SIMILAR PATTERNS OF AMINO ACIDS FOR 3GLQ_A_RABA602_2

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.
1ddk IMP-1 METALLO
BETA-LACTAMASE

(Pseudomonas
aeruginosa) 		PF00753
(Lactamase_B) 		4 GLN A 212
THR A 209
THR A 140
HIS A  77
 None
None
None
ZN  A 500 (-3.4A)
 1.15A 3glqA-1ddkA:
3.2		 3glqA-1ddkA:
20.45
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.
1gy9 ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Escherichia
coli) 		PF02668
(TauD) 		4 GLN A  43
THR A 129
THR A 103
HIS A 153
 None
 1.49A 3glqA-1gy9A:
undetectable		 3glqA-1gy9A:
19.52
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.
1hux ACTIVATOR OF
(R)-2-HYDROXYGLUTARY
L-COA DEHYDRATASE

(Acidaminococcus
fermentans) 		PF01869
(BcrAD_BadFG) 		4 GLN A 106
THR A  13
THR A 215
HIS A  86
 None
ADP  A 506 (-3.9A)
None
None
 1.50A 3glqA-1huxA:
undetectable		 3glqA-1huxA:
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.
1k8i MHC CLASS II H2-M
ALPHA CHAIN
MHC CLASS II H2-M
BETA 2 CHAIN

(Mus musculus) 		PF00969
(MHC_II_beta)
PF00993
(MHC_II_alpha)
PF07654
(C1-set) 		4 GLN A 156
THR A 154
GLU B   7
THR B   9
 None
 1.37A 3glqA-1k8iA:
undetectable		 3glqA-1k8iA:
17.30
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.
1led WEST-CENTRAL AFRICAN
LEGUME LECTIN IV

(Griffonia
simplicifolia) 		PF00139
(Lectin_legB) 		4 GLN A  36
THR A  38
GLU A 225
THR A  87
 None
 1.41A 3glqA-1ledA:
undetectable		 3glqA-1ledA:
22.57
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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		4 GLN A  80
THR A  79
GLU A  28
THR A  27
 None
 1.23A 3glqA-1ms8A:
undetectable		 3glqA-1ms8A:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rhi HUMAN RHINOVIRUS 3
COAT PROTEIN

(Rhinovirus B) 		PF00073
(Rhv) 		4 GLN 3 226
THR 3 225
GLU 3  99
THR 3  95
 None
 1.11A 3glqA-1rhi3:
undetectable		 3glqA-1rhi3:
18.16
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		4 GLN A 840
GLU A 851
THR A 893
HIS A 821
 None
None
None
MG  A2123 (-3.1A)
 1.16A 3glqA-1sojA:
undetectable		 3glqA-1sojA:
20.27
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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		4 GLN A 113
THR A 120
GLU A 125
THR A 100
 None
 1.45A 3glqA-1tf1A:
undetectable		 3glqA-1tf1A:
19.47
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.
1tf1 NEGATIVE REGULATOR
OF ALLANTOIN AND
GLYOXYLATE
UTILIZATION OPERONS

(Escherichia
coli) 		PF01614
(IclR) 		4 THR A 120
GLU A 125
THR A 100
HIS A  67
 None
 1.15A 3glqA-1tf1A:
undetectable		 3glqA-1tf1A:
19.47
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.
1tr7 FIMH PROTEIN

(Escherichia
coli) 		no annotation 4 GLN B 133
THR B 134
GLU B  89
THR B  90
 DEG  B 502 (-3.2A)
None
None
None
 1.46A 3glqA-1tr7B:
undetectable		 3glqA-1tr7B:
15.79
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.
2g29 NITRATE TRANSPORT
PROTEIN NRTA

(Synechocystis
sp.) 		PF13379
(NMT1_2) 		4 GLN A 246
THR A 247
THR A 190
HIS A 196
 None
None
NO3  A 700 (-3.9A)
NO3  A 700 (-3.6A)
 1.49A 3glqA-2g29A:
undetectable		 3glqA-2g29A:
22.99
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.
2j3z C2 TOXIN COMPONENT I

(Clostridium
botulinum) 		PF03496
(ADPrib_exo_Tox) 		4 GLN A 293
THR A 294
GLU A 140
THR A 142
 None
 1.42A 3glqA-2j3zA:
undetectable		 3glqA-2j3zA:
21.81
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 GLN A 333
THR A 107
THR A 383
HIS A 414
 GLN  A 333 ( 0.6A)
THR  A 107 ( 0.8A)
THR  A 383 ( 0.8A)
HIS  A 414 ( 1.0A)
 1.06A 3glqA-2nvvA:
undetectable		 3glqA-2nvvA:
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.
2o26 MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Mus musculus) 		no annotation 4 GLN X 275
THR X 277
THR X 306
HIS X 222
 None
 1.24A 3glqA-2o26X:
undetectable		 3glqA-2o26X:
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.
2p4z METAL-DEPENDENT
HYDROLASES OF THE
BETA-LACTAMASE
SUPERFAMILY II

(Caldanaerobacter
subterraneus) 		PF00753
(Lactamase_B) 		4 THR A 161
GLU A 181
THR A  75
HIS A  81
 None
None
None
FE  A1002 (-3.4A)
 1.29A 3glqA-2p4zA:
3.1		 3glqA-2p4zA:
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.
2pmt GLUTATHIONE
TRANSFERASE

(Proteus
mirabilis) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 GLN A 163
THR A 160
GLU A 198
THR A 197
 None
 1.30A 3glqA-2pmtA:
undetectable		 3glqA-2pmtA:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xtp GTPASE IMAP FAMILY
MEMBER 2

(Homo sapiens) 		PF04548
(AIG1) 		4 GLN A 121
THR A 119
THR A 146
HIS A 147
 None
 1.43A 3glqA-2xtpA:
undetectable		 3glqA-2xtpA:
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 4 THR A  91
GLU A  68
THR A  67
HIS A 580
 None
 1.34A 3glqA-2zuxA:
undetectable		 3glqA-2zuxA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bql ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		4 GLN A1270
THR A1269
GLU A1307
HIS A1315
 None
 1.39A 3glqA-3bqlA:
undetectable		 3glqA-3bqlA:
19.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  73
THR A  74
GLU A 218
THR A 219
HIS A 363
 ADN  A 500 (-3.6A)
ADN  A 500 (-4.5A)
ADN  A 500 (-2.6A)
NAD  A 550 ( 2.8A)
ADN  A 500 ( 3.7A)
 0.67A 3glqA-3ce6A:
59.0		 3glqA-3ce6A:
57.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fge PUTATIVE FLAVIN
REDUCTASE WITH SPLIT
BARREL DOMAIN

(Shewanella
frigidimarina) 		PF01613
(Flavin_Reduct) 		4 GLN A  35
THR A  41
GLU A 108
THR A  98
 None
 1.50A 3glqA-3fgeA:
undetectable		 3glqA-3fgeA:
17.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3g1u ADENOSYLHOMOCYSTEINA
SE

(Leishmania
major) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  56
THR A  57
GLU A 155
THR A 156
HIS A 300
 ADN  A 438 (-3.8A)
ADN  A 438 (-4.6A)
ADN  A 438 (-3.8A)
NAD  A 439 ( 3.0A)
ADN  A 438 ( 4.0A)
 0.46A 3glqA-3g1uA:
55.6		 3glqA-3g1uA:
55.67
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.
3gzd SELENOCYSTEINE LYASE

(Homo sapiens) 		PF00266
(Aminotran_5) 		4 GLN C 174
THR C 175
GLU C 144
HIS C 231
 None
 1.45A 3glqA-3gzdC:
2.4		 3glqA-3gzdC:
22.85
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.
3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN 2
MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I

(Gallus gallus) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 GLN B 376
THR B 374
THR B 367
HIS A  85
 None
 1.50A 3glqA-3h1lB:
undetectable		 3glqA-3h1lB:
24.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h9u ADENOSYLHOMOCYSTEINA
SE

(Trypanosoma
brucei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  56
THR A  57
GLU A 155
THR A 156
HIS A 300
 ADN  A 439 (-3.6A)
ADN  A 439 (-4.7A)
None
NAD  A 438 (-3.8A)
None
 0.56A 3glqA-3h9uA:
58.4		 3glqA-3h9uA:
57.97
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.
3i0p MALATE DEHYDROGENASE

(Entamoeba
histolytica) 		PF02615
(Ldh_2) 		4 GLN A  53
THR A  49
THR A  38
HIS A  94
 None
 1.43A 3glqA-3i0pA:
undetectable		 3glqA-3i0pA:
23.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3n58 ADENOSYLHOMOCYSTEINA
SE

(Brucella
abortus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  59
THR A  60
GLU A 192
THR A 193
HIS A 337
 K  A   2 ( 3.3A)
ADN  A 500 (-4.6A)
ADN  A 500 (-3.6A)
NAD  A 550 ( 3.0A)
ADN  A 500 ( 3.6A)
 0.49A 3glqA-3n58A:
62.4		 3glqA-3n58A:
67.51
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.
3n5l BINDING PROTEIN
COMPONENT OF ABC
PHOSPHONATE
TRANSPORTER

(Pseudomonas
aeruginosa) 		PF12974
(Phosphonate-bd) 		4 GLN A 106
THR A 107
GLU A 201
THR A 200
 None
None
UNL  A 401 ( 3.2A)
None
 1.28A 3glqA-3n5lA:
undetectable		 3glqA-3n5lA:
23.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  66
THR A  67
GLU A 205
THR A 206
HIS A 350
 ADE  A 506 (-3.8A)
ADE  A 506 (-4.5A)
None
NAD  A 501 (-2.8A)
None
 0.50A 3glqA-3oneA:
57.9		 3glqA-3oneA:
57.71
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.
3qqy RIBOSOMAL PROTEIN
3/HOMING
ENDONUCLEASE-LIKE
PROTEIN FUSION

(Ophiostoma
novo-ulmi) 		PF00961
(LAGLIDADG_1) 		4 GLN A 102
THR A 101
GLU A 178
THR A 203
 None
None
MG  A 304 (-4.0A)
None
 1.40A 3glqA-3qqyA:
undetectable		 3glqA-3qqyA:
21.77
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.
3qr5 CARDIAC CA2+ RELEASE
CHANNEL

(Mus musculus) 		PF08709
(Ins145_P3_rec) 		4 GLN A  33
THR A  27
THR A 210
HIS A 193
 None
 1.07A 3glqA-3qr5A:
undetectable		 3glqA-3qr5A:
18.51
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.
3qy9 DIHYDRODIPICOLINATE
REDUCTASE

(Staphylococcus
aureus) 		PF01113
(DapB_N)
PF05173
(DapB_C) 		4 THR A 203
GLU A 194
THR A 132
HIS A 182
 None
 1.41A 3glqA-3qy9A:
7.2		 3glqA-3qy9A:
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.
3sil SIALIDASE

(Salmonella
enterica) 		PF13859
(BNR_3) 		4 GLN A 194
THR A 207
THR A 284
HIS A 297
 GOL  A 402 (-3.2A)
None
None
None
 1.45A 3glqA-3silA:
undetectable		 3glqA-3silA:
21.77
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.
3u37 ACETYL-XYLAN
ESTERASE EST2A

(Butyrivibrio
proteoclasticus) 		PF13472
(Lipase_GDSL_2) 		4 GLN A  28
GLU A  53
THR A  54
HIS A  82
 None
 1.37A 3glqA-3u37A:
5.0		 3glqA-3u37A:
24.36
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.
3vbe BETA-CYANOALNINE
SYNTHASE

(Glycine max) 		PF00291
(PALP) 		4 GLN A 331
THR A  74
THR A 342
HIS A 344
 None
 1.39A 3glqA-3vbeA:
5.2		 3glqA-3vbeA:
23.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zdr ALCOHOL
DEHYDROGENASE DOMAIN
OF THE BIFUNCTIONAL
ACETALDEHYDE
DEHYDROGENASE

(Parageobacillus
thermoglucosidasius) 		PF00465
(Fe-ADH) 		4 GLN A 844
THR A 846
GLU A 668
THR A 664
 CSO  A 845 ( 3.4A)
CSO  A 845 ( 4.4A)
None
None
 1.33A 3glqA-3zdrA:
3.1		 3glqA-3zdrA:
24.46
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.
4c4v OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		4 GLN A 446
THR A 423
GLU A 396
THR A 397
 None
 1.41A 3glqA-4c4vA:
undetectable		 3glqA-4c4vA:
21.76
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.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		4 THR A  61
GLU A  37
THR A  36
HIS A 550
 None
 1.34A 3glqA-4cagA:
undetectable		 3glqA-4cagA:
22.99
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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		4 GLN A 156
THR A   6
THR A 348
HIS A 389
 None
 1.15A 3glqA-4cnkA:
undetectable		 3glqA-4cnkA:
22.29
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.
4k0e HEAVY METAL CATION
TRICOMPONENT EFFLUX
PUMP ZNEA(CZCA-LIKE)

(Cupriavidus
metallidurans) 		PF00873
(ACR_tran) 		4 GLN A 681
THR A 679
GLU A 796
THR A 797
 None
 1.41A 3glqA-4k0eA:
undetectable		 3glqA-4k0eA:
20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lvc S-ADENOSYL-L-HOMOCYS
TEINE HYDROLASE
(SAHASE)

(Bradyrhizobium
elkanii) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  62
THR A  63
GLU A 197
THR A 198
HIS A 342
 NH4  A 502 ( 3.1A)
ADN  A 501 (-4.5A)
ADN  A 501 (-3.6A)
NAD  A 503 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.43A 3glqA-4lvcA:
61.3		 3glqA-4lvcA:
65.45
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.
4mag SIALIC ACID BINDING
PROTEIN

(Vibrio cholerae) 		PF03480
(DctP) 		4 GLN A 245
GLU A 251
THR A 124
HIS A 206
 None
 1.28A 3glqA-4magA:
undetectable		 3glqA-4magA:
22.77
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.
4n6k TRAP DICARBOXYLATE
TRANSPORTER-DCTP
SUBUNIT

(Desulfovibrio
salexigens) 		PF03480
(DctP) 		4 GLN A 159
THR A 229
THR A 235
HIS A 237
 None
 1.44A 3glqA-4n6kA:
undetectable		 3glqA-4n6kA:
21.15
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.
4ncn EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2) 		4 GLN A 549
THR A 557
GLU A 804
THR A 563
 GTP  A1001 (-3.8A)
MG  A1002 ( 3.0A)
None
None
 1.37A 3glqA-4ncnA:
4.1		 3glqA-4ncnA:
21.59
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		4 GLN A 111
THR A 110
THR A  81
HIS A 120
 None
None
MRD  A 301 ( 4.2A)
MRD  A 301 ( 4.8A)
 1.27A 3glqA-4nq1A:
undetectable		 3glqA-4nq1A:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p1t ERYTHROCYTE MEMBRANE
PROTEIN 1

(Plasmodium
falciparum) 		PF03011
(PFEMP)
PF05424
(Duffy_binding) 		4 GLN A1270
THR A1269
GLU A1307
HIS A1315
 None
 1.37A 3glqA-4p1tA:
undetectable		 3glqA-4p1tA:
20.39
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.
4rh7 GREEN FLUORESCENT
PROTEIN/CYTOPLASMIC
DYNEIN 2 HEAVY CHAIN
1

(Homo sapiens;
synthetic
construct) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 GLN A2380
THR A2007
GLU A2095
THR A2096
 None
None
MG  A4404 ( 2.9A)
None
 1.41A 3glqA-4rh7A:
undetectable		 3glqA-4rh7A:
8.85
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.
4ubq BETA-LACTAMASE

(Acinetobacter
baumannii) 		no annotation 4 GLN A 213
THR A 210
THR A 141
HIS A  78
 None
None
None
ZN  A 301 (-3.4A)
 1.19A 3glqA-4ubqA:
3.3		 3glqA-4ubqA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uzv HEMOGLOBIN

(Thermobifida
fusca) 		PF01152
(Bac_globin) 		4 GLN A  85
THR A  92
GLU A  43
THR A  47
 None
 1.44A 3glqA-4uzvA:
undetectable		 3glqA-4uzvA:
15.93
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.
5b3r IMP-18

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 230
THR A 227
THR A 158
HIS A  95
 None
None
None
ZN  A2001 ( 3.4A)
 1.20A 3glqA-5b3rA:
2.9		 3glqA-5b3rA:
19.72
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.
5ffn ENZYME SUBTILASE
SUBTY FROM BACILLUS
SP. TY145

(Bacillus sp.
(in: Bacteria)) 		PF00082
(Peptidase_S8) 		4 GLN A   6
THR A   5
THR A  79
HIS A 256
 None
 1.37A 3glqA-5ffnA:
undetectable		 3glqA-5ffnA:
23.51
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.
5jjq AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Streptomyces
sp. ML694-90F3) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 GLN A 401
THR A 402
THR A 406
HIS A 367
 None
 1.39A 3glqA-5jjqA:
2.7		 3glqA-5jjqA:
23.51
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.
5jr4 TYPE 1 FIMBIRAL
ADHESIN FIMH

(Escherichia
coli) 		PF00419
(Fimbrial)
PF09160
(FimH_man-bind) 		4 GLN A 133
THR A 134
GLU A  89
THR A  90
 GOL  A 301 (-4.0A)
None
None
None
 1.36A 3glqA-5jr4A:
undetectable		 3glqA-5jr4A:
22.53
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.
5jta NEUTRAL TREHALASE

(Saccharomyces
cerevisiae) 		no annotation 4 GLN A 357
GLU A 424
THR A 425
HIS A 429
 None
 1.41A 3glqA-5jtaA:
undetectable		 3glqA-5jtaA:
20.57
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.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 THR A  89
GLU A 339
THR A 340
HIS A 415
 None
 1.39A 3glqA-5ngkA:
undetectable		 3glqA-5ngkA:
23.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w3l VIRAL PROTEIN 3

(Rhinovirus B) 		PF00073
(Rhv) 		4 GLN B 226
THR B 225
GLU B  99
THR B  95
 None
 0.96A 3glqA-5w3lB:
undetectable		 3glqA-5w3lB:
18.03
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 4 GLN A 426
THR A 425
GLU A 456
THR A 467
 None
 1.48A 3glqA-5yp3A:
4.5		 3glqA-5yp3A:
10.53
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.
5ywz SUN
DOMAIN-CONTAINING
PROTEIN 1

(Mus musculus) 		no annotation 4 GLN A 789
GLU A 823
THR A 821
HIS A 908
 None
 1.15A 3glqA-5ywzA:
undetectable		 3glqA-5ywzA:
10.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6aph ADENOSYLHOMOCYSTEINA
SE

(Elizabethkingia
anophelis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLN A  62
THR A  63
GLU A 161
THR A 162
HIS A 306
 ADN  A 501 (-3.8A)
ADN  A 501 (-4.5A)
ADN  A 501 (-2.5A)
NAD  A 500 ( 2.9A)
ADN  A 501 ( 3.7A)
 0.66A 3glqA-6aphA:
58.9		 3glqA-6aphA:
58.13
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.
6cc0 LUXR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pseudomonas
aeruginosa) 		no annotation 4 GLN A 157
THR A 153
THR A  86
HIS A  80
 None
 1.36A 3glqA-6cc0A:
undetectable		 3glqA-6cc0A:
11.80
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.
6d4j PROTEIN PATCHED
HOMOLOG 1

(Homo sapiens) 		no annotation 4 THR A1133
GLU A1095
THR A 551
HIS A1099
 None
 1.20A 3glqA-6d4jA:
undetectable		 3glqA-6d4jA:
10.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f3m -

(-) 		no annotation 5 GLN B  65
THR B  66
GLU B 164
THR B 165
HIS B 323
 K  B 504 ( 3.0A)
ADN  B 502 (-4.6A)
ADN  B 502 (-3.6A)
NAD  B 501 ( 2.8A)
ZN  B 505 (-3.2A)
 0.43A 3glqA-6f3mB:
53.9		 3glqA-6f3mB:
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.
6gbn -

(-) 		no annotation 5 GLN A  60
THR A  61
GLU A 159
THR A 160
HIS A 304
 NA  A 503 ( 3.2A)
ADN  A 501 (-4.6A)
ADN  A 501 (-3.9A)
NAD  A 502 ( 2.8A)
ADN  A 501 ( 3.6A)
 0.40A 3glqA-6gbnA:
58.3		 3glqA-6gbnA:
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.
6gpl GDP-MANNOSE 4,6
DEHYDRATASE

(Homo sapiens) 		no annotation 4 GLN B 341
THR B 337
GLU B 169
THR B 170
 None
 1.48A 3glqA-6gplB:
6.2		 3glqA-6gplB:
undetectable