SIMILAR PATTERNS OF AMINO ACIDS FOR 3APV_B_TP0B190_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.
1a4e CATALASE A

(Saccharomyces
cerevisiae) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 VAL A 121
PHE A 322
HIS A  70
ALA A  71
SER A 117
 None
None
HEM  A 503 ( 3.4A)
None
None
 1.17A 3apvB-1a4eA:
0.0		 3apvB-1a4eA:
17.21
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.
1dxj CLASS II CHITINASE

(Canavalia
ensiformis) 		PF00182
(Glyco_hydro_19) 		5 VAL A  88
PHE A  61
LEU A  62
ALA A  34
SER A 149
 None
 1.36A 3apvB-1dxjA:
undetectable		 3apvB-1dxjA:
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.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 PHE A 209
PHE A 198
LEU A 390
HIS A 386
TYR A 348
 None
None
HEM  A 601 ( 4.7A)
HEM  A 601 (-3.8A)
None
 1.22A 3apvB-1ebvA:
0.0		 3apvB-1ebvA:
15.76
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.
1h4l CELL DIVISION
PROTEIN KINASE 5

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A  80
LEU A  66
ALA A 148
SER A  47
TYR A  15
 None
 1.43A 3apvB-1h4lA:
0.0		 3apvB-1h4lA:
21.21
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.
1ovm INDOLE-3-PYRUVATE
DECARBOXYLASE

(Enterobacter
cloacae) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 VAL A 270
PHE A 401
LEU A 395
GLU A 252
SER A 262
 None
 1.40A 3apvB-1ovmA:
0.0		 3apvB-1ovmA:
15.40
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.
1qf7 PROTEIN (CATALASE
HPII)

(Escherichia
coli) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 VAL A 179
PHE A 382
HIS A 128
ALA A 129
SER A 175
 None
None
HEM  A 754 ( 3.3A)
None
None
 1.14A 3apvB-1qf7A:
2.0		 3apvB-1qf7A:
13.26
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.
1tuf DIAMINOPIMELATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 PHE A  65
PHE A  76
LEU A 301
SER A 308
TYR A  61
 None
None
None
LLP  A  83 ( 4.7A)
None
 1.45A 3apvB-1tufA:
undetectable		 3apvB-1tufA:
16.48
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.
1ufo HYPOTHETICAL PROTEIN
TT1662

(Thermus
thermophilus) 		no annotation 5 VAL A 118
LEU A  13
GLU A  91
ARG A  65
HIS A  62
 None
 1.35A 3apvB-1ufoA:
undetectable		 3apvB-1ufoA:
22.03
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.
1wlo SUFE PROTEIN

(Thermus
thermophilus) 		PF02657
(SufE) 		5 PHE A  51
VAL A  53
PHE A 101
LEU A   6
ALA A  77
 None
 1.43A 3apvB-1wloA:
0.0		 3apvB-1wloA:
21.51
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.
1zel HYPOTHETICAL PROTEIN
RV2827C

(Mycobacterium
tuberculosis) 		PF09407
(AbiEi_1)
PF13338
(AbiEi_4) 		5 VAL A   1
PHE A  99
LEU A 175
ARG A  88
ALA A  92
 None
 1.45A 3apvB-1zelA:
0.0		 3apvB-1zelA:
20.54
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.
1zun SULFATE
ADENYLYLTRANSFERASE
SUBUNIT 2

(Pseudomonas
syringae) 		PF01507
(PAPS_reduct) 		5 TYR A 196
PHE A 131
PHE A  57
HIS A  44
SER A  15
 None
 1.47A 3apvB-1zunA:
undetectable		 3apvB-1zunA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2avf COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
cycloclastes) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 PHE A 320
TYR A 303
LEU A  72
HIS A 245
ALA A 291
 None
 1.47A 3apvB-2avfA:
undetectable		 3apvB-2avfA:
20.91
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 TYR A 193
PHE A 154
PHE A 164
LEU A 153
ALA A 218
 None
 1.44A 3apvB-2pajA:
undetectable		 3apvB-2pajA:
17.28
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.
2tmk THYMIDYLATE KINASE

(Saccharomyces
cerevisiae) 		PF02223
(Thymidylate_kin) 		5 LEU A  53
GLU A 149
ARG A  41
SER A  98
TYR A 102
 ATM  A 217 ( 4.7A)
ATM  A 217 ( 4.9A)
ATM  A 217 (-4.0A)
ATM  A 217 ( 4.8A)
ATM  A 217 (-3.4A)
 1.46A 3apvB-2tmkA:
undetectable		 3apvB-2tmkA:
24.67
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.
2w0s THYMIDYLATE KINASE

(Vaccinia virus) 		PF02223
(Thymidylate_kin) 		5 LEU A  53
GLU A 142
ARG A  41
SER A  97
TYR A 101
 BVP  A1207 ( 4.6A)
MG  A1206 (-4.3A)
BVP  A1207 (-3.7A)
BVP  A1207 ( 4.2A)
BVP  A1207 (-3.7A)
 1.40A 3apvB-2w0sA:
undetectable		 3apvB-2w0sA:
24.55
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.
2yof THYMIDYLATE KINASE

(Plasmodium
falciparum) 		PF02223
(Thymidylate_kin) 		5 LEU A  59
GLU A 151
ARG A  47
SER A 103
TYR A 107
 74W  A 211 (-4.6A)
74W  A 211 (-3.2A)
74W  A 211 (-4.6A)
74W  A 211 ( 4.4A)
74W  A 211 (-3.5A)
 1.41A 3apvB-2yofA:
undetectable		 3apvB-2yofA:
20.18
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.
2zqp PREPROTEIN
TRANSLOCASE SECY
SUBUNIT

(Thermus
thermophilus) 		PF00344
(SecY) 		5 VAL Y 157
PHE Y  67
PHE Y  56
LEU Y  48
ALA Y 133
 None
 1.26A 3apvB-2zqpY:
undetectable		 3apvB-2zqpY:
15.63
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3apu ALPHA-1-ACID
GLYCOPROTEIN 2

(Homo sapiens) 		PF00061
(Lipocalin) 		11 PHE A  32
TYR A  37
VAL A  41
PHE A  49
PHE A  51
LEU A  62
GLU A  64
ARG A  90
HIS A  97
ALA A  99
SER A 125
 None
None
PG4  A 190 (-4.9A)
PG4  A 190 ( 4.1A)
None
None
PG4  A 190 (-4.1A)
PG4  A 190 (-4.3A)
None
PG4  A 190 ( 4.2A)
PG4  A 190 ( 3.7A)
 0.71A 3apvB-3apuA:
32.5		 3apvB-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3apu ALPHA-1-ACID
GLYCOPROTEIN 2

(Homo sapiens) 		PF00061
(Lipocalin) 		11 PHE A  32
TYR A  37
VAL A  41
PHE A  49
PHE A  51
LEU A  62
GLU A  64
HIS A  97
ALA A  99
SER A 125
TYR A 127
 None
None
PG4  A 190 (-4.9A)
PG4  A 190 ( 4.1A)
None
None
PG4  A 190 (-4.1A)
None
PG4  A 190 ( 4.2A)
PG4  A 190 ( 3.7A)
None
 0.49A 3apvB-3apuA:
32.5		 3apvB-3apuA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3apu ALPHA-1-ACID
GLYCOPROTEIN 2

(Homo sapiens) 		PF00061
(Lipocalin) 		8 PHE A  32
TYR A  37
VAL A  41
PHE A  51
LEU A  79
HIS A  97
SER A 125
TYR A 127
 None
None
PG4  A 190 (-4.9A)
None
None
None
PG4  A 190 ( 3.7A)
None
 1.41A 3apvB-3apuA:
32.5		 3apvB-3apuA:
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.
3gnr OS03G0212800 PROTEIN

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		5 PHE A 301
LEU A 223
GLU A 305
ARG A 149
TYR A 286
 PHE  A 301 ( 1.3A)
LEU  A 223 ( 0.5A)
GLU  A 305 ( 0.6A)
ARG  A 149 ( 0.6A)
TYR  A 286 ( 1.3A)
 1.36A 3apvB-3gnrA:
undetectable		 3apvB-3gnrA:
16.87
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.
3h8m EPHRIN TYPE-A
RECEPTOR 7

(Homo sapiens) 		PF00536
(SAM_1) 		5 PHE A 944
TYR A 949
VAL A 928
LEU A 989
ARG A 957
 PHE  A 944 ( 1.4A)
TYR  A 949 ( 1.3A)
VAL  A 928 ( 0.6A)
LEU  A 989 ( 0.5A)
ARG  A 957 ( 0.6A)
 1.49A 3apvB-3h8mA:
undetectable		 3apvB-3h8mA:
17.35
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.
3jd5 28S RIBOSOMAL
PROTEIN S23,
MITOCHONDRIAL
28S RIBOSOMAL
PROTEIN S5,
MITOCHONDRIAL

(Bos taurus) 		PF00318
(Ribosomal_S2)
PF00333
(Ribosomal_S5)
PF03719
(Ribosomal_S5_C) 		5 PHE E 218
VAL b  24
LEU b   6
HIS E 277
ALA E 275
 None
None
None
C  A 629 ( 3.7A)
None
 1.43A 3apvB-3jd5E:
undetectable		 3apvB-3jd5E:
16.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1

(Homo sapiens) 		PF00061
(Lipocalin) 		7 PHE A  32
PHE A  49
PHE A  51
HIS A  97
ALA A  99
SER A 125
TYR A 127
 None
JIM  A 193 (-3.8A)
None
None
JIM  A 193 ( 4.0A)
None
None
 0.89A 3apvB-3kq0A:
28.1		 3apvB-3kq0A:
86.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1

(Homo sapiens) 		PF00061
(Lipocalin) 		6 PHE A  32
PHE A  51
LEU A  79
HIS A  97
SER A 125
TYR A 127
 None
 1.29A 3apvB-3kq0A:
28.1		 3apvB-3kq0A:
86.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1

(Homo sapiens) 		PF00061
(Lipocalin) 		9 PHE A  32
VAL A  41
PHE A  49
PHE A  51
LEU A  62
GLU A  64
ALA A  99
SER A 125
TYR A 127
 None
None
JIM  A 193 (-3.8A)
None
None
None
JIM  A 193 ( 4.0A)
None
None
 0.68A 3apvB-3kq0A:
28.1		 3apvB-3kq0A:
86.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1

(Homo sapiens) 		PF00061
(Lipocalin) 		8 PHE A  32
VAL A  41
PHE A  49
PHE A  51
LEU A  62
GLU A  64
ARG A  90
ALA A  99
 None
None
JIM  A 193 (-3.8A)
None
None
None
JIM  A 193 (-4.3A)
JIM  A 193 ( 4.0A)
 0.91A 3apvB-3kq0A:
28.1		 3apvB-3kq0A:
86.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1

(Homo sapiens) 		PF00061
(Lipocalin) 		5 PHE A  51
LEU A  62
ARG A  90
ALA A  99
TYR A 110
 None
None
JIM  A 193 (-4.3A)
JIM  A 193 ( 4.0A)
None
 1.44A 3apvB-3kq0A:
28.1		 3apvB-3kq0A:
86.24
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.
3mq3 PYRUVATE
DEHYDROGENASE
PHOSPHATASE 1

(Bos taurus) 		PF00481
(PP2C) 		5 VAL A 285
LEU A 136
GLU A 179
ARG A  87
ALA A  79
 None
 1.36A 3apvB-3mq3A:
undetectable		 3apvB-3mq3A:
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.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		5 PHE A 326
VAL A  90
PHE A  55
LEU A 288
HIS A  22
 None
None
None
None
ZN  A 333 ( 3.3A)
 1.31A 3apvB-3pnzA:
undetectable		 3apvB-3pnzA:
16.31
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.
3prx COBRA VENOM FACTOR

(Naja kaouthia) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 PHE B1343
TYR B1371
VAL B1430
PHE B 262
LEU B 280
 None
 1.35A 3apvB-3prxB:
undetectable		 3apvB-3prxB:
7.44
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.
3ps9 TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC

(Escherichia
coli) 		PF01266
(DAO)
PF05430
(Methyltransf_30) 		5 TYR A 521
PHE A 326
LEU A 322
ALA A 569
SER A 617
 None
 1.09A 3apvB-3ps9A:
undetectable		 3apvB-3ps9A:
12.71
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.
3pxp HELIX-TURN-HELIX
DOMAIN PROTEIN

(Chloroflexus
aurantiacus) 		PF13560
(HTH_31) 		5 PHE A 161
VAL A 164
PHE A 269
LEU A 272
TYR A 239
 MYR  A 301 (-4.6A)
None
None
None
None
 1.44A 3apvB-3pxpA:
undetectable		 3apvB-3pxpA:
17.91
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.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		5 VAL A  88
PHE A  61
LEU A  62
ALA A  34
SER A 149
 None
 1.37A 3apvB-3w3eA:
undetectable		 3apvB-3w3eA:
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		5 PHE A  21
PHE A 158
LEU A 157
GLU A 156
ARG A 101
 None
 1.30A 3apvB-4aefA:
undetectable		 3apvB-4aefA:
12.77
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.
4dji PROBABLE
GLUTAMATE/GAMMA-AMIN
OBUTYRATE ANTIPORTER

(Escherichia
coli) 		PF13520
(AA_permease_2) 		5 PHE A  35
TYR A  32
GLU A 304
ALA A 245
SER A 213
 None
 1.35A 3apvB-4djiA:
undetectable		 3apvB-4djiA:
16.24
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 PHE B 979
TYR B 972
VAL B 970
LEU B 411
HIS B 958
 None
 1.43A 3apvB-4f92B:
undetectable		 3apvB-4f92B:
9.02
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.
4fkz UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
subtilis) 		PF02350
(Epimerase_2) 		5 PHE A 253
VAL A 259
PHE A 279
LEU A 334
ALA A 222
 None
 1.33A 3apvB-4fkzA:
undetectable		 3apvB-4fkzA:
20.20
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.
4goj PROTEIN UNC-119
HOMOLOG A

(Homo sapiens) 		PF05351
(GMP_PDE_delta) 		5 PHE C 159
PHE C 149
HIS C 192
SER C 218
TYR C 220
 None
 1.45A 3apvB-4gojC:
undetectable		 3apvB-4gojC:
18.44
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.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		5 TYR A 370
LEU A 170
HIS A  69
ALA A 205
SER A 259
 None
 1.45A 3apvB-4j9tA:
undetectable		 3apvB-4j9tA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		5 PHE A  43
PHE A 211
GLU A 212
ALA A 216
TYR A 196
 X1X  A 401 (-4.7A)
None
None
None
X1X  A 401 (-3.7A)
 1.46A 3apvB-4nx1A:
undetectable		 3apvB-4nx1A:
18.37
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.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		5 PHE A 210
PHE A 199
LEU A 391
HIS A 387
TYR A 349
 EDO  A 616 (-3.5A)
None
None
HEM  A 602 (-3.7A)
None
 1.19A 3apvB-4ph9A:
undetectable		 3apvB-4ph9A:
15.04
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.
4tm3 KTZI

(Kutzneria sp.
744) 		PF13434
(K_oxygenase) 		5 TYR A 346
LEU A  56
GLU A 212
ARG A 104
HIS A  51
 FAD  A 501 ( 4.3A)
None
None
FAD  A 501 ( 4.2A)
FAD  A 501 (-3.7A)
 1.34A 3apvB-4tm3A:
undetectable		 3apvB-4tm3A:
15.96
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.
4tx7 CLASS I CHITINASE

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		5 VAL A 132
PHE A 105
LEU A 106
ALA A  78
SER A 194
 None
 1.37A 3apvB-4tx7A:
undetectable		 3apvB-4tx7A:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y9v PARTICLE-ASSOCIATED
LYASE

(Acinetobacter
virus AP22) 		no annotation 5 VAL A 176
PHE A 216
PHE A 208
LEU A 318
HIS A 180
 EDO  A 808 ( 3.6A)
None
None
None
EDO  A 805 (-4.6A)
 1.36A 3apvB-4y9vA:
undetectable		 3apvB-4y9vA:
14.22
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.
4yzg PROTEIN PHOSPHATASE
2C 57

(Arabidopsis
thaliana) 		PF00481
(PP2C) 		5 PHE A 236
VAL A 141
PHE A  86
ALA A 176
TYR A  88
 None
 1.34A 3apvB-4yzgA:
undetectable		 3apvB-4yzgA:
21.64
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.
5akr COPPER-CONTAINING
NITRITE REDUCTASE

(Achromobacter
cycloclastes) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 PHE A 320
TYR A 303
LEU A  72
HIS A 245
ALA A 291
 None
 1.49A 3apvB-5akrA:
undetectable		 3apvB-5akrA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5
ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
8

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		5 PHE A 403
PHE B 595
PHE B 654
LEU B 650
SER B 569
 None
 1.34A 3apvB-5do7A:
undetectable		 3apvB-5do7A:
13.32
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.
5ejj UFM1-SPECIFIC
PROTEASE

(Caenorhabditis
elegans) 		PF07910
(Peptidase_C78) 		5 VAL A 133
PHE A 128
PHE A 104
LEU A 106
HIS A  59
 None
 1.24A 3apvB-5ejjA:
undetectable		 3apvB-5ejjA:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5evy SALICYLATE
HYDROXYLASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		5 TYR X 134
PHE X 296
LEU X 299
ALA X 158
SER X 165
 None
 1.48A 3apvB-5evyX:
undetectable		 3apvB-5evyX:
16.74
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.
5g5u BETA-HEXOSAMINIDASE

(Pseudomonas
aeruginosa) 		PF00933
(Glyco_hydro_3) 		5 TYR A 212
VAL A 215
LEU A 235
GLU A 234
SER A 223
 None
 1.31A 3apvB-5g5uA:
undetectable		 3apvB-5g5uA:
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.
5gnm VITAMIN D(3)
25-HYDROXYLASE

(Pseudonocardia
autotrophica) 		PF00067
(p450) 		5 VAL A 308
PHE A  14
PHE A  18
LEU A  13
ALA A 314
 None
 1.42A 3apvB-5gnmA:
undetectable		 3apvB-5gnmA:
18.69
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.
5jvf SITE-DETERMINING
PROTEIN

(Pseudomonas
aeruginosa) 		PF10609
(ParA) 		5 VAL A  79
PHE A 114
PHE A 266
LEU A 124
ALA A  47
 None
 1.26A 3apvB-5jvfA:
undetectable		 3apvB-5jvfA:
20.42
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.
5nno ALDEHYDE
DEHYDROGENASE

(Trypanosoma
brucei) 		PF00171
(Aldedh) 		5 PHE A 291
LEU A 292
GLU A 339
ARG A 283
ALA A 255
 None
 1.35A 3apvB-5nnoA:
undetectable		 3apvB-5nnoA:
15.10
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.
5u2l HEAT SHOCK PROTEIN
104

(Candida
albicans) 		PF02861
(Clp_N) 		5 VAL A  93
PHE A 128
PHE A  63
HIS A  31
ALA A  35
 None
 1.17A 3apvB-5u2lA:
undetectable		 3apvB-5u2lA:
22.12
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.
5wai POLYCOMB PROTEIN
SUZ12

(Homo sapiens) 		no annotation 5 PHE B 237
VAL B 301
PHE B 161
LEU B 184
SER B 233
 None
 1.48A 3apvB-5waiB:
undetectable		 3apvB-5waiB:
19.05
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.
5y0s THERMOTOGA MARITIMA
TMCAL

(Thermotoga
maritima) 		no annotation 5 VAL A 326
PHE A 275
PHE A 283
LEU A 279
ARG A 309
 None
 1.49A 3apvB-5y0sA:
undetectable		 3apvB-5y0sA:
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.
6bni LYSINE--TRNA LIGASE

(Cryptosporidium
parvum) 		no annotation 5 PHE A 456
PHE A 230
PHE A 235
LEU A 233
ALA A 317
 None
 1.31A 3apvB-6bniA:
undetectable		 3apvB-6bniA:
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.
6cpy GRMZM2G135359
PSEUDOKINASE

(Zea mays) 		no annotation 5 PHE A 357
LEU A 354
HIS A 284
ALA A 370
TYR A 405
 None
 1.43A 3apvB-6cpyA:
undetectable		 3apvB-6cpyA:
16.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 654
VAL A 658
PHE A 734
PHE A 744
LEU A 699
 None
 1.37A 3apvB-6eojA:
undetectable		 3apvB-6eojA:
9.05