SIMILAR PATTERNS OF AMINO ACIDS FOR 3A2Q_A_ACAA602_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 SER A 263
ALA A 279
ALA A 280
ALA A 282
 None
 0.85A 3a2qA-1b3nA:
1.0		 3a2qA-1b3nA:
25.49
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.
1d7a PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE

(Escherichia
coli) 		PF00731
(AIRC) 		4 ALA A 127
ALA A 126
ALA A 130
GLN A  24
 None
 0.76A 3a2qA-1d7aA:
0.0		 3a2qA-1d7aA:
16.57
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.
1edz 5,10-METHYLENETETRAH
YDROFOLATE
DEHYDROGENASE

(Saccharomyces
cerevisiae) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		4 ALA A 195
ALA A 194
ALA A 198
GLN A 213
 None
 0.77A 3a2qA-1edzA:
0.0		 3a2qA-1edzA:
21.36
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.
1eks MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
C

(Escherichia
coli) 		PF01967
(MoaC) 		4 ASN A  87
ALA A 119
ALA A 118
ALA A 122
 None
 0.76A 3a2qA-1eksA:
0.0		 3a2qA-1eksA:
17.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gn4 SUPEROXIDE DISMUTASE

(Mycobacterium
tuberculosis) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 ALA A  97
ALA A  98
ALA A 100
GLN A 191
 None
 0.74A 3a2qA-1gn4A:
0.0		 3a2qA-1gn4A:
19.92
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.
1gnx BETA-GLUCOSIDASE

(Streptomyces
sp.) 		PF00232
(Glyco_hydro_1) 		4 ALA A 160
ALA A 159
ALA A 163
GLN A 218
 None
None
None
SUC  A 600 (-3.6A)
 0.87A 3a2qA-1gnxA:
0.0		 3a2qA-1gnxA:
24.51
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.
1gy9 ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Escherichia
coli) 		PF02668
(TauD) 		4 ALA A 134
ALA A 133
ALA A 137
GLN A 235
 None
 0.76A 3a2qA-1gy9A:
0.0		 3a2qA-1gy9A:
19.42
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.
1ixp PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Escherichia
coli) 		PF03740
(PdxJ) 		4 ASN A   9
ALA A  31
ALA A  30
ALA A  34
 PO4  A1001 ( 4.1A)
None
None
None
 0.64A 3a2qA-1ixpA:
0.0		 3a2qA-1ixpA:
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.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		4 SER A 194
ALA A 364
ALA A 363
ALA A 367
 None
 0.60A 3a2qA-1jkmA:
0.1		 3a2qA-1jkmA:
23.60
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.
1oa1 HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
vulgaris) 		PF03063
(Prismane) 		4 ASN A 460
ALA A 377
ALA A 456
GLN A 458
 None
 0.88A 3a2qA-1oa1A:
undetectable		 3a2qA-1oa1A:
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.
1pie GALACTOKINASE

(Lactococcus
lactis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C)
PF10509
(GalKase_gal_bdg) 		4 ALA A 343
ALA A 356
ALA A 354
GLN A 337
 None
 0.82A 3a2qA-1pieA:
undetectable		 3a2qA-1pieA:
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.
1sr8 COBALAMIN
BIOSYNTHESIS PROTEIN
(CBID)

(Archaeoglobus
fulgidus) 		PF01888
(CbiD) 		4 ALA A  51
ALA A  52
ALA A  54
GLN A 138
 None
 0.83A 3a2qA-1sr8A:
undetectable		 3a2qA-1sr8A:
20.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1upx HYDROXYLAMINE
REDUCTASE

(Desulfovibrio
desulfuricans) 		PF03063
(Prismane) 		4 ASN A 453
ALA A 370
ALA A 449
GLN A 451
 None
 0.86A 3a2qA-1upxA:
undetectable		 3a2qA-1upxA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1urj MAJOR DNA-BINDING
PROTEIN

(Human
alphaherpesvirus
1) 		PF00747
(Viral_DNA_bp) 		4 ALA A 265
ALA A 264
ALA A 268
CYH A 170
 None
 0.89A 3a2qA-1urjA:
undetectable		 3a2qA-1urjA:
18.55
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		4 ASN A 211
ALA A 438
ALA A 442
GLN A 412
 None
 0.86A 3a2qA-1vrqA:
undetectable		 3a2qA-1vrqA:
21.42
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.
1woi AGMATINASE

(Deinococcus
radiodurans) 		PF00491
(Arginase) 		4 ALA A  32
ALA A  81
ALA A  83
GLN A  28
 None
 0.87A 3a2qA-1woiA:
undetectable		 3a2qA-1woiA:
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.
1wxj TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00290
(Trp_syntA) 		4 ALA A 218
ALA A 217
ALA A 221
GLN A 251
 None
 0.71A 3a2qA-1wxjA:
undetectable		 3a2qA-1wxjA:
23.37
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.
2aa4 PUTATIVE
N-ACETYLMANNOSAMINE
KINASE

(Escherichia
coli) 		PF00480
(ROK) 		4 ALA A   5
ALA A  60
ALA A  62
GLN A 287
 None
 0.86A 3a2qA-2aa4A:
undetectable		 3a2qA-2aa4A:
22.97
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.
2dkj SERINE
HYDROXYMETHYLTRANSFE
RASE

(Thermus
thermophilus) 		PF00464
(SHMT) 		4 ASN A  88
ALA A  74
ALA A  78
GLN A  90
 None
 0.69A 3a2qA-2dkjA:
undetectable		 3a2qA-2dkjA:
26.05
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.
2fef HYPOTHETICAL PROTEIN
PA2201

(Pseudomonas
aeruginosa) 		PF08929
(DUF1911) 		4 ASN A  10
ALA A  80
ALA A  79
ALA A  83
 None
 0.81A 3a2qA-2fefA:
undetectable		 3a2qA-2fefA:
22.18
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT

(Stenotrophomonas
maltophilia) 		PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4) 		4 ASN A 212
ALA A 439
ALA A 443
GLN A 413
 None
 0.85A 3a2qA-2gahA:
undetectable		 3a2qA-2gahA:
21.92
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.
2gqw FERREDOXIN REDUCTASE

(Pseudomonas sp.
KKS102) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		4 ASN A 293
ALA A 270
ALA A 108
GLN A 277
 None
 0.87A 3a2qA-2gqwA:
undetectable		 3a2qA-2gqwA:
27.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Homo sapiens) 		PF00106
(adh_short) 		4 SER A  43
ALA A  90
ALA A  65
GLN A  72
 NAP  A 901 (-2.8A)
None
NAP  A 901 (-3.3A)
None
 0.89A 3a2qA-2irwA:
undetectable		 3a2qA-2irwA:
20.33
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.
2jjx URIDYLATE KINASE

(Bacillus
anthracis) 		PF00696
(AA_kinase) 		4 ASN A 134
ALA A 200
ALA A 201
GLN A 147
 None
 0.85A 3a2qA-2jjxA:
undetectable		 3a2qA-2jjxA:
18.55
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.
2nwh CARBOHYDRATE KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		4 ASN A  42
ALA A  73
ALA A  72
ALA A  76
 None
 0.78A 3a2qA-2nwhA:
undetectable		 3a2qA-2nwhA:
22.38
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.
2nzu CATABOLITE CONTROL
PROTEIN

(Bacillus
megaterium) 		PF13377
(Peripla_BP_3) 		4 ALA G 165
ALA G 164
ALA G 168
GLN G 292
 None
 0.81A 3a2qA-2nzuG:
undetectable		 3a2qA-2nzuG:
20.28
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.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ALA A 158
ALA A 157
ALA A 161
GLN A 136
 None
 0.84A 3a2qA-2o56A:
undetectable		 3a2qA-2o56A:
22.58
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.
2q1z ANTI-SIGMA FACTOR
CHRR,
TRANSCRIPTIONAL
ACTIVATOR CHRR

(Rhodobacter
sphaeroides) 		PF12973
(Cupin_7)
PF13490
(zf-HC2) 		4 SER B  21
ALA B 192
ALA B 127
ALA B 125
 None
 0.71A 3a2qA-2q1zB:
undetectable		 3a2qA-2q1zB:
19.27
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.
2r26 CITRATE SYNTHASE

(Thermoplasma
acidophilum) 		PF00285
(Citrate_synt) 		4 ASN A  84
ALA A 102
ALA A 101
ALA A 105
 None
 0.89A 3a2qA-2r26A:
undetectable		 3a2qA-2r26A:
22.59
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.
2rfr UNCHARACTERIZED
PROTEIN

(Novosphingobium
aromaticivorans) 		PF13577
(SnoaL_4) 		4 SER A  40
ALA A  61
ALA A  62
ALA A  64
 None
 0.85A 3a2qA-2rfrA:
undetectable		 3a2qA-2rfrA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v7z HEAT SHOCK COGNATE
71 KDA PROTEIN

(Rattus
norvegicus) 		PF00012
(HSP70) 		4 SER A 120
ALA A 158
ALA A 157
ALA A 161
 None
 0.87A 3a2qA-2v7zA:
undetectable		 3a2qA-2v7zA:
24.49
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.
2vmx SERINE
HYDROXYMETHYLTRANSFE
RASE

(Geobacillus
stearothermophilus) 		PF00464
(SHMT) 		4 ASN A  88
ALA A  74
ALA A  78
GLN A  90
 None
 0.68A 3a2qA-2vmxA:
undetectable		 3a2qA-2vmxA:
23.63
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		4 ASN B 501
ALA B 508
ALA B 507
ALA B 345
 None
 0.85A 3a2qA-2z2mB:
undetectable		 3a2qA-2z2mB:
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.
3dwi CYSTEINE SYNTHASE B

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		4 ALA A 132
ALA A 136
ALA A 134
GLN A 151
 None
 0.90A 3a2qA-3dwiA:
undetectable		 3a2qA-3dwiA:
22.74
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N) 		4 ASN A 368
ALA A 358
ALA A 357
ALA A 363
 None
 0.83A 3a2qA-3egwA:
undetectable		 3a2qA-3egwA:
18.31
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.
3f4n PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Yersinia pestis) 		PF03740
(PdxJ) 		4 ASN A   9
ALA A  31
ALA A  30
ALA A  34
 PXP  A 501 (-4.3A)
None
None
None
 0.63A 3a2qA-3f4nA:
undetectable		 3a2qA-3f4nA:
20.49
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.
3fzy RTX TOXIN RTXA

(Vibrio cholerae) 		PF11713
(Peptidase_C80) 		4 ALA A3477
ALA A3476
ALA A3480
GLN A3491
 None
 0.69A 3a2qA-3fzyA:
undetectable		 3a2qA-3fzyA:
19.67
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.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF00464
(SHMT) 		4 ASN A  92
ALA A  78
ALA A  82
GLN A  94
 None
 0.77A 3a2qA-3g8mA:
undetectable		 3a2qA-3g8mA:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcd RTX TOXIN RTXA

(Vibrio cholerae) 		PF11713
(Peptidase_C80) 		4 ALA A  49
ALA A  48
ALA A  52
GLN A  63
 None
 0.67A 3a2qA-3gcdA:
undetectable		 3a2qA-3gcdA:
18.43
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.
3gk0 PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Burkholderia
pseudomallei) 		PF03740
(PdxJ) 		4 ASN A  16
ALA A  38
ALA A  37
ALA A  41
 None
 0.59A 3a2qA-3gk0A:
undetectable		 3a2qA-3gk0A:
22.11
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.
3h7f SERINE
HYDROXYMETHYLTRANSFE
RASE 1

(Mycobacterium
tuberculosis) 		PF00464
(SHMT) 		4 ASN A  89
ALA A  75
ALA A  79
GLN A  91
 None
 0.71A 3a2qA-3h7fA:
undetectable		 3a2qA-3h7fA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7l ENDOGLUCANASE

(Vibrio
parahaemolyticus) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N) 		4 ASN A 169
ALA A 257
ALA A 256
ALA A 260
 None
 0.73A 3a2qA-3h7lA:
undetectable		 3a2qA-3h7lA:
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASN A 266
ALA A 282
ALA A 281
ALA A 285
 None
 0.78A 3a2qA-3hpfA:
undetectable		 3a2qA-3hpfA:
22.31
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.
3iuk UNCHARACTERIZED
PROTEIN

(Paenarthrobacter
aurescens) 		PF05960
(DUF885) 		4 ASN A 138
ALA A 211
ALA A 210
ALA A 214
 None
 0.80A 3a2qA-3iukA:
undetectable		 3a2qA-3iukA:
24.75
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.
3jy6 TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Lactobacillus
brevis) 		PF13407
(Peripla_BP_4) 		4 ALA A 171
ALA A 170
ALA A 174
GLN A 294
 None
 0.67A 3a2qA-3jy6A:
undetectable		 3a2qA-3jy6A:
21.93
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.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 ASN A 556
ALA A 532
ALA A 528
GLN A 552
 None
 0.83A 3a2qA-3kbhA:
undetectable		 3a2qA-3kbhA:
20.83
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.
3lf9 4E10_D0_1IS1A_001_C
(T161)

(synthetic
construct) 		PF01765
(RRF) 		4 ALA A  63
ALA A  60
ALA A   9
GLN A  89
 None
 0.88A 3a2qA-3lf9A:
undetectable		 3a2qA-3lf9A:
13.18
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.
3mv3 COATOMER SUBUNIT
ALPHA

(Saccharomyces
cerevisiae) 		PF06957
(COPI_C) 		4 ASN A1098
ALA A1070
ALA A1069
ALA A1089
 None
 0.89A 3a2qA-3mv3A:
undetectable		 3a2qA-3mv3A:
21.31
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.
3ntn USPA1

(Moraxella
catarrhalis) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		4 ASN A 216
ALA A 222
ALA A 208
GLN A 200
 None
 0.87A 3a2qA-3ntnA:
undetectable		 3a2qA-3ntnA:
18.29
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.
3oqp PUTATIVE
ISOCHORISMATASE

(Paraburkholderia
xenovorans) 		PF00857
(Isochorismatase) 		4 ALA A  45
ALA A  46
ALA A  43
GLN A 186
 None
 0.88A 3a2qA-3oqpA:
undetectable		 3a2qA-3oqpA:
19.60
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.
3pgy SERINE
HYDROXYMETHYLTRANSFE
RASE

(Staphylococcus
aureus) 		PF00464
(SHMT) 		4 ASN A  88
ALA A  74
ALA A  78
GLN A  90
 None
 0.69A 3a2qA-3pgyA:
undetectable		 3a2qA-3pgyA:
22.52
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.
3pr7 USPA1

(Moraxella
catarrhalis) 		PF05658
(YadA_head)
PF05662
(YadA_stalk) 		4 ASN A 216
ALA A 222
ALA A 208
GLN A 200
 None
 0.86A 3a2qA-3pr7A:
undetectable		 3a2qA-3pr7A:
22.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rb9 DNA POLYMERASE III
SUBUNIT BETA

(Mycobacterium
tuberculosis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 ASN A 336
ALA A 291
ALA A 288
ALA A 310
 None
 0.89A 3a2qA-3rb9A:
undetectable		 3a2qA-3rb9A:
24.76
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.
3ttf TRANSCRIPTIONAL
REGULATORY PROTEIN

(Escherichia
coli) 		PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 ALA A 482
ALA A 481
ALA A 485
GLN A 734
 None
 0.89A 3a2qA-3ttfA:
undetectable		 3a2qA-3ttfA:
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.
3ufk UNDA

(Shewanella sp.
HRCR_06) 		PF13435
(Cytochrome_C554) 		5 SER A 349
ALA A 333
ALA A 334
ALA A 331
GLN A 341
 None
 1.05A 3a2qA-3ufkA:
undetectable		 3a2qA-3ufkA:
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.
3vkw REPLICASE LARGE
SUBUNIT

(Tobacco mosaic
virus) 		PF01443
(Viral_helicase1) 		4 ASN A 917
SER A 824
ALA A 928
ALA A 826
 None
 0.74A 3a2qA-3vkwA:
undetectable		 3a2qA-3vkwA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vrc CYTOCHROME C'

(Thermochromatium
tepidum) 		PF01322
(Cytochrom_C_2) 		4 ASN A  22
ALA A  47
ALA A  48
ALA A  50
 None
 0.85A 3a2qA-3vrcA:
undetectable		 3a2qA-3vrcA:
13.79
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.
3w3e COTYLEDONEOUS
YIELDIN-LIKE PROTEIN

(Vigna
unguiculata) 		PF00182
(Glyco_hydro_19) 		4 ALA A 127
ALA A 126
ALA A 130
GLN A 161
 None
 0.76A 3a2qA-3w3eA:
undetectable		 3a2qA-3w3eA:
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.
4b61 ALGINATE PRODUCTION
PROTEIN ALGE

(Pseudomonas
aeruginosa) 		PF13372
(Alginate_exp) 		4 ASN A 352
ALA A 331
ALA A 379
GLN A 346
 None
 0.88A 3a2qA-4b61A:
undetectable		 3a2qA-4b61A:
23.67
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.
4hdt 3-HYDROXYISOBUTYRYL-
COA HYDROLASE

(Mycolicibacterium
thermoresistibile) 		PF16113
(ECH_2) 		4 SER A 173
ALA A 217
ALA A 175
GLN A 223
 None
 0.86A 3a2qA-4hdtA:
undetectable		 3a2qA-4hdtA:
24.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jw3 ALPHA-HELICAL
ARTIFICIAL PROTEINS

(synthetic
construct) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		4 SER C  64
ALA C  33
ALA C  34
ALA C  36
 None
 0.88A 3a2qA-4jw3C:
undetectable		 3a2qA-4jw3C:
17.85
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.
4p3m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Psychromonas
ingrahamii) 		PF00464
(SHMT) 		4 ASN A  92
ALA A  78
ALA A  82
GLN A  94
 GOL  A 508 (-3.8A)
None
None
None
 0.75A 3a2qA-4p3mA:
undetectable		 3a2qA-4p3mA:
23.42
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.
4qlj BETA-GLUCOSIDASE 7

(Oryza sativa) 		PF00232
(Glyco_hydro_1) 		4 ALA A 221
ALA A 220
ALA A 224
GLN A 299
 None
 0.72A 3a2qA-4qljA:
undetectable		 3a2qA-4qljA:
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.
4rya ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL)

(Agrobacterium
vitis) 		PF01547
(SBP_bac_1) 		5 ASN A 192
SER A 241
ALA A 408
ALA A 409
ALA A 411
 None
 1.11A 3a2qA-4ryaA:
undetectable		 3a2qA-4ryaA:
23.00
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.
4tsh SURFACE PROTEIN
ADHESIN

(Streptococcus
mutans) 		no annotation 4 ALA A 101
ALA A 100
ALA A 104
GLN A 142
 None
 0.81A 3a2qA-4tshA:
undetectable		 3a2qA-4tshA:
13.47
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.
4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Streptococcus
thermophilus) 		PF00464
(SHMT) 		4 ASN A  86
ALA A  72
ALA A  76
GLN A  88
 GOL  A 503 (-4.2A)
None
None
None
 0.80A 3a2qA-4wxbA:
undetectable		 3a2qA-4wxbA:
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.
4wxb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Streptococcus
thermophilus) 		PF00464
(SHMT) 		4 ASN A 283
SER A 360
ALA A 289
ALA A 290
 None
 0.65A 3a2qA-4wxbA:
undetectable		 3a2qA-4wxbA:
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.
5a31 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 ALA A1298
ALA A1297
ALA A1301
GLN A1250
 None
 0.80A 3a2qA-5a31A:
undetectable		 3a2qA-5a31A:
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.
5a5l D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE

(Thermosynechococcus
elongatus) 		PF03320
(FBPase_glpX) 		4 ALA A  36
ALA A  35
ALA A  39
CYH A 105
 None
 0.89A 3a2qA-5a5lA:
undetectable		 3a2qA-5a5lA:
22.47
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 SER A 376
ALA A 408
ALA A 407
ALA A 411
 None
 0.65A 3a2qA-5a8rA:
undetectable		 3a2qA-5a8rA:
23.31
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.
5cv1 P GRANULE
ABNORMALITY PROTEIN
1

(Caenorhabditis
elegans) 		no annotation 4 ASN A 354
ALA A 428
ALA A 432
GLN A 358
 None
 0.82A 3a2qA-5cv1A:
undetectable		 3a2qA-5cv1A:
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.
5cv1 P GRANULE
ABNORMALITY PROTEIN
1

(Caenorhabditis
elegans) 		no annotation 4 ASN A 354
ALA A 428
ALA A 432
GLN A 358
 None
 0.88A 3a2qA-5cv1A:
undetectable		 3a2qA-5cv1A:
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.
5cwc DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 4 ALA A  84
ALA A  83
ALA A  87
GLN A 121
 None
 0.86A 3a2qA-5cwcA:
undetectable		 3a2qA-5cwcA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		4 ASN A 168
ALA A 256
ALA A 255
ALA A 259
 None
 0.80A 3a2qA-5dgqA:
undetectable		 3a2qA-5dgqA:
23.49
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.
5dlc PYRIDOXINE
5'-PHOSPHATE
SYNTHASE

(Pseudomonas
aeruginosa) 		PF03740
(PdxJ) 		4 ASN A  20
ALA A  42
ALA A  41
ALA A  45
 None
 0.58A 3a2qA-5dlcA:
undetectable		 3a2qA-5dlcA:
20.85
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.
5ewq AMIDASE

(Bacillus
anthracis) 		PF01425
(Amidase) 		5 ASN A 215
SER A 225
ALA A 257
ALA A 256
ALA A 254
 None
 1.36A 3a2qA-5ewqA:
38.0		 3a2qA-5ewqA:
24.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fac ALANINE RACEMASE

(Streptomyces
coelicolor) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 ASN A  28
ALA A  61
ALA A  60
ALA A  64
 None
 0.84A 3a2qA-5facA:
undetectable		 3a2qA-5facA:
24.72
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.
5ido 3' TERMINAL URIDYLYL
TRANSFERASE

(Trypanosoma
brucei) 		PF03828
(PAP_assoc) 		4 ALA A 437
ALA A 436
ALA A 440
GLN A 416
 None
 0.69A 3a2qA-5idoA:
undetectable		 3a2qA-5idoA:
24.91
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.
5ilt BOVINE FAB A01 HEAVY
CHAIN
BOVINE FAB A01 LIGHT
CHAIN

(Bos taurus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER L  34
ALA L  96
ALA L  91
ALA L  89
GLN H  97
 None
 1.48A 3a2qA-5iltL:
undetectable		 3a2qA-5iltL:
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.
5jry NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		5 ASN A  12
SER A 204
ALA A  49
ALA A  50
ALA A  46
 None
 1.45A 3a2qA-5jryA:
undetectable		 3a2qA-5jryA:
25.46
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.
5jxk ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Porphyromonas
endodontalis) 		PF10459
(Peptidase_S46) 		4 ALA A 526
ALA A 525
ALA A 529
GLN A 436
 None
 0.82A 3a2qA-5jxkA:
undetectable		 3a2qA-5jxkA:
21.65
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.
5ksd ATPASE 2, PLASMA
MEMBRANE-TYPE

(Arabidopsis
thaliana) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		4 ASN A 591
ALA A 612
ALA A 611
ALA A 615
 None
 0.80A 3a2qA-5ksdA:
undetectable		 3a2qA-5ksdA:
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.
5lcw ANAPHASE-PROMOTING
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF12859
(ANAPC1) 		4 ALA A1298
ALA A1297
ALA A1301
GLN A1250
 None
 0.85A 3a2qA-5lcwA:
undetectable		 3a2qA-5lcwA:
14.14
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.
5mfb YIII(DQ)4CQI

(synthetic
construct) 		PF00514
(Arm) 		4 ASN A 205
ALA A 244
ALA A 243
ALA A 247
 None
 0.87A 3a2qA-5mfbA:
undetectable		 3a2qA-5mfbA:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mmj 30S RIBOSOMAL
PROTEIN S5,
CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 4 ASN e 155
ALA e 205
ALA e 204
ALA e 208
 None
 0.78A 3a2qA-5mmje:
undetectable		 3a2qA-5mmje:
20.99
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.
5mzs FERRIC ENTEROBACTIN
RECEPTOR

(Pseudomonas
aeruginosa) 		no annotation 4 ASN A 158
ALA A  35
ALA A  39
GLN A 120
 None
 0.88A 3a2qA-5mzsA:
undetectable		 3a2qA-5mzsA:
10.42
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.
5uju NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		4 ALA A  96
ALA A  95
ALA A  99
GLN A  62
 None
 0.72A 3a2qA-5ujuA:
undetectable		 3a2qA-5ujuA:
23.01
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.
5uyt ICE-BINDING PROTEIN

(Flavobacteriaceae
bacterium
3519-10) 		no annotation 4 ASN A  75
ALA A  80
ALA A  81
GLN A  72
 None
 0.72A 3a2qA-5uytA:
undetectable		 3a2qA-5uytA:
24.56
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.
5vc2 SERINE
HYDROXYMETHYLTRANSFE
RASE

(Helicobacter
pylori) 		PF00464
(SHMT) 		4 ASN A  89
ALA A  75
ALA A  79
GLN A  91
 None
 0.59A 3a2qA-5vc2A:
undetectable		 3a2qA-5vc2A:
22.14
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.
5vmb SERINE
HYDROXYMETHYLTRANSFE
RASE

(Acinetobacter
baumannii) 		PF00464
(SHMT) 		4 ASN A  91
ALA A  77
ALA A  81
GLN A  93
 None
 0.72A 3a2qA-5vmbA:
undetectable		 3a2qA-5vmbA:
22.72
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 4 ALA A 238
ALA A 237
ALA A 241
GLN A 169
 None
 0.72A 3a2qA-5vncA:
undetectable		 3a2qA-5vncA:
10.00
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.
5xyf TERF1-INTERACTING
NUCLEAR FACTOR 2

(Homo sapiens) 		no annotation 4 SER A 186
ALA A  18
ALA A  17
ALA A 188
 None
 0.78A 3a2qA-5xyfA:
undetectable		 3a2qA-5xyfA:
14.16
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.
5zq4 SIDE

(Legionella
pneumophila) 		no annotation 4 ALA B 241
ALA B 240
ALA B 244
GLN B 327
 None
 0.88A 3a2qA-5zq4B:
undetectable		 3a2qA-5zq4B:
13.20
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.
6ao8 ARGININE--TRNA
LIGASE

(Neisseria
gonorrhoeae) 		PF00750
(tRNA-synt_1d)
PF03485
(Arg_tRNA_synt_N)
PF05746
(DALR_1) 		4 ASN A  83
ALA A  58
ALA A  62
GLN A  39
 None
 0.71A 3a2qA-6ao8A:
undetectable		 3a2qA-6ao8A:
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.
6dzs HOMOSERINE
DEHYDROGENASE

(Mycolicibacterium
hassiacum) 		no annotation 4 ASN A 161
ALA A 205
ALA A 206
ALA A 208
 None
 0.79A 3a2qA-6dzsA:
undetectable		 3a2qA-6dzsA:
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.
6et9 ACETYL-COA
ACETYLTRANSFERASE
THIOLASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 4 ASN A 375
ALA A 260
ALA A 259
ALA A 263
 None
 0.81A 3a2qA-6et9A:
undetectable		 3a2qA-6et9A:
11.25
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.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 4 ASN A 622
ALA A 688
ALA A 704
GLN A 624
 None
 0.70A 3a2qA-6etzA:
undetectable		 3a2qA-6etzA:
11.76
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.
6g1i -

(-) 		no annotation 4 ASN A 344
ALA A 316
ALA A 315
ALA A 319
 None
 0.89A 3a2qA-6g1iA:
undetectable		 3a2qA-6g1iA:
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.
6gdt -

(-) 		no annotation 4 ASN A 169
ALA A 257
ALA A 256
ALA A 260
 None
 0.79A 3a2qA-6gdtA:
undetectable		 3a2qA-6gdtA:
undetectable