A 3iv6A-3iv6A:
48.2		 3iv6A-3iv6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 5 GLY A  50
PHE A  70
ASP A  92
ILE A  91
THR A  90
 SAM  A 301 (-3.4A)
None
None
None
None
 1.18A 3iv6A-3iv6A:
48.2		 3iv6A-3iv6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 5 PRO A  28
GLY A  50
ASP A  92
ILE A  91
THR A  90
 SAM  A 301 ( 4.8A)
SAM  A 301 (-3.4A)
None
None
None
 1.19A 3iv6A-3iv6A:
48.2		 3iv6A-3iv6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 5 TRP A  11
PHE A  72
SER A  73
ILE A  49
LEU A 116
 SAM  A 301 (-3.7A)
SAM  A 301 (-3.3A)
SAM  A 301 ( 4.7A)
None
SAM  A 301 (-4.2A)
 1.28A 3iv6A-3iv6A:
48.2		 3iv6A-3iv6A:
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.
3kzv UNCHARACTERIZED
OXIDOREDUCTASE
YIR035C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		5 GLY A   9
SER A  37
ASP A  58
ILE A  59
THR A  60
 GOL  A 255 (-3.3A)
GOL  A 255 (-4.6A)
None
None
None
 1.05A 3iv6A-3kzvA:
3.5		 3iv6A-3kzvA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kzv UNCHARACTERIZED
OXIDOREDUCTASE
YIR035C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		5 PRO A 178
GLY A  87
ASP A  58
ILE A  59
THR A  60
 None
GOL  A 255 ( 4.7A)
None
None
None
 1.28A 3iv6A-3kzvA:
3.5		 3iv6A-3kzvA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1c ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
2) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		5 ASN A 395
GLY A 273
PHE A 391
SER A 388
THR A 251
 None
 1.09A 3iv6A-3m1cA:
undetectable		 3iv6A-3m1cA:
16.78
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.
3mpi GLUTARYL-COA
DEHYDROGENASE

(Desulfococcus
multivorans) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ASN A  35
PRO A 131
GLY A 213
THR A 158
SER A 210
 None
 1.19A 3iv6A-3mpiA:
undetectable		 3iv6A-3mpiA:
23.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nc3 CYTOCHROME P450 CYPX

(Bacillus
subtilis) 		PF00067
(p450) 		5 PHE A  15
SER A  37
ASP A  39
ILE A 303
THR A 302
 None
 1.18A 3iv6A-3nc3A:
undetectable		 3iv6A-3nc3A:
21.46
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.
3nyw PUTATIVE
OXIDOREDUCTASE

(Bacteroides
thetaiotaomicron) 		PF00106
(adh_short) 		5 ASN A 221
PRO A  59
GLY A  24
ILE A 216
LEU A  25
 None
 1.26A 3iv6A-3nywA:
6.7		 3iv6A-3nywA:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nyw PUTATIVE
OXIDOREDUCTASE

(Bacteroides
thetaiotaomicron) 		PF00106
(adh_short) 		5 GLY A  12
SER A  38
ASP A  65
ILE A  66
THR A  67
 None
 0.79A 3iv6A-3nywA:
6.7		 3iv6A-3nywA:
24.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oag RENIN

(Homo sapiens) 		PF00026
(Asp) 		5 GLY A  22
THR A  13
SER A   9
ILE A  24
THR A  98
 None
 1.09A 3iv6A-3oagA:
undetectable		 3iv6A-3oagA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 PHE A 512
PRO A  84
THR A  86
ILE A  50
LEU A  59
 FAY  A 600 (-3.6A)
None
FAY  A 600 (-4.4A)
None
None
 1.15A 3iv6A-3q9tA:
2.0		 3iv6A-3q9tA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qph TRMB, A GLOBAL
TRANSCRIPTION
REGULATOR

(Pyrococcus
furiosus) 		PF01978
(TrmB)
PF11495
(Regulator_TrmB) 		5 PHE A 216
GLY A 193
ASP A 150
ILE A 147
LEU A 191
 None
None
ACT  A 402 (-4.0A)
None
None
 1.25A 3iv6A-3qphA:
undetectable		 3iv6A-3qphA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qph TRMB, A GLOBAL
TRANSCRIPTION
REGULATOR

(Pyrococcus
furiosus) 		PF01978
(TrmB)
PF11495
(Regulator_TrmB) 		5 PHE A 216
GLY A 193
ILE A 147
THR A 146
LEU A 191
 None
 1.19A 3iv6A-3qphA:
undetectable		 3iv6A-3qphA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rap PROTEIN (G PROTEIN
RAP2A)

(Homo sapiens) 		PF00071
(Ras) 		5 GLY R 115
THR R 145
PHE R  90
ILE R  93
LEU R 113
 None
 1.17A 3iv6A-3rapR:
undetectable		 3iv6A-3rapR:
19.07
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ASN A 207
PRO A 117
GLY A  84
ASP A 205
ILE A 174
 MG  A1001 ( 2.6A)
None
None
None
None
 1.30A 3iv6A-3rimA:
2.5		 3iv6A-3rimA:
20.65
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.
3sgh SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF12741
(SusD-like) 		5 ASN A  95
TRP A  65
ASP A  96
THR A 482
LEU A 138
 None
 1.24A 3iv6A-3sghA:
undetectable		 3iv6A-3sghA:
21.78
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.
4d5g CYCLOHEXANE-1,2-DION
E HYDROLASE

(Azoarcus sp.
BH72) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PHE A 476
THR A 449
ASP A 504
ILE A 508
LEU A 540
 None
 1.21A 3iv6A-4d5gA:
2.7		 3iv6A-4d5gA:
19.02
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.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		6 GLY A 551
PHE A 706
SER A 707
ASP A 545
ILE A 549
LEU A 552
 None
 1.49A 3iv6A-4fm9A:
undetectable		 3iv6A-4fm9A:
15.86
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.
4ia5 MYOSIN-CROSSREACTIVE
ANTIGEN

(Lactobacillus
acidophilus) 		PF06100
(MCRA) 		5 ASN A 496
GLY A  29
SER A 291
ILE A 494
THR A 515
 None
 0.88A 3iv6A-4ia5A:
2.2		 3iv6A-4ia5A:
20.07
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.
4iss ALLOPHANATE
HYDROLASE

(Kluyveromyces
lactis) 		PF01425
(Amidase) 		5 TRP A   7
PHE A  15
SER A   8
ILE A 165
LEU A  31
 None
 1.09A 3iv6A-4issA:
undetectable		 3iv6A-4issA:
19.61
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.
4krg PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 TRP A  14
GLY A  59
PHE A  81
ASP A 105
LEU A 124
 SAH  A 502 (-3.8A)
SAH  A 502 (-3.6A)
SAH  A 502 (-3.5A)
SAH  A 502 (-3.0A)
None
 0.85A 3iv6A-4krgA:
17.0		 3iv6A-4krgA:
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.
4llo POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 1

(Mus musculus) 		PF13426
(PAS_9) 		5 THR B  79
PHE B 109
ASP B 132
ILE B 133
THR B 134
 None
 1.29A 3iv6A-4lloB:
undetectable		 3iv6A-4lloB:
19.85
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.
4m1q L-LACTATE
DEHYDROGENASE

([Bacillus]
selenitireducens) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A 171
THR A 151
SER A 186
ILE A 190
LEU A 158
 None
 1.30A 3iv6A-4m1qA:
4.1		 3iv6A-4m1qA:
23.96
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.
4mjk CRISPR PROTEIN

(Archaeoglobus
fulgidus) 		PF09704
(Cas_Cas5d) 		5 PRO A  78
GLY A 114
THR A 116
SER A 110
ILE A  18
 None
 1.13A 3iv6A-4mjkA:
undetectable		 3iv6A-4mjkA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nen INTEGRIN ALPHA-X
INTEGRIN BETA-2

(Homo sapiens;
Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF17205
(PSI_integrin) 		5 ASN B 518
GLY B 486
THR A 709
ASP B 515
ILE B 507
 None
 1.24A 3iv6A-4nenB:
undetectable		 3iv6A-4nenB:
16.35
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.
4nzs BETA-KETOTHIOLASE
BKTB

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 353
THR A 355
ASP A  64
ILE A  58
THR A  60
 None
 1.02A 3iv6A-4nzsA:
undetectable		 3iv6A-4nzsA:
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.
4omb PHOSPHATE BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF12849
(PBP_like_2) 		5 ASN A  53
GLY A  47
THR A  80
ILE A  73
THR A  56
 None
 1.25A 3iv6A-4ombA:
undetectable		 3iv6A-4ombA:
21.91
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 PHE A 163
GLY A  12
SER A  36
ASP A 118
ILE A 116
 None
FDA  A 501 (-3.1A)
FDA  A 501 (-3.1A)
None
None
 1.22A 3iv6A-4opuA:
2.5		 3iv6A-4opuA:
22.13
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.
4pqj PHOSPHATE BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF12849
(PBP_like_2) 		5 ASN A  53
GLY A  47
THR A  80
ILE A  73
THR A  56
 None
 1.29A 3iv6A-4pqjA:
undetectable		 3iv6A-4pqjA:
24.68
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.
4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP2
COXSACKIEVIRUS
CAPSID PROTEIN VP3

(Enterovirus C;
Enterovirus C) 		PF00073
(Rhv)
PF00073
(Rhv) 		5 PHE 3 208
GLY 2 120
SER 3 122
ILE 2 246
LEU 2 236
 None
 1.25A 3iv6A-4q4y3:
undetectable		 3iv6A-4q4y3:
22.92
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.
4s3k SPORE GERMINATION
PROTEIN YAAH

(Bacillus
megaterium) 		PF00704
(Glyco_hydro_18)
PF01476
(LysM) 		5 PHE A 140
GLY A 136
ILE A 125
THR A 121
LEU A 156
 None
 0.90A 3iv6A-4s3kA:
undetectable		 3iv6A-4s3kA:
21.67
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.
4u8u LINKER L3

(Glossoscolex
paulistus) 		PF00057
(Ldl_recept_a)
PF16915
(Eryth_link_C) 		5 GLY O 199
ASP O 112
ILE O 201
THR O 115
LEU O 185
 None
 1.11A 3iv6A-4u8uO:
undetectable		 3iv6A-4u8uO:
22.71
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.
4ww3 RHODOPSIN

(Todarodes
pacificus) 		PF00001
(7tm_1) 		5 GLY A  88
THR A  93
PHE A  83
ASP A  80
ILE A 309
 None
 1.30A 3iv6A-4ww3A:
undetectable		 3iv6A-4ww3A:
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.
5frd CARBOXYLESTERASE
(EST-2)

(Archaeoglobus
fulgidus) 		PF12697
(Abhydrolase_6) 		5 ASN A  53
PHE A 175
GLY A  91
SER A  30
ILE A  49
 None
None
None
CL  A1258 (-2.9A)
None
 1.24A 3iv6A-5frdA:
2.8		 3iv6A-5frdA:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		5 PRO A 218
GLY A 355
PHE A 360
SER A 240
ASP A 361
 None
None
None
None
SGN  A1522 (-2.8A)
 1.31A 3iv6A-5g2vA:
undetectable		 3iv6A-5g2vA:
18.71
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.
5gru DIABODY PROTEIN
DIABODY PROTEIN

(Homo sapiens;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 TRP L  48
GLY H 225
THR H 227
PHE L 103
ILE L 101
 TRP  L  48 ( 0.5A)
GLY  H 225 ( 0.0A)
THR  H 227 ( 0.8A)
PHE  L 103 ( 1.3A)
ILE  L 101 ( 0.7A)
 1.22A 3iv6A-5gruL:
undetectable		 3iv6A-5gruL:
21.32
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.
5hdf HYDROLASE

(Streptomyces
flocculus) 		no annotation 5 ASN B 105
TRP B 109
GLY B 350
THR B 273
LEU B 353
 None
 1.23A 3iv6A-5hdfB:
2.6		 3iv6A-5hdfB:
23.32
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 ASN A1968
TRP A1965
PRO A2031
GLY A1963
ILE A1940
 None
 1.30A 3iv6A-5i6gA:
undetectable		 3iv6A-5i6gA:
14.03
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.
5i6h ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 ASN A1968
TRP A1965
PRO A2031
GLY A1963
ILE A1940
 None
 1.28A 3iv6A-5i6hA:
undetectable		 3iv6A-5i6hA:
12.21
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.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 ASN A1968
TRP A1965
PRO A2031
GLY A1963
ILE A1940
 None
 1.26A 3iv6A-5i6iA:
undetectable		 3iv6A-5i6iA:
8.38
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 TRP A   7
PHE A  15
SER A   8
ILE A 165
LEU A  31
 None
 1.09A 3iv6A-5i8iA:
undetectable		 3iv6A-5i8iA:
10.11
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.
5iao BIFUNCTIONAL PROTEIN
PYRR

(Mycobacterium
tuberculosis) 		PF00156
(Pribosyltran) 		5 GLY A  54
SER A 104
ASP A  84
ILE A  85
THR A  86
 None
 1.12A 3iv6A-5iaoA:
2.2		 3iv6A-5iaoA:
23.40
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.
5ibz UNCHARACTERIZED
PROTEIN

(uncultured
organism) 		PF04199
(Cyclase) 		5 GLY A 298
ASP A 266
ILE A 220
THR A 222
LEU A 270
 None
 1.26A 3iv6A-5ibzA:
undetectable		 3iv6A-5ibzA:
24.64
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.
5imw INTERMEDILYSIN

(Streptococcus
intermedius) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		5 ASN A 178
PHE A 272
PHE A 129
ILE A 128
LEU A 134
 None
 1.25A 3iv6A-5imwA:
undetectable		 3iv6A-5imwA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iq0 ESTERASE

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 204
THR A 123
SER A 298
ILE A 233
LEU A 208
 None
 1.28A 3iv6A-5iq0A:
undetectable		 3iv6A-5iq0A:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jkj ESTERASE E22

(uncultured
bacterium) 		PF00561
(Abhydrolase_1) 		5 GLY A 376
THR A 378
SER A 175
ILE A 335
LEU A 367
 None
 1.31A 3iv6A-5jkjA:
2.6		 3iv6A-5jkjA:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kyu PROTEIN TRANSPORT
PROTEIN SEC24D

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 PHE B 388
PRO B 373
GLY B 767
PHE B 320
LEU B 766
 None
 1.31A 3iv6A-5kyuB:
undetectable		 3iv6A-5kyuB:
16.36
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.
5l0p TRANSCRIPTION FACTOR
ETV6, TRANSCRIPTION
FACTOR ETV6,
TRANSCRIPTION FACTOR
ETV6, FERRIC UPTAKE
REGULATION PROTEIN
CHIMERA

(Klebsiella
pneumoniae;
Homo sapiens) 		PF01475
(FUR)
PF02198
(SAM_PNT) 		5 TRP A 119
PHE A 137
GLY A 141
ILE A 109
LEU A 145
 None
 1.11A 3iv6A-5l0pA:
undetectable		 3iv6A-5l0pA:
23.05
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.
5tuf TETRACYCLINE
DESTRUCTASE TET(50)

(uncultured
bacterium) 		PF01494
(FAD_binding_3) 		5 TRP A 279
PRO A 385
GLY A 308
ILE A 153
LEU A 312
 None
 1.26A 3iv6A-5tufA:
2.8		 3iv6A-5tufA:
22.28
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.
5vj7 OXIDOREDUCTASE
FERREDOXIN-NADP(+)
REDUCTASE SUBUNIT
ALPHA

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20)
PF10418
(DHODB_Fe-S_bind) 		5 PRO B 221
GLY B 226
ILE A 226
THR A 230
LEU B  90
 FAD  B 301 (-4.8A)
FES  B 302 (-3.5A)
None
None
None
 1.23A 3iv6A-5vj7B:
4.9		 3iv6A-5vj7B:
23.10
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.
5vys GDP-MANNOSE
4,6-DEHYDRATASE /
GDP-4-AMINO-4,6-DIDE
OXY-D-MANNOSE
FORMYLTRANSFERASE

(Brucella
melitensis) 		PF00551
(Formyl_trans_N) 		5 TRP A 213
PHE A 221
PRO A 232
SER A 214
LEU A 235
 None
 1.04A 3iv6A-5vysA:
4.3		 3iv6A-5vysA:
21.31
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.
5wka BETA-GLUCOSIDASE

(metagenome) 		no annotation 5 GLY A 213
THR A 157
SER A 282
ILE A 363
LEU A 287
 None
 1.29A 3iv6A-5wkaA:
undetectable		 3iv6A-5wkaA:
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 6 TRP A  16
GLY A  61
PHE A  83
ASP A 107
THR A 109
LEU A 128
 SAH  A 701 (-3.8A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.4A)
SAH  A 701 (-3.2A)
SAH  A 701 ( 4.6A)
None
 0.78A 3iv6A-5wp4A:
17.8		 3iv6A-5wp4A:
19.43
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.
5wp5 PHOSPHOMETHYLETHANOL
AMINE
N-METHYLTRANSFERASE
2

(Arabidopsis
thaliana) 		no annotation 6 TRP A  16
GLY A  61
PHE A  83
ASP A 107
THR A 109
LEU A 128
 SAH  A 502 (-3.6A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.4A)
SAH  A 502 (-3.2A)
SAH  A 502 ( 4.8A)
None
 0.82A 3iv6A-5wp5A:
17.7		 3iv6A-5wp5A:
21.36
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 5 ASN A 367
PRO A 261
GLY A 319
ILE A 372
THR A 373
 None
 1.26A 3iv6A-5xgwA:
undetectable		 3iv6A-5xgwA:
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.
6fbt LYTIC MUREIN
TRANSGLYCOSYLASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 518
ASP A 548
ILE A 551
THR A 481
LEU A 519
 None
 1.27A 3iv6A-6fbtA:
undetectable		 3iv6A-6fbtA:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 GLY A 137
SER A 162
ASP A 187
THR A 189
LEU A 205
 SAH  A 501 (-3.5A)
None
SAH  A 501 (-4.2A)
None
SAH  A 501 (-4.3A)
 0.62A 3iv6A-6gkvA:
14.1		 3iv6A-6gkvA:
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.
6gkv COCLAURINE
N-METHYLTRANSFERASE

(Coptis japonica) 		no annotation 5 SER A 162
ASP A 187
ILE A 188
THR A 189
LEU A 205
 None
SAH  A 501 (-4.2A)
SAH  A 501 (-3.9A)
None
SAH  A 501 (-4.3A)
 0.75A 3iv6A-6gkvA:
14.1		 3iv6A-6gkvA:
undetectable