SIMILAR PATTERNS OF AMINO ACIDS FOR 4KQ8_A_ASDA602

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.
1jov HI1317

(Haemophilus
influenzae) 		PF01263
(Aldose_epim) 		5 ILE A  75
ALA A 148
THR A 249
VAL A 264
MET A 127
 None
 1.49A 4kq8A-1jovA:
undetectable		 4kq8A-1jovA:
18.14
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 ILE A  18
ALA A  17
ASP A 151
THR A 152
VAL A 232
 None
 1.36A 4kq8A-1kq3A:
0.0		 4kq8A-1kq3A:
21.97
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.
1qvr CLPB PROTEIN

(Thermus
thermophilus) 		PF00004
(AAA)
PF02861
(Clp_N)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small) 		5 ARG A 342
ILE A 361
ILE A 526
ALA A 363
VAL A 334
 None
 1.33A 4kq8A-1qvrA:
undetectable		 4kq8A-1qvrA:
19.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tyg THIAZOLE
BIOSYNTHESIS PROTEIN
THIG

(Bacillus
subtilis) 		PF05690
(ThiG) 		5 ILE A 184
ALA A 181
VAL A 229
MET A 252
LEU A 169
 None
 1.39A 4kq8A-1tygA:
0.0		 4kq8A-1tygA:
20.25
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.
1wy7 HYPOTHETICAL PROTEIN
PH1948

(Pyrococcus
horikoshii) 		PF05175
(MTS) 		5 ILE A 117
ALA A  54
ASP A  55
VAL A 101
LEU A  92
 None
None
SAH  A1001 ( 4.5A)
None
None
 1.36A 4kq8A-1wy7A:
0.0		 4kq8A-1wy7A:
18.12
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.
1xkf HYPOTHETICAL PROTEIN
RV2626C

(Mycobacterium
tuberculosis) 		PF00571
(CBS) 		5 ILE A 113
ILE A  33
ALA A  35
VAL A  99
MET A  90
 None
 1.46A 4kq8A-1xkfA:
undetectable		 4kq8A-1xkfA:
15.89
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.
2b8e CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 ILE A 571
ASP A 424
THR A 428
VAL A 635
LEU A 626
 None
 1.36A 4kq8A-2b8eA:
0.0		 4kq8A-2b8eA:
20.12
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.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE

(Thermus
thermophilus) 		PF00464
(SHMT) 		5 ILE A 251
ALA A 100
VAL A 219
MET A 198
LEU A 237
 None
 1.32A 4kq8A-2dkjA:
0.0		 4kq8A-2dkjA:
21.12
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.
2ko1 GTP
PYROPHOSPHOKINASE

(Chlorobaculum
tepidum) 		PF13291
(ACT_4) 		5 ARG A  77
ILE A   8
ILE A  26
THR A  31
VAL A  53
 None
 1.27A 4kq8A-2ko1A:
undetectable		 4kq8A-2ko1A:
12.05
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.
2voy CATION-TRANSPORTING
ATPASE

(Archaeoglobus
fulgidus) 		PF00702
(Hydrolase) 		5 ILE I 571
ASP I 424
THR I 428
VAL I 635
LEU I 626
 None
 1.36A 4kq8A-2voyI:
undetectable		 4kq8A-2voyI:
12.00
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.
2wd9 ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL

(Homo sapiens) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 ILE A 260
ILE A 305
THR A 299
VAL A 295
LEU A 318
 None
 1.48A 4kq8A-2wd9A:
undetectable		 4kq8A-2wd9A:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e4e CYTOCHROME P450 2E1

(Homo sapiens) 		PF00067
(p450) 		5 ARG A 100
ILE A 115
ALA A 299
THR A 303
VAL A 364
 HEM  A 500 (-2.4A)
HEM  A 500 (-4.0A)
HEM  A 500 ( 3.3A)
4PZ  A 501 ( 2.8A)
HEM  A 500 ( 4.4A)
 0.67A 4kq8A-3e4eA:
37.1		 4kq8A-3e4eA:
28.71
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Streptococcus
pneumoniae) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 ALA A 578
ASP A 588
THR A 575
VAL A 573
MET A 597
 None
CA  A2000 (-2.3A)
None
None
None
 1.39A 4kq8A-3ecqA:
undetectable		 4kq8A-3ecqA:
14.38
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.
3ehd UNCHARACTERIZED
CONSERVED PROTEIN

(Enterococcus
faecalis) 		PF05014
(Nuc_deoxyrib_tr) 		5 ILE A  56
ALA A  57
ASP A  60
THR A  61
VAL A  89
 None
None
GOL  A1001 (-4.2A)
None
None
 0.96A 4kq8A-3ehdA:
undetectable		 4kq8A-3ehdA:
16.20
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.
3enk UDP-GLUCOSE
4-EPIMERASE

(Burkholderia
pseudomallei) 		PF16363
(GDP_Man_Dehyd) 		5 ILE A  78
ILE A   7
ALA A  81
THR A  10
VAL A  63
 None
None
None
None
NAD  A 341 (-3.6A)
 1.40A 4kq8A-3enkA:
undetectable		 4kq8A-3enkA:
21.97
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.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 ARG A 628
ILE A 627
ILE A 495
VAL A 609
LEU A 614
 None
 1.36A 4kq8A-3k1jA:
undetectable		 4kq8A-3k1jA:
21.99
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.
3kfu NON-DISCRIMINATING
AND ARCHAEAL-TYPE
ASPARTYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		5 ARG A 133
ILE A 392
ALA A 394
THR A 398
VAL A 127
 None
 1.35A 4kq8A-3kfuA:
undetectable		 4kq8A-3kfuA:
21.74
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.
3l9b OTOFERLIN

(Rattus
norvegicus) 		PF00168
(C2) 		5 ILE A   4
ALA A   2
VAL A  88
MET A 114
LEU A  62
 None
 1.28A 4kq8A-3l9bA:
undetectable		 4kq8A-3l9bA:
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.
3lf0 NITROGEN REGULATORY
PROTEIN P-II

(Mycobacterium
tuberculosis) 		PF00543
(P-II) 		5 ILE A  69
ALA A  23
VAL A  63
MET A   1
LEU A 112
 None
 0.89A 4kq8A-3lf0A:
undetectable		 4kq8A-3lf0A:
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.
3lkd TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLTRANSFERASE
SUBUNIT

(Streptococcus
thermophilus) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ILE A 382
ILE A 404
THR A 401
VAL A 362
LEU A 340
 None
 1.39A 4kq8A-3lkdA:
undetectable		 4kq8A-3lkdA:
22.51
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.
3mt0 UNCHARACTERIZED
PROTEIN PA1789

(Pseudomonas
aeruginosa) 		PF00582
(Usp) 		5 ILE A 104
ALA A 103
ASP A 262
VAL A 268
LEU A 113
 None
 1.29A 4kq8A-3mt0A:
undetectable		 4kq8A-3mt0A:
18.41
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.
3nz4 PHENYLALANINE
AMMONIA-LYASE

(Taxus
canadensis) 		PF00221
(Lyase_aromatic) 		5 ARG A 664
ILE A 483
ALA A 484
THR A 488
VAL A 632
 None
 1.25A 4kq8A-3nz4A:
undetectable		 4kq8A-3nz4A:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		5 ALA A  17
ASP A  14
THR A  15
VAL A 217
LEU A 221
 None
CA  A 400 (-2.3A)
None
None
None
 1.44A 4kq8A-3t8iA:
undetectable		 4kq8A-3t8iA:
18.92
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.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		5 ILE A 121
ASP A  14
THR A  15
VAL A 217
LEU A 221
 CA  A 400 ( 4.8A)
CA  A 400 (-2.3A)
None
None
None
 1.36A 4kq8A-3t8iA:
undetectable		 4kq8A-3t8iA:
18.92
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.
3uk1 TRANSKETOLASE

(Burkholderia
thailandensis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A 579
ALA A 605
VAL A 566
MET A 610
LEU A 628
 None
 1.06A 4kq8A-3uk1A:
undetectable		 4kq8A-3uk1A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 ILE A 370
ALA A 371
THR A 489
VAL A 412
MET A 977
 None
 1.48A 4kq8A-3w9hA:
undetectable		 4kq8A-3w9hA:
17.89
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.
4ac3 BIFUNCTIONAL PROTEIN
GLMU

(Streptococcus
pneumoniae) 		PF00132
(Hexapep)
PF00483
(NTP_transferase)
PF14602
(Hexapep_2) 		5 ILE A  99
ILE A   6
ALA A   5
THR A  48
LEU A  33
 None
 1.32A 4kq8A-4ac3A:
undetectable		 4kq8A-4ac3A:
23.54
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		5 ARG A 327
ILE B 325
ILE B 226
ALA A 323
VAL B 507
 None
 1.30A 4kq8A-4cakA:
undetectable		 4kq8A-4cakA:
18.15
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.
4ct3 ORF30/ORF32

(Staphylococcus
virus K) 		PF05257
(CHAP) 		5 ILE A 159
ILE A 118
THR A  72
VAL A  70
LEU A  65
 None
CMH  A1166 (-4.7A)
None
None
None
 1.21A 4kq8A-4ct3A:
undetectable		 4kq8A-4ct3A:
13.42
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.
4ddw REVERSE GYRASE

(Thermotoga
maritima) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 ARG A 589
ILE A 571
ILE A 656
ALA A 652
VAL A 592
 None
 1.11A 4kq8A-4ddwA:
undetectable		 4kq8A-4ddwA:
18.00
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.
4jdy PYRIDOXAL
BIOSYNTHESIS LYASE
PDXS

(Mycobacterium
tuberculosis) 		PF01680
(SOR_SNZ) 		5 ILE A 256
ILE A 220
ALA A 221
ASP A 225
LEU A 269
 None
 1.47A 4kq8A-4jdyA:
undetectable		 4kq8A-4jdyA:
18.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nas RIBULOSE-BISPHOSPHAT
E CARBOXYLASE

(Alicyclobacillus
acidocaldarius) 		PF00016
(RuBisCO_large) 		5 ILE A 263
ALA A 296
ASP A 297
VAL A 356
LEU A 173
 None
 1.48A 4kq8A-4nasA:
undetectable		 4kq8A-4nasA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rgq GLYCEROL-1-PHOSPHATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF13685
(Fe-ADH_2) 		5 ILE A  16
ALA A  15
ASP A 130
THR A 131
VAL A 202
 None
 1.37A 4kq8A-4rgqA:
undetectable		 4kq8A-4rgqA:
21.16
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.
4upk PHOSPHONATE
MONOESTER HYDROLASE

(Ruegeria
pomeroyi) 		PF00884
(Sulfatase) 		5 ILE A  12
ILE A 295
ASP A 292
VAL A  28
LEU A  20
 None
 1.47A 4kq8A-4upkA:
undetectable		 4kq8A-4upkA:
22.69
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.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 ILE E 137
ALA E 139
ASP E 112
MET E 173
LEU E  69
 None
 1.42A 4kq8A-4whbE:
undetectable		 4kq8A-4whbE:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wuv 2-HYDROXYCYCLOHEXANE
CARBOXYL-COA
DEHYDROGENASE

(Haemophilus
influenzae) 		PF00106
(adh_short) 		5 ILE A  95
ILE A  42
ALA A  40
THR A  38
LEU A 256
 None
 1.21A 4kq8A-4wuvA:
undetectable		 4kq8A-4wuvA:
18.49
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.
4z79 LEIOMODIN-1
ACTIN-BINDING SITE 2
(ABS2)

(Homo sapiens) 		no annotation 5 ILE A 379
ILE A 399
ALA A 371
THR A 369
VAL A 337
 None
None
None
None
GOL  A 501 ( 4.8A)
 1.22A 4kq8A-4z79A:
undetectable		 4kq8A-4z79A:
17.01
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.
5bw4 16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE

(Catenulispora
acidiphila) 		no annotation 5 TRP A  23
ILE A  33
ALA A 104
VAL A  96
LEU A   7
 None
 1.30A 4kq8A-5bw4A:
undetectable		 4kq8A-5bw4A:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
5

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		5 ILE A 156
ALA A 155
THR A 151
MET A 214
LEU A 207
 None
 1.41A 4kq8A-5do7A:
undetectable		 4kq8A-5do7A:
23.44
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.
5gnm VITAMIN D(3)
25-HYDROXYLASE

(Pseudonocardia
autotrophica) 		PF00067
(p450) 		5 ILE A  88
ILE A 235
ALA A 236
THR A 240
VAL A 283
 HEM  A 501 ( 4.4A)
None
HEM  A 501 (-3.6A)
HEM  A 501 (-3.7A)
HEM  A 501 (-4.7A)
 1.03A 4kq8A-5gnmA:
28.5		 4kq8A-5gnmA:
23.11
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.
5gnm VITAMIN D(3)
25-HYDROXYLASE

(Pseudonocardia
autotrophica) 		PF00067
(p450) 		5 ILE A 235
ALA A 236
THR A 240
VAL A 283
MET A 309
 None
HEM  A 501 (-3.6A)
HEM  A 501 (-3.7A)
HEM  A 501 (-4.7A)
None
 0.86A 4kq8A-5gnmA:
28.5		 4kq8A-5gnmA:
23.11
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.
5grv HOMO-SPECIFIC
DIABODY HEAVY CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 ILE L  86
ALA L  87
ASP L  89
THR L  90
LEU L  17
 None
 1.07A 4kq8A-5grvL:
undetectable		 4kq8A-5grvL:
12.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h6s AMIDASE

(Microbacterium
sp. HM58-2) 		PF01425
(Amidase) 		5 ILE A 427
ILE A 284
ALA A 282
ASP A 281
LEU A 272
 None
 1.12A 4kq8A-5h6sA:
undetectable		 4kq8A-5h6sA:
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.
5nfu SERINE/THREONINE-PRO
TEIN KINASE PLK1

(Homo sapiens) 		no annotation 5 ILE A 532
ILE A 521
ALA A 520
THR A 517
LEU A 590
 None
 1.18A 4kq8A-5nfuA:
undetectable		 4kq8A-5nfuA:
9.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A
METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
G

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6) 		5 ILE E 156
ALA E 157
VAL E  33
MET F 130
LEU E  35
 None
 1.27A 4kq8A-5odrE:
undetectable		 4kq8A-5odrE:
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 5 ILE A 629
ILE A 699
ALA A 696
THR A 694
LEU A 647
 None
 1.21A 4kq8A-5whsA:
undetectable		 4kq8A-5whsA:
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.
5x7n DIAMINOPIMELATE
DECARBOXYLASE

(Corynebacterium
glutamicum) 		no annotation 5 ILE A  82
TRP A  85
ALA A 305
THR A 309
VAL A 420
 None
 1.08A 4kq8A-5x7nA:
undetectable		 4kq8A-5x7nA:
11.31
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.
5ysm CYTOCHROME P450

(Amycolatopsis
mediterranei) 		no annotation 5 ILE A 107
ILE A 255
ALA A 256
THR A 260
VAL A 303
 HEM  A 501 (-4.2A)
None
HEM  A 501 (-3.4A)
HEM  A 501 (-3.7A)
None
 0.95A 4kq8A-5ysmA:
29.7		 4kq8A-5ysmA:
11.96
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.
5zvt C-TERMINUS OF OUTER
CAPSID PROTEIN VP5

(Aquareovirus C) 		no annotation 5 ILE B 507
ALA B 506
ASP B 505
THR B 474
VAL B 480
 None
 1.28A 4kq8A-5zvtB:
undetectable		 4kq8A-5zvtB:
9.17
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.
6cwo RIBONUCLEOTIDE
REDUCTASE

(Flavobacterium
johnsoniae) 		no annotation 5 ALA A  39
ASP A  40
THR A  41
VAL A 110
LEU A 107
 None
 1.21A 4kq8A-6cwoA:
undetectable		 4kq8A-6cwoA:
11.01