SIMILAR PATTERNS OF AMINO ACIDS FOR 2QD3_B_CHDB504_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.
1dnp DNA PHOTOLYASE

(Escherichia
coli) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 MET A 339
ILE A 346
ARG A 342
SER A 238
 None
None
None
FAD  A 472 (-3.2A)
 1.46A 2qd3B-1dnpA:
1.7		 2qd3B-1dnpA:
18.32
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.
1htq GLUTAMINE SYNTHETASE

(Mycobacterium
tuberculosis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 MET A 195
ILE A 134
PRO A  78
SER A 202
 None
 1.46A 2qd3B-1htqA:
undetectable		 2qd3B-1htqA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hwp EBULIN

(Sambucus ebulus) 		PF00652
(Ricin_B_lectin) 		4 MET B 107
ILE B  15
PRO B 101
SER B 103
 None
 1.49A 2qd3B-1hwpB:
undetectable		 2qd3B-1hwpB:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j7j HYPOXANTHINE
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF00156
(Pribosyltran) 		4 MET A  36
ILE A  25
ARG A  28
PRO A 120
 None
 1.24A 2qd3B-1j7jA:
0.0		 2qd3B-1j7jA:
20.51
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.
1m68 HYPOTHETICAL PROTEIN
YCDX

(Escherichia
coli) 		PF02811
(PHP) 		4 ILE A  96
PRO A  48
SER A  13
MET A  44
 None
 1.01A 2qd3B-1m68A:
undetectable		 2qd3B-1m68A:
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.
1tht THIOESTERASE

(Vibrio harveyi) 		PF02273
(Acyl_transf_2) 		4 ILE A 297
ARG A 300
PRO A  26
SER A  59
 None
 1.30A 2qd3B-1thtA:
3.5		 2qd3B-1thtA:
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.
1txk GLUCANS BIOSYNTHESIS
PROTEIN G

(Escherichia
coli) 		PF04349
(MdoG) 		4 MET A 488
ILE A 425
ARG A 407
SER A 300
 None
 1.06A 2qd3B-1txkA:
undetectable		 2qd3B-1txkA:
21.01
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.
1yck PEPTIDOGLYCAN
RECOGNITION PROTEIN

(Homo sapiens) 		PF01510
(Amidase_2) 		4 ILE A 124
ARG A 125
PRO A  49
SER A  51
 None
 1.48A 2qd3B-1yckA:
0.5		 2qd3B-1yckA:
16.21
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.
2dkh 3-HYDROXYBENZOATE
HYDROXYLASE

(Comamonas
testosteroni) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		4 ILE A 545
ARG A 498
PRO A 155
SER A  19
 None
 1.09A 2qd3B-2dkhA:
0.0		 2qd3B-2dkhA:
20.13
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.
2fsq ATU0111 PROTEIN

(Agrobacterium
fabrum) 		PF08975
(2H-phosphodiest) 		4 ILE A 184
PRO A  77
SER A  80
MET A 227
 None
 1.46A 2qd3B-2fsqA:
undetectable		 2qd3B-2fsqA:
20.47
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.
2p6p GLYCOSYL TRANSFERASE

(Streptomyces
fradiae) 		PF06722
(DUF1205) 		4 ILE A  62
ARG A  59
PRO A 252
SER A 217
 None
 1.34A 2qd3B-2p6pA:
4.4		 2qd3B-2p6pA:
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.
2pif UPF0317 PROTEIN
PSPTO_5379

(Pseudomonas
syringae group
genomosp. 3) 		PF07286
(DUF1445) 		4 MET A 171
ILE A 221
PRO A 196
SER A 186
 None
 1.41A 2qd3B-2pifA:
undetectable		 2qd3B-2pifA:
20.77
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.
2v7b BENZOATE-COENZYME A
LIGASE

(Paraburkholderia
xenovorans) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 ILE A 255
ARG A 269
PRO A 153
SER A 151
 None
 1.30A 2qd3B-2v7bA:
4.0		 2qd3B-2v7bA:
21.22
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.
2wmm CHROMOSOME PARTITION
PROTEIN MUKB

(Escherichia
coli) 		PF16330
(MukB_hinge) 		4 ILE A 787
ARG A 786
PRO A 699
SER A 702
 None
 1.48A 2qd3B-2wmmA:
undetectable		 2qd3B-2wmmA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wy0 ANGIOTENSINOGEN

(Mus musculus) 		PF00079
(Serpin) 		4 ILE C  39
PRO C 233
SER C 356
MET C 230
 None
 1.21A 2qd3B-2wy0C:
undetectable		 2qd3B-2wy0C:
22.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3aqi FERROCHELATASE

(Homo sapiens) 		PF00762
(Ferrochelatase) 		5 MET A  99
ILE A 111
PRO A 266
SER A 268
MET A 308
 CHD  A   2 (-4.0A)
CHD  A   2 ( 4.7A)
CHD  A   2 ( 4.5A)
CHD  A   2 ( 4.4A)
None
 0.28A 2qd3B-3aqiA:
60.0		 2qd3B-3aqiA:
99.44
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.
3ddn D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00389
(2-Hacid_dh)
PF01842
(ACT)
PF02826
(2-Hacid_dh_C) 		4 ILE A 400
ARG A 366
PRO A 346
SER A 342
 None
 1.03A 2qd3B-3ddnA:
4.7		 2qd3B-3ddnA:
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.
3dtz PUTATIVE CHLORITE
DISMUTASE TA0507

(Thermoplasma
acidophilum) 		PF06778
(Chlor_dismutase) 		4 MET A 143
ILE A 202
PRO A 100
SER A  99
 None
 1.30A 2qd3B-3dtzA:
undetectable		 2qd3B-3dtzA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f9k INTEGRASE

(Human
immunodeficiency
virus 2) 		PF00665
(rve)
PF02022
(Integrase_Zn) 		4 ILE A 165
ARG A 164
PRO A 196
SER A 197
 None
 1.35A 2qd3B-3f9kA:
undetectable		 2qd3B-3f9kA:
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.
3g0i EPOXIDE HYDROLASE

(Aspergillus
niger) 		PF06441
(EHN) 		4 MET A 177
ILE A 188
PRO A   9
SER A  11
 None
 1.29A 2qd3B-3g0iA:
2.9		 2qd3B-3g0iA:
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.
3goa 3-KETOACYL-COA
THIOLASE

(Salmonella
enterica) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ILE A 160
PRO A 284
SER A 288
MET A 307
 None
 1.37A 2qd3B-3goaA:
undetectable		 2qd3B-3goaA:
22.73
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.
3hs0 COBRA VENOM FACTOR
COBRA VENOM FACTOR

(Naja kaouthia;
Naja kaouthia) 		PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF01759
(NTR)
PF07677
(A2M_recep) 		4 MET A 299
ILE C1359
PRO A 200
SER A 201
 None
 1.48A 2qd3B-3hs0A:
undetectable		 2qd3B-3hs0A:
22.64
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.
3ibp CHROMOSOME PARTITION
PROTEIN MUKB

(Escherichia
coli) 		PF16330
(MukB_hinge) 		4 ILE A 787
ARG A 786
PRO A 699
SER A 702
 None
 1.42A 2qd3B-3ibpA:
undetectable		 2qd3B-3ibpA:
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.
3ljc ATP-DEPENDENT
PROTEASE LA

(Escherichia
coli) 		PF02190
(LON_substr_bdg) 		4 MET A  51
ILE A 100
ARG A  99
PRO A  23
 None
 1.15A 2qd3B-3ljcA:
undetectable		 2qd3B-3ljcA:
21.90
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.
3o3m BETA SUBUNIT
2-HYDROXYACYL-COA
DEHYDRATASE

(Clostridioides
difficile) 		PF06050
(HGD-D) 		4 MET B 322
PRO B 327
SER B 292
MET B  98
 None
SF4  B 386 ( 4.5A)
None
None
 1.36A 2qd3B-3o3mB:
1.9		 2qd3B-3o3mB:
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.
3oqc UFM1-SPECIFIC
PROTEASE 2

(Mus musculus) 		PF07910
(Peptidase_C78) 		4 ILE A 316
PRO A 455
SER A 360
MET A 390
 None
 1.33A 2qd3B-3oqcA:
undetectable		 2qd3B-3oqcA:
21.61
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.
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) 		4 MET B 321
ILE B1381
PRO B 222
SER B 223
 None
 1.33A 2qd3B-3prxB:
undetectable		 2qd3B-3prxB:
12.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sw0 COMPLEMENT FACTOR H

(Homo sapiens) 		PF00084
(Sushi) 		4 MET X1090
ARG X1074
PRO X1051
MET X1064
 None
 1.39A 2qd3B-3sw0X:
undetectable		 2qd3B-3sw0X:
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.
3vk0 TRANSCRIPTIONAL
REGULATOR

(Neisseria
meningitidis) 		PF01381
(HTH_3) 		4 MET A  26
ILE A  61
ARG A  19
PRO A  13
 None
 1.36A 2qd3B-3vk0A:
undetectable		 2qd3B-3vk0A:
16.92
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.
3vr1 PEPTIDE CHAIN
RELEASE FACTOR 3

(Desulfovibrio
vulgaris) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF16658
(RF3_C) 		4 ARG A 243
PRO A 135
SER A 107
MET A 137
 None
 1.42A 2qd3B-3vr1A:
4.2		 2qd3B-3vr1A:
19.38
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.
3zgb PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Flaveria
pringlei) 		PF00311
(PEPcase) 		4 MET A 748
ILE A 906
ARG A 907
PRO A 754
 None
 1.36A 2qd3B-3zgbA:
undetectable		 2qd3B-3zgbA:
17.80
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.
3zuy TRANSPORTER

(Neisseria
meningitidis) 		PF01758
(SBF) 		4 MET A 169
ILE A  40
PRO A 109
SER A 139
 None
 1.38A 2qd3B-3zuyA:
undetectable		 2qd3B-3zuyA:
21.54
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.
4a5z MIT
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF16565
(MIT_C) 		4 ILE A  94
ARG A 209
PRO A 217
SER A 222
 None
 1.40A 2qd3B-4a5zA:
undetectable		 2qd3B-4a5zA:
17.37
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.
4bn2 KINESIN-LIKE PROTEIN
KIF15

(Homo sapiens) 		PF00225
(Kinesin) 		4 ILE A 153
PRO A 123
SER A 125
MET A 105
 None
 1.41A 2qd3B-4bn2A:
undetectable		 2qd3B-4bn2A:
22.93
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.
4fiu HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 ILE A 130
PRO A 184
SER A 226
MET A 228
 None
 1.21A 2qd3B-4fiuA:
undetectable		 2qd3B-4fiuA:
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT

(Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		4 ILE A 261
ARG A 265
PRO A 276
SER A 297
 None
 1.11A 2qd3B-4kpuA:
1.8		 2qd3B-4kpuA:
21.54
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 4 MET A 315
ILE A 419
ARG A 353
PRO A 288
 None
 1.27A 2qd3B-4lgnA:
undetectable		 2qd3B-4lgnA:
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.
4mrm GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 MET A 126
ILE A 357
PRO A  60
SER A 101
 None
 1.19A 2qd3B-4mrmA:
3.0		 2qd3B-4mrmA:
22.54
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.
4mrm GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 MET A 126
ILE A 357
SER A 101
MET A  61
 None
 1.34A 2qd3B-4mrmA:
3.0		 2qd3B-4mrmA:
22.54
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.
4n01 PERIPLASMIC BINDING
PROTEIN

(Veillonella
parvula) 		PF01497
(Peripla_BP_2) 		4 ILE A  93
PRO A 152
SER A 154
MET A 169
 None
 1.20A 2qd3B-4n01A:
3.5		 2qd3B-4n01A:
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 ARG A1385
PRO A1354
SER A1292
MET A 740
 None
 1.35A 2qd3B-4o9xA:
undetectable		 2qd3B-4o9xA:
10.21
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.
4oan TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		4 MET A 188
ILE A 114
PRO A 180
SER A 198
 None
None
X2X  A 402 (-4.1A)
GOL  A 403 (-2.6A)
 1.48A 2qd3B-4oanA:
undetectable		 2qd3B-4oanA:
23.76
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.
4pj1 60 KDA HEAT SHOCK
PROTEIN,
MITOCHONDRIAL

(Homo sapiens) 		PF00118
(Cpn60_TCP1) 		4 MET A 193
ILE A 343
ARG A 346
PRO A 279
 None
 1.00A 2qd3B-4pj1A:
2.2		 2qd3B-4pj1A:
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.
4pmw DIS3-LIKE
EXONUCLEASE 2

(Mus musculus) 		PF00773
(RNB)
PF17216
(Rrp44_CSD1) 		4 ILE A 483
ARG A 369
PRO A 354
SER A 356
 None
 1.48A 2qd3B-4pmwA:
undetectable		 2qd3B-4pmwA:
19.38
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.
4qkf ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE ALKB
HOMOLOG 7,
MITOCHONDRIAL

(Homo sapiens) 		PF13532
(2OG-FeII_Oxy_2) 		4 ILE A 192
ARG A 194
PRO A 120
SER A 176
 None
 1.27A 2qd3B-4qkfA:
undetectable		 2qd3B-4qkfA:
22.63
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.
4u63 DNA PHOTOLYASE

(Agrobacterium
fabrum) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 MET A 341
ILE A 348
ARG A 344
SER A 242
 None
None
None
FAD  A1002 (-3.4A)
 1.48A 2qd3B-4u63A:
4.2		 2qd3B-4u63A:
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.
4wk7 A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 4

(Homo sapiens) 		PF01421
(Reprolysin) 		4 MET A 369
ILE A 258
ARG A 259
SER A 374
 None
 1.46A 2qd3B-4wk7A:
3.3		 2qd3B-4wk7A:
17.36
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.
4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS

(Bacillus
subtilis) 		PF00067
(p450) 		4 ILE A  62
ARG A  64
SER A 319
MET A 290
 ILE  A  62 ( 0.6A)
ARG  A  64 (-0.6A)
SER  A 319 ( 0.0A)
MET  A 290 ( 0.0A)
 1.12A 2qd3B-4yzrA:
undetectable		 2qd3B-4yzrA:
23.29
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		4 MET A 617
ILE A 572
PRO A 661
SER A 667
 None
None
None
ACO  A 901 (-3.8A)
 1.30A 2qd3B-4zm6A:
4.7		 2qd3B-4zm6A:
18.01
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.
5bov PUTATIVE EPOXIDE
HYDROLASE PROTEIN

(Klebsiella
pneumoniae) 		PF00561
(Abhydrolase_1) 		4 ILE A 152
ARG A 148
PRO A 294
SER A 298
 None
 1.27A 2qd3B-5bovA:
3.1		 2qd3B-5bovA:
20.05
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.
5ck0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ILE A 416
ARG A 413
PRO A 356
SER A 372
 None
 1.24A 2qd3B-5ck0A:
undetectable		 2qd3B-5ck0A:
19.55
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.
5eaw DNA REPLICATION
ATP-DEPENDENT
HELICASE/NUCLEASE
DNA2

(Mus musculus) 		PF08696
(Dna2)
PF13086
(AAA_11)
PF13087
(AAA_12) 		4 MET A 197
ILE A 162
PRO A 750
SER A 753
 None
 1.32A 2qd3B-5eawA:
undetectable		 2qd3B-5eawA:
16.38
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 4 MET A 346
ILE A 451
ARG A 384
PRO A 320
 None
 1.38A 2qd3B-5fkrA:
undetectable		 2qd3B-5fkrA:
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.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		4 ILE A 471
ARG A 469
PRO A 375
SER A 314
 HEM  A 580 (-4.4A)
None
HEM  A 580 (-4.3A)
None
 1.16A 2qd3B-5fsaA:
undetectable		 2qd3B-5fsaA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fwj HISTONE DEMETHYLASE
JARID1C

(Homo sapiens) 		PF02373
(JmjC)
PF02375
(JmjN)
PF02928
(zf-C5HC2) 		4 MET A 479
ILE A  31
PRO A 500
SER A 451
 None
 1.37A 2qd3B-5fwjA:
undetectable		 2qd3B-5fwjA:
23.41
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.
5g10 HDAH

(Pseudomonas
aeruginosa) 		PF00850
(Hist_deacetyl) 		4 ILE A 344
ARG A 341
SER A 266
MET A 289
 None
 1.38A 2qd3B-5g10A:
undetectable		 2qd3B-5g10A:
22.86
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.
5gan PRE-MRNA-PROCESSING
FACTOR 31

(Saccharomyces
cerevisiae) 		PF01798
(Nop)
PF09785
(Prp31_C) 		4 ILE F 214
PRO F 134
SER F 138
MET F 112
 None
 1.14A 2qd3B-5ganF:
undetectable		 2qd3B-5ganF:
21.39
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.
5i5l BACTERIOPHYTOCHROME
PROTEIN

(Agrobacterium
fabrum) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 ARG A 244
PRO A 215
SER A 286
MET A 263
 BLA  A 601 (-3.0A)
None
None
None
 1.02A 2qd3B-5i5lA:
undetectable		 2qd3B-5i5lA:
22.40
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.
5i8o HMM5 ANTIBODY HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE H 198
ARG H 212
PRO H 122
SER H 206
 None
 1.35A 2qd3B-5i8oH:
undetectable		 2qd3B-5i8oH:
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.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		4 ILE A 498
PRO A 507
SER A 391
MET A 368
 None
 1.47A 2qd3B-5l9wA:
undetectable		 2qd3B-5l9wA:
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.
5nfu SERINE/THREONINE-PRO
TEIN KINASE PLK1

(Homo sapiens) 		no annotation 4 ILE A 532
ARG A 579
PRO A 389
SER A 387
 None
 1.13A 2qd3B-5nfuA:
undetectable		 2qd3B-5nfuA:
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.
5opj RHAMNOGALACTURONAN
LYASE

(Bacteroides
thetaiotaomicron) 		no annotation 4 ILE A 110
ARG A 113
PRO A 410
SER A 408
 None
 1.42A 2qd3B-5opjA:
undetectable		 2qd3B-5opjA:
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		4 MET A 318
ILE A 301
PRO A 167
SER A 168
 None
 1.50A 2qd3B-5vj1A:
undetectable		 2qd3B-5vj1A:
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 4 MET A 635
ILE A 189
ARG A 610
MET A 602
 None
 1.32A 2qd3B-5vncA:
2.7		 2qd3B-5vncA:
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.
5vqd BETA-GLUCOSIDE
PHOSPHORYLASE BGLX

(unidentified) 		no annotation 4 ILE A 256
ARG A 250
PRO A 196
SER A 240
 None
 1.16A 2qd3B-5vqdA:
2.6		 2qd3B-5vqdA:
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.
5wwp ORF1AB

(Middle East
respiratory
syndrome-related
coronavirus) 		no annotation 4 ILE B 512
ARG B 567
PRO B 445
SER B 468
 None
SO4  B 604 ( 4.9A)
None
None
 1.24A 2qd3B-5wwpB:
2.3		 2qd3B-5wwpB:
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.
5y3r DNA-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08163
(NUC194) 		4 MET C1724
ILE C1655
PRO C 433
SER C1813
 None
 1.23A 2qd3B-5y3rC:
undetectable		 2qd3B-5y3rC:
6.40
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 4 ILE A 964
PRO A1074
SER A1085
MET A1046
 None
 1.35A 2qd3B-6cipA:
undetectable		 2qd3B-6cipA:
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.
6coy CHLORIDE CHANNEL
PROTEIN 1

(Homo sapiens) 		no annotation 4 ILE A 424
ARG A 421
PRO A 234
SER A 189
 None
None
None
CL  A1002 (-2.5A)
 1.32A 2qd3B-6coyA:
undetectable		 2qd3B-6coyA:
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.
6f0k POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 4 MET C 357
ILE C 398
ARG C 395
PRO C 365
 None
 1.39A 2qd3B-6f0kC:
undetectable		 2qd3B-6f0kC:
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.
6f5o POLYMERASE ACIDIC
PROTEIN
RNA-DIRECTED RNA
POLYMERASE CATALYTIC
SUBUNIT

(Influenza B
virus;
Influenza B
virus) 		no annotation
no annotation 		4 ILE B  18
ARG A 659
PRO B 509
SER B 510
 None
 1.27A 2qd3B-6f5oB:
undetectable		 2qd3B-6f5oB:
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.
6h7x -

(-) 		no annotation 4 MET A 326
ARG A 353
PRO A 322
SER A 126
 None
 1.29A 2qd3B-6h7xA:
undetectable		 2qd3B-6h7xA:
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.
6h7x -

(-) 		no annotation 4 MET A 326
ILE A 346
PRO A 322
SER A 126
 None
 1.39A 2qd3B-6h7xA:
undetectable		 2qd3B-6h7xA:
undetectable