SIMILAR PATTERNS OF AMINO ACIDS FOR 3PCQ_A_PQNA847

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.
1jl2 CHIMERA OF
RIBONUCLEASE HI,
RIBONUCLEASE H

(Escherichia
coli;
Thermus
thermophilus) 		PF00075
(RNase_H) 		5 SER A  12
GLY A  21
ALA A 140
LEU A 137
GLY A  23
 None
 1.43A 3pcqA-1jl2A:
undetectable		 3pcqA-1jl2A:
9.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l0q SURFACE LAYER
PROTEIN

(Methanosarcina
mazei) 		PF00801
(PKD)
PF10282
(Lactonase) 		5 SER A 291
GLY A 292
ALA A 122
LEU A 121
GLY A  78
 None
 1.41A 3pcqA-1l0qA:
0.0		 3pcqA-1l0qA:
19.46
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.
1nio B-LUFFIN

(Luffa
aegyptiaca) 		PF00161
(RIP) 		5 PHE A 151
ARG A 113
ALA A 117
LEU A 114
GLY A 109
 None
 1.49A 3pcqA-1nioA:
0.0		 3pcqA-1nioA:
14.99
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.
1ogy PERIPLASMIC NITRATE
REDUCTASE

(Rhodobacter
sphaeroides) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 PHE A 140
SER A 142
ALA A 132
LEU A 135
GLY A 139
 None
 1.06A 3pcqA-1ogyA:
undetectable		 3pcqA-1ogyA:
21.33
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.
1pxz MAJOR POLLEN
ALLERGEN JUN A 1

(Juniperus ashei) 		PF00544
(Pec_lyase_C) 		5 MET A 155
SER A 182
GLY A 181
LEU A 201
GLY A 202
 None
 1.42A 3pcqA-1pxzA:
undetectable		 3pcqA-1pxzA:
19.14
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.
1q3x MANNAN-BINDING
LECTIN SERINE
PROTEASE 2

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		5 GLY A 572
TRP A 573
ALA A 582
LEU A 581
GLY A 631
 None
 1.22A 3pcqA-1q3xA:
undetectable		 3pcqA-1q3xA:
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 SER A 661
GLY A 653
ARG A 455
LEU A 651
GLY A 649
 None
 1.00A 3pcqA-1r8wA:
undetectable		 3pcqA-1r8wA:
21.60
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.
1wsj RIBONUCLEASE HI

(Escherichia
coli) 		PF00075
(RNase_H) 		5 SER A  12
GLY A  21
ALA A 139
LEU A 136
GLY A  23
 None
 1.41A 3pcqA-1wsjA:
undetectable		 3pcqA-1wsjA:
11.61
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.
2anu HYPOTHETICAL PROTEIN
TM0559

(Thermotoga
maritima) 		no annotation 5 PHE A  12
SER A  41
GLY A  95
ALA A 134
LEU A 135
 None
 1.40A 3pcqA-2anuA:
undetectable		 3pcqA-2anuA:
15.53
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.
2nq2 HYPOTHETICAL ABC
TRANSPORTER PERMEASE
PROTEIN HI1471

(Haemophilus
influenzae) 		PF01032
(FecCD) 		5 PHE A 129
SER A 103
GLY A 102
LEU A 132
GLY A 130
 None
 1.25A 3pcqA-2nq2A:
1.9		 3pcqA-2nq2A:
18.89
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.
2put ISOMERASE DOMAIN OF
GLUTAMINE-FRUCTOSE-6
-PHOSPHATE
TRANSAMINASE
(ISOMERIZING)

(Candida
albicans) 		PF01380
(SIS) 		5 PHE A 622
SER A 627
GLY A 576
ALA A 580
GLY A 574
 None
 1.24A 3pcqA-2putA:
undetectable		 3pcqA-2putA:
18.47
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.
2qyf MAD2L1-BINDING
PROTEIN

(Homo sapiens) 		PF06581
(p31comet) 		5 PHE B  60
GLY B 248
ARG B 249
ALA B 173
LEU B 172
 None
 1.26A 3pcqA-2qyfB:
undetectable		 3pcqA-2qyfB:
13.91
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.
2v35 ELASTASE-1

(Sus scrofa) 		PF00089
(Trypsin) 		5 GLY A 140
TRP A 141
ALA A 152
LEU A 151
GLY A 193
 None
None
None
GOL  A1250 (-4.4A)
GOL  A1250 (-3.8A)
 1.24A 3pcqA-2v35A:
undetectable		 3pcqA-2v35A:
16.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		5 GLY A 656
TRP A 635
ALA A 634
LEU A 625
GLY A 627
 None
 1.07A 3pcqA-2v5iA:
undetectable		 3pcqA-2v5iA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x5f ASPARTATE_TYROSINE_P
HENYLALANINE
PYRIDOXAL-5'
PHOSPHATE-DEPENDENT
AMINOTRANSFERASE

(Staphylococcus
aureus) 		PF00155
(Aminotran_1_2) 		5 MET A 281
PHE A 283
ALA A 228
LEU A 260
GLY A 284
 None
 1.24A 3pcqA-2x5fA:
undetectable		 3pcqA-2x5fA:
20.44
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 PHE A 348
ARG A 259
ALA A 416
LEU A 417
GLY A 345
 None
 1.24A 3pcqA-2ykyA:
undetectable		 3pcqA-2ykyA:
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.
2ylz PHENYLACETONE
MONOOXYGENASE

(Thermobifida
fusca) 		PF13738
(Pyr_redox_3) 		5 MET A 148
PHE A 433
SER A 150
GLY A 151
GLY A 436
 None
None
FAD  A 700 (-4.9A)
FAD  A 700 (-3.2A)
None
 1.12A 3pcqA-2ylzA:
undetectable		 3pcqA-2ylzA:
20.92
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.
2yut PUTATIVE SHORT-CHAIN
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A  10
ARG A  31
ALA A  34
LEU A  35
GLY A  29
 NAP  A 500 (-3.2A)
NAP  A 500 (-4.8A)
None
None
NAP  A 500 ( 4.1A)
 1.08A 3pcqA-2yutA:
undetectable		 3pcqA-2yutA:
14.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z81 TOLL-LIKE RECEPTOR
2, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Mus musculus) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 PHE A 120
SER A 116
TRP A 119
ALA A  95
GLY A 121
 None
None
None
None
NAG  A 821 ( 4.9A)
 1.46A 3pcqA-2z81A:
undetectable		 3pcqA-2z81A:
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.
3d6c THERMONUCLEASE

(Staphylococcus
aureus) 		PF00565
(SNase) 		5 MET A  65
PHE A  61
GLY A  20
ALA A 109
LEU A 108
 None
 1.14A 3pcqA-3d6cA:
undetectable		 3pcqA-3d6cA:
9.93
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2)
PF12139
(APS-reductase_C)
PF13187
(Fer4_9) 		5 SER A 242
GLY A 246
ALA B  71
LEU A 392
GLY A 286
 None
 1.17A 3pcqA-3gyxA:
0.2		 3pcqA-3gyxA:
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.
3m3p GLUTAMINE AMIDO
TRANSFERASE

(Methylobacillus
flagellatus) 		PF00117
(GATase) 		5 MET A  36
PHE A  11
ALA A  61
LEU A  90
GLY A  57
 None
 1.41A 3pcqA-3m3pA:
undetectable		 3pcqA-3m3pA:
15.42
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.
3ml6 CHIMERIC COMPLEX
BETWEEN PROTEIN
DISHEVLLED2 HOMOLOG
DVL-2 AND CLATHRIN
ADAPTOR AP-2 COMPLEX
SUBUNIT MU

(Mus musculus;
Rattus
norvegicus) 		PF00610
(DEP)
PF00928
(Adap_comp_sub) 		5 PHE A 505
GLY A 486
ALA A 424
LEU A 508
GLY A 506
 None
 1.26A 3pcqA-3ml6A:
undetectable		 3pcqA-3ml6A:
19.01
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.
3mpg DIHYDROOROTASE

(Bacillus
anthracis) 		PF01979
(Amidohydro_1) 		5 PHE A 327
SER A 394
GLY A 396
ALA A 306
GLY A 326
 None
 1.12A 3pcqA-3mpgA:
undetectable		 3pcqA-3mpgA:
19.74
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.
3qxb PUTATIVE XYLOSE
ISOMERASE

(Rhodospirillum
rubrum) 		PF01261
(AP_endonuc_2) 		5 PHE A 116
GLY A  93
ALA A  84
LEU A  83
GLY A 117
 None
 1.38A 3pcqA-3qxbA:
undetectable		 3pcqA-3qxbA:
18.17
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.
3vb9 UNCHARACTERIZED
PROTEIN VPA0735

(Vibrio
parahaemolyticus) 		PF06742
(DUF1214)
PF06863
(DUF1254) 		5 PHE A 359
SER A 354
GLY A 351
ALA A 132
LEU A 148
 None
None
MG  A 501 ( 4.5A)
MG  A 501 ( 3.8A)
None
 1.15A 3pcqA-3vb9A:
undetectable		 3pcqA-3vb9A:
21.14
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.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 PHE A  16
GLY A 202
ALA A 365
LEU A 361
GLY A 242
 None
None
2JG  A 176 ( 3.8A)
None
None
 1.27A 3pcqA-4na3A:
undetectable		 3pcqA-4na3A:
21.20
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.
4o26 TELOMERASE REVERSE
TRANSCRIPTASE

(Oryzias latipes) 		PF12009
(Telomerase_RBD) 		5 MET A 378
PHE A 382
ARG A 388
LEU A 385
GLY A 383
 None
None
SO4  A 602 (-3.2A)
None
None
 1.48A 3pcqA-4o26A:
undetectable		 3pcqA-4o26A:
17.27
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.
4pmw DIS3-LIKE
EXONUCLEASE 2

(Mus musculus) 		PF00773
(RNB)
PF17216
(Rrp44_CSD1) 		5 PHE A 479
ARG A 481
ALA A 714
LEU A 717
GLY A 480
 None
 1.19A 3pcqA-4pmwA:
undetectable		 3pcqA-4pmwA:
20.79
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.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		5 MET A 495
ARG A 399
ALA A 438
LEU A 440
GLY A 501
 None
 1.29A 3pcqA-4r10A:
undetectable		 3pcqA-4r10A:
22.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		9 MET A 691
PHE A 692
SER A 695
GLY A 696
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730
 CLA  A9013 ( 3.6A)
PQN  A5001 (-3.6A)
PQN  A5001 (-3.5A)
PQN  A5001 ( 4.1A)
None
PQN  A5001 ( 3.4A)
PQN  A5001 (-3.4A)
PQN  A5001 ( 3.7A)
PQN  A5001 ( 4.0A)
 0.33A 3pcqA-4rkuA:
46.3		 3pcqA-4rkuA:
83.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		7 MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.49A 3pcqA-4rkuB:
35.6		 3pcqA-4rkuB:
42.88
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.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		5 GLY A 283
ARG A 334
ALA A 333
LEU A 335
GLY A 336
 None
 1.40A 3pcqA-4txgA:
undetectable		 3pcqA-4txgA:
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 SER A 150
GLY A 149
ARG A 148
LEU A 576
GLY A 577
 None
 1.15A 3pcqA-5eawA:
2.2		 3pcqA-5eawA:
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.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		5 SER A 165
ARG A 188
ALA A 172
LEU A 187
GLY A 191
 None
 1.31A 3pcqA-5ebbA:
undetectable		 3pcqA-5ebbA:
19.12
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.
5euf PROTEASE

(Helicobacter
pylori) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 MET A  71
PHE A 192
SER A  74
GLY A  75
TRP A 187
 None
 1.37A 3pcqA-5eufA:
undetectable		 3pcqA-5eufA:
19.31
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.
5k1s OXIDOREDUCTASE,
ZINC-BINDING
DEHYDROGENASE FAMILY

(Myxococcus
xanthus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A  91
GLY A  93
ARG A  99
ALA A  96
GLY A 101
 ZN  A 401 ( 4.2A)
ZN  A 401 (-4.5A)
None
None
None
 1.19A 3pcqA-5k1sA:
undetectable		 3pcqA-5k1sA:
19.03
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.
5kr6 4-AMINOBUTYRATE
TRANSAMINASE

(Pseudomonas) 		PF00202
(Aminotran_3) 		5 MET A 363
PHE A 359
GLY A 378
LEU A 381
GLY A 356
 None
 1.42A 3pcqA-5kr6A:
undetectable		 3pcqA-5kr6A:
21.87
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.
5l20 CLOSTRIPAIN-RELATED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF03415
(Peptidase_C11) 		5 MET B 209
PHE B 204
SER B 211
ALA B 217
LEU B 218
 None
 1.41A 3pcqA-5l20B:
undetectable		 3pcqA-5l20B:
14.87
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 PHE A 767
SER A 800
GLY A 770
ARG A 819
LEU A 751
 None
 1.48A 3pcqA-5nn8A:
undetectable		 3pcqA-5nn8A:
21.86
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.
5o8o MITOCHONDRIAL IMPORT
RECEPTOR SUBUNIT
TOM40

(Neurospora
crassa) 		PF01459
(Porin_3) 		5 SER A 156
GLY A  42
ARG A 213
ALA A 182
GLY A 190
 None
 1.30A 3pcqA-5o8oA:
undetectable		 3pcqA-5o8oA:
18.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Synechocystis
sp. PCC 6803) 		no annotation 9 MET 1 684
PHE 1 685
SER 1 688
GLY 1 689
ARG 1 690
TRP 1 693
ALA 1 717
LEU 1 718
GLY 1 723
 CLA  1 802 ( 3.2A)
PQN  1 842 (-3.8A)
PQN  1 842 (-3.4A)
PQN  1 842 ( 4.3A)
None
PQN  1 842 ( 3.3A)
PQN  1 842 (-3.2A)
PQN  1 842 ( 3.6A)
PQN  1 842 ( 3.9A)
 0.34A 3pcqA-5oy01:
47.1		 3pcqA-5oy01:
85.00
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.
5oy0 PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Synechocystis
sp. PCC 6803) 		no annotation 7 MET b 659
PHE b 660
SER b 663
ARG b 665
TRP b 668
ALA b 696
LEU b 697
 CLA  b1807 ( 3.2A)
PQN  b1844 ( 4.2A)
PQN  b1844 (-3.7A)
None
PQN  b1844 ( 3.4A)
PQN  b1844 (-3.2A)
PQN  b1844 ( 3.8A)
 0.61A 3pcqA-5oy0b:
34.8		 3pcqA-5oy0b:
7.11
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.
5tqi PYRIDOXAL KINASE
PDXY

(Burkholderia
multivorans) 		PF08543
(Phos_pyr_kin) 		5 SER A  19
GLY A  17
ALA A 225
LEU A 222
GLY A 218
 None
 1.43A 3pcqA-5tqiA:
undetectable		 3pcqA-5tqiA:
16.45
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.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		5 SER A 545
ARG A 551
ALA A 580
LEU A 581
GLY A 586
 AOH  A1003 (-4.3A)
None
AOH  A1003 ( 4.9A)
None
None
 0.96A 3pcqA-5v8kA:
23.6		 3pcqA-5v8kA:
26.02
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.
5vfr PROTEASOME SUBUNIT
BETA TYPE-5

(Homo sapiens) 		no annotation 5 GLY R 183
ARG R  73
TRP R 184
LEU R  41
GLY R 103
 None
 1.27A 3pcqA-5vfrR:
undetectable		 3pcqA-5vfrR:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 8 MET A 681
PHE A 682
GLY A 686
ARG A 687
TRP A 690
ALA A 714
LEU A 715
GLY A 720
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 ( 3.9A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
None
 0.80A 3pcqA-6fosA:
47.3		 3pcqA-6fosA:
81.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 8 MET A 681
PHE A 682
SER A 685
GLY A 686
ARG A 687
TRP A 690
ALA A 714
LEU A 715
 PQN  A2001 ( 3.3A)
PQN  A2001 (-4.3A)
PQN  A2001 (-4.4A)
PQN  A2001 ( 3.9A)
None
PQN  A2001 ( 3.2A)
PQN  A2001 (-3.2A)
PQN  A2001 (-3.7A)
 0.88A 3pcqA-6fosA:
47.3		 3pcqA-6fosA:
81.25
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2

(Cyanidioschyzon
merolae) 		no annotation 7 MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.84A 3pcqA-6fosB:
27.3		 3pcqA-6fosB:
6.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
7mdh PROTEIN (MALATE
DEHYDROGENASE)

(Sorghum bicolor) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 SER A  59
GLY A  56
ALA A  91
LEU A  92
GLY A  84
 None
 1.32A 3pcqA-7mdhA:
undetectable		 3pcqA-7mdhA:
18.31