SIMILAR PATTERNS OF AMINO ACIDS FOR 3B2R_A_VDNA1_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.
1a2v METHYLAMINE OXIDASE

(Ogataea angusta) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3) 		5 ILE A 468
LEU A 643
ALA A 418
ILE A 419
PHE A 293
 None
 1.06A 3b2rA-1a2vA:
undetectable		 3b2rA-1a2vA:
17.11
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.
1b0b HEMOGLOBIN

(Phacoides
pectinatus) 		PF00042
(Globin) 		5 ALA A 108
VAL A  39
PHE A  43
MET A  30
PHE A  28
 None
HEM  A 144 ( 3.6A)
HEM  A 144 ( 3.8A)
None
None
 1.09A 3b2rA-1b0bA:
undetectable		 3b2rA-1b0bA:
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.
1by7 PROTEIN (PLASMINOGEN
ACTIVATOR
INHIBITOR-2)

(Homo sapiens) 		PF00079
(Serpin) 		5 LEU A 314
ALA A 358
PHE A  16
ILE A 406
PHE A 396
 None
 1.05A 3b2rA-1by7A:
undetectable		 3b2rA-1by7A:
21.50
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.
1d5f E6AP HECT CATALYTIC
DOMAIN, E3 LIGASE

(Homo sapiens) 		PF00632
(HECT) 		5 ILE A 770
LEU A 840
ALA A 842
ILE A 843
ILE A 804
 None
 1.03A 3b2rA-1d5fA:
undetectable		 3b2rA-1d5fA:
21.84
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.
1g6o CAG-ALPHA

(Helicobacter
pylori) 		PF00437
(T2SSE) 		5 ILE A 164
LEU A 269
ILE A 188
VAL A 314
PHE A 325
 None
 1.11A 3b2rA-1g6oA:
undetectable		 3b2rA-1g6oA:
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.
1gaj HIGH-AFFINITY
BRANCHED CHAIN AMINO
ACID TRANSPORT
ATP-BINDING PROTEIN

(Methanocaldococcus
jannaschii) 		PF00005
(ABC_tran) 		5 ILE A  28
LEU A  23
ALA A  59
VAL A  64
ILE A  84
 None
 1.00A 3b2rA-1gajA:
undetectable		 3b2rA-1gajA:
21.32
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.
1ij5 PLASMODIAL SPECIFIC
LAV1-2 PROTEIN

(Physarum
polycephalum) 		PF13202
(EF-hand_5) 		5 LEU A 311
ALA A 314
ILE A 316
ILE A 187
PHE A 352
 None
 0.91A 3b2rA-1ij5A:
2.5		 3b2rA-1ij5A:
21.53
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.
1jik TYROSYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00579
(tRNA-synt_1b) 		5 LEU A 173
ALA A 175
ILE A 176
VAL A 144
PHE A 136
 None
 0.87A 3b2rA-1jikA:
undetectable		 3b2rA-1jikA:
23.39
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.
1oy3 TRANSCRIPTION FACTOR
INHIBITOR
I-KAPPA-B-BETA

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ILE D  67
LEU D 104
ALA D 102
ILE D 103
GLN D  95
 None
 1.05A 3b2rA-1oy3D:
undetectable		 3b2rA-1oy3D:
21.70
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 LEU A 139
ILE A 140
VAL A 160
ILE A 237
PHE A 193
 None
 0.86A 3b2rA-1ps9A:
undetectable		 3b2rA-1ps9A:
18.56
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.
1soj CGMP-INHIBITED
3',5'-CYCLIC
PHOSPHODIESTERASE B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 736
HIS A 737
PHE A 959
GLN A 988
PHE A 991
 IBM  A2111 (-4.5A)
IBM  A2111 ( 4.8A)
None
IBM  A2111 (-3.3A)
IBM  A2111 (-3.6A)
 0.50A 3b2rA-1sojA:
30.1		 3b2rA-1sojA:
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 ILE A 266
LEU A  35
ALA A 118
ILE A 110
MET A  23
 NH3  A 401 (-3.9A)
None
None
NH3  A 402 ( 4.8A)
NH3  A 402 (-4.4A)
 1.12A 3b2rA-1u7gA:
undetectable		 3b2rA-1u7gA:
22.08
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.
1us4 PUTATIVE GLUR0
LIGAND BINDING CORE

(Thermus
thermophilus) 		PF16868
(NMT1_3) 		5 ILE A  39
LEU A 108
ALA A 291
PHE A 264
PHE A 275
 None
 1.01A 3b2rA-1us4A:
undetectable		 3b2rA-1us4A:
22.84
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.
1v5w MEIOTIC
RECOMBINATION
PROTEIN DMC1/LIM15
HOMOLOG

(Homo sapiens) 		PF08423
(Rad51) 		5 ILE A 335
ALA A 124
ILE A 301
ILE A 101
PHE A 108
 None
 1.06A 3b2rA-1v5wA:
undetectable		 3b2rA-1v5wA:
22.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zkl HIGH-AFFINITY
CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 7A

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 211
HIS A 212
VAL A 380
PHE A 384
ILE A 409
GLN A 413
PHE A 416
 IBM  A 503 (-4.6A)
None
IBM  A 503 (-4.7A)
IBM  A 503 (-4.5A)
None
IBM  A 503 (-3.0A)
IBM  A 503 (-3.4A)
 0.86A 3b2rA-1zklA:
30.7		 3b2rA-1zklA:
28.69
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.
2dhr FTSH

(Thermus
thermophilus) 		PF00004
(AAA)
PF01434
(Peptidase_M41) 		5 LEU A 194
ALA A 164
ILE A 323
VAL A 158
ILE A 334
 None
None
None
None
ADP  A1001 (-3.7A)
 0.87A 3b2rA-2dhrA:
undetectable		 3b2rA-2dhrA:
20.24
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.
2dq3 SERYL-TRNA
SYNTHETASE

(Aquifex
aeolicus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 ILE A 167
LEU A 397
ALA A 395
ILE A 396
ILE A 179
 None
 1.03A 3b2rA-2dq3A:
2.8		 3b2rA-2dq3A:
22.27
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 LEU A 643
ILE A 780
VAL A 621
ILE A 825
PHE A 798
 None
 1.11A 3b2rA-2dw4A:
2.8		 3b2rA-2dw4A:
19.82
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.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 ILE A  61
LEU A 221
ALA A 224
ILE A 225
ILE A  80
 None
 1.06A 3b2rA-2gouA:
undetectable		 3b2rA-2gouA:
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.
2ho4 HALOACID
DEHALOGENASE-LIKE
HYDROLASE DOMAIN
CONTAINING 2

(Mus musculus) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 ALA A 250
ILE A 254
VAL A  12
PHE A  44
MET A  41
 None
 1.12A 3b2rA-2ho4A:
undetectable		 3b2rA-2ho4A:
23.17
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.
2nz4 U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN A

(Homo sapiens) 		PF00076
(RRM_1) 		5 ILE A  21
LEU A  30
ALA A  32
ILE A  33
PHE A  77
 None
 0.97A 3b2rA-2nz4A:
undetectable		 3b2rA-2nz4A:
14.11
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.
2qyk CYCLIC AMP-SPECIFIC
PHOSPHODIESTERASE
HSPDE4A10

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 371
HIS A 372
LEU A 531
PHE A 552
GLN A 581
PHE A 584
 NPV  A   3 (-4.4A)
NPV  A   3 (-4.6A)
None
NPV  A   3 (-4.8A)
NPV  A   3 (-3.1A)
NPV  A   3 (-3.3A)
 0.61A 3b2rA-2qykA:
31.5		 3b2rA-2qykA:
29.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2r8q CLASS I
PHOSPHODIESTERASE
PDEB1

(Leishmania
major) 		PF00233
(PDEase_I) 		6 TYR A 680
HIS A 681
VAL A 853
PHE A 857
GLN A 887
PHE A 890
 IBM  A   3 ( 4.7A)
IBM  A   3 ( 4.8A)
IBM  A   3 ( 4.8A)
IBM  A   3 (-4.9A)
IBM  A   3 (-3.3A)
IBM  A   3 (-3.6A)
 0.55A 3b2rA-2r8qA:
33.6		 3b2rA-2r8qA:
30.81
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.
2rtx PEPTIDYL-TRNA
HYDROLASE YAEJ

(Escherichia
coli) 		PF00472
(RF-1) 		5 ILE A   2
LEU A  48
ILE A  43
ILE A  72
PHE A  41
 None
 1.10A 3b2rA-2rtxA:
undetectable		 3b2rA-2rtxA:
17.43
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.
2x06 L-SULFOLACTATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF02615
(Ldh_2) 		5 TYR A 342
ILE A  12
ILE A 331
ILE A 320
PHE A  49
 None
 1.05A 3b2rA-2x06A:
undetectable		 3b2rA-2x06A:
23.16
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.
3ahm OLIGOPEPTIDASE

(Geobacillus sp.
MO-1) 		no annotation 5 ILE A 495
ALA A 248
ILE A 247
VAL A 240
PHE A 236
 None
 1.06A 3b2rA-3ahmA:
3.6		 3b2rA-3ahmA:
20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		11 TYR A 612
HIS A 613
LEU A 765
ALA A 767
ILE A 768
VAL A 782
PHE A 786
ILE A 813
MET A 816
GLN A 817
PHE A 820
 None
MG  A 877 (-4.4A)
WAN  A 901 ( 4.7A)
WAN  A 901 ( 3.9A)
WAN  A 901 ( 4.9A)
WAN  A 901 ( 4.9A)
WAN  A 901 (-4.8A)
WAN  A 901 ( 4.3A)
WAN  A 901 (-4.3A)
WAN  A 901 (-3.1A)
WAN  A 901 (-3.7A)
 0.58A 3b2rA-3bjcA:
46.0		 3b2rA-3bjcA:
38.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bjc CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 612
HIS A 617
LEU A 765
ILE A 768
GLN A 817
PHE A 820
 None
ZN  A 876 (-3.3A)
WAN  A 901 ( 4.7A)
WAN  A 901 ( 4.9A)
WAN  A 901 (-3.1A)
WAN  A 901 (-3.7A)
 1.40A 3b2rA-3bjcA:
46.0		 3b2rA-3bjcA:
38.24
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.
3e1k GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Kluyveromyces
lactis) 		PF01408
(GFO_IDH_MocA) 		5 ILE A  40
ILE A 388
VAL A  91
PHE A  22
ILE A  87
 None
 1.06A 3b2rA-3e1kA:
undetectable		 3b2rA-3e1kA:
20.89
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.
3ecn HIGH AFFINITY
CAMP-SPECIFIC AND
IBMX-INSENSITIVE
3',5'-CYCLIC
PHOSPHODIESTERASE 8A

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 555
HIS A 556
ILE A 774
GLN A 778
PHE A 781
 None
None
None
IBM  A   3 (-3.4A)
IBM  A   3 (-3.5A)
 0.58A 3b2rA-3ecnA:
30.5		 3b2rA-3ecnA:
25.27
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.
3ef1 RNA POLYMERASE II
SUBUNIT A C-TERMINAL
DOMAIN PHOSPHATASE

(Schizosaccharomyces
pombe) 		PF03031
(NIF)
PF12738
(PTCB-BRCT) 		5 LEU A 453
ILE A 233
VAL A 169
ILE A 257
PHE A 229
 None
None
BFD  A 170 ( 3.0A)
None
None
 1.13A 3b2rA-3ef1A:
undetectable		 3b2rA-3ef1A:
22.39
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.
3g4g CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 325
HIS A 326
LEU A 485
PHE A 506
GLN A 535
PHE A 538
 None
D71  A 901 (-4.5A)
None
D71  A 901 (-4.8A)
D71  A 901 (-3.1A)
D71  A 901 (-3.9A)
 0.71A 3b2rA-3g4gA:
31.2		 3b2rA-3g4gA:
26.70
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.
3gmi UPF0348 PROTEIN
MJ0951

(Methanocaldococcus
jannaschii) 		PF05636
(HIGH_NTase1)
PF16581
(HIGH_NTase1_ass) 		5 ILE A 162
LEU A 184
ILE A 175
PHE A 218
MET A 198
 None
 1.00A 3b2rA-3gmiA:
undetectable		 3b2rA-3gmiA:
22.39
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.
3hbj FLAVONOID
3-O-GLUCOSYLTRANSFER
ASE

(Medicago
truncatula) 		PF00201
(UDPGT) 		5 ILE A 231
LEU A 383
ILE A 382
ILE A 161
PHE A 182
 None
 1.02A 3b2rA-3hbjA:
undetectable		 3b2rA-3hbjA:
23.24
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.
3hpf MUCONATE
CYCLOISOMERASE

(Oceanobacillus
iheyensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 278
ILE A 272
ILE A 257
GLN A 253
PHE A 250
 None
 1.04A 3b2rA-3hpfA:
undetectable		 3b2rA-3hpfA:
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		6 TYR A 655
HIS A 656
LEU A 809
ILE A 855
GLN A 859
PHE A 862
 None
 0.85A 3b2rA-3ibjA:
36.7		 3b2rA-3ibjA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j31 C381 TURRET PROTEIN

(Sulfolobus
turreted
icosahedral
virus 1) 		no annotation 5 LEU P 211
ILE P 209
VAL P 239
PHE P 171
ILE P 232
 None
 1.12A 3b2rA-3j31P:
undetectable		 3b2rA-3j31P:
20.40
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.
3kg4 UNCHARACTERIZED
PROTEIN

([Mannheimia]
succiniciproducens) 		PF09704
(Cas_Cas5d) 		5 LEU A   7
ALA A 118
ILE A   5
MET A 138
PHE A 139
 None
 1.03A 3b2rA-3kg4A:
undetectable		 3b2rA-3kg4A:
20.36
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.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II

(Brucella
melitensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ILE A 308
LEU A 295
ALA A 298
ILE A 300
ILE A 364
 None
 1.09A 3b2rA-3kzuA:
undetectable		 3b2rA-3kzuA:
20.31
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A 635
LEU A 633
ALA A 613
ILE A 614
PHE A 653
 None
 1.05A 3b2rA-3m49A:
undetectable		 3b2rA-3m49A:
17.60
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.
3max HISTONE DEACETYLASE
2

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS A  73
LEU A 166
ALA A 164
ILE A 165
PHE A 192
 None
 1.09A 3b2rA-3maxA:
undetectable		 3b2rA-3maxA:
20.73
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.
3mc6 SPHINGOSINE-1-PHOSPH
ATE LYASE

(Saccharomyces
cerevisiae) 		PF00282
(Pyridoxal_deC) 		5 ILE C 529
LEU C 491
ILE C 488
PHE C 457
ILE C 470
 None
 1.07A 3b2rA-3mc6C:
undetectable		 3b2rA-3mc6C:
20.38
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.
3mt1 PUTATIVE
CARBOXYNORSPERMIDINE
DECARBOXYLASE
PROTEIN

(Sinorhizobium
meliloti) 		PF00278
(Orn_DAP_Arg_deC) 		5 ILE A 156
LEU A 187
ALA A 189
ILE A 188
PHE A 159
 None
 0.97A 3b2rA-3mt1A:
undetectable		 3b2rA-3mt1A:
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		5 ILE A 335
LEU A 485
ALA A 487
ILE A 486
PHE A 345
 None
 1.11A 3b2rA-3nbuA:
undetectable		 3b2rA-3nbuA:
20.30
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.
3o57 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 233
HIS A 234
LEU A 393
PHE A 414
GLN A 443
PHE A 446
 None
None
None
ZG2  A 506 (-4.4A)
ZG2  A 506 (-3.3A)
ZG2  A 506 (-3.6A)
 0.62A 3b2rA-3o57A:
31.3		 3b2rA-3o57A:
28.57
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 LEU A 187
ALA A 185
VAL A 227
PHE A 260
PHE A 245
 None
 1.12A 3b2rA-3oksA:
undetectable		 3b2rA-3oksA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oyo HEMOPEXIN FOLD
PROTEIN CP4

(Vigna
unguiculata) 		PF00045
(Hemopexin) 		5 LEU A  98
ILE A  97
VAL A  77
PHE A  10
ILE A  47
 None
 1.11A 3b2rA-3oyoA:
undetectable		 3b2rA-3oyoA:
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.
3pt3 E3 UBIQUITIN-PROTEIN
LIGASE UBR5

(Homo sapiens) 		PF00632
(HECT) 		5 ILE A2717
LEU A2788
ALA A2790
ILE A2791
ILE A2752
 None
 1.11A 3b2rA-3pt3A:
undetectable		 3b2rA-3pt3A:
16.72
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.
3r11 ENZYME OF ENOLASE
SUPERFAMILY

(Francisella
philomiragia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 286
ILE A 291
VAL A 248
ILE A 228
MET A 231
 None
 1.13A 3b2rA-3r11A:
undetectable		 3b2rA-3r11A:
22.56
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.
3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 159
HIS A 160
LEU A 319
PHE A 340
GLN A 369
PHE A 372
 TYR  A 159 (-1.3A)
HIS  A 160 ( 1.0A)
LEU  A 319 ( 0.6A)
PHE  A 340 (-1.3A)
GLN  A 369 (-0.6A)
PHE  A 372 (-1.3A)
 0.55A 3b2rA-3sl5A:
31.7		 3b2rA-3sl5A:
29.28
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.
3tos CALS11

(Micromonospora
echinospora) 		PF05711
(TylF) 		5 LEU A 200
ALA A 202
ILE A 203
VAL A 167
PHE A 188
 None
None
None
SAH  A 258 (-3.6A)
None
 0.98A 3b2rA-3tosA:
undetectable		 3b2rA-3tosA:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ui7 CAMP AND
CAMP-INHIBITED CGMP
3',5'-CYCLIC
PHOSPHODIESTERASE
10A

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 524
HIS A 525
LEU A 675
PHE A 696
GLN A 726
PHE A 729
 C1L  A   1 ( 4.8A)
C1L  A   1 (-4.1A)
C1L  A   1 (-4.3A)
C1L  A   1 ( 4.7A)
C1L  A   1 (-2.9A)
C1L  A   1 (-3.5A)
 0.69A 3b2rA-3ui7A:
36.5		 3b2rA-3ui7A:
40.64
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.
3ukf UDP-GALACTOPYRANOSE
MUTASE

(Aspergillus
fumigatus) 		PF13450
(NAD_binding_8) 		5 LEU A 157
ALA A 155
ILE A 154
GLN A 107
PHE A 106
 None
None
None
GDU  A 802 (-3.1A)
None
 1.05A 3b2rA-3ukfA:
undetectable		 3b2rA-3ukfA:
20.31
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.
3uwd PHOSPHOGLYCERATE
KINASE

(Bacillus
anthracis) 		PF00162
(PGK) 		5 HIS A 231
ALA A 222
ILE A 217
ILE A 302
PHE A 260
 None
 1.02A 3b2rA-3uwdA:
undetectable		 3b2rA-3uwdA:
20.37
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.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		6 TYR A 367
HIS A 368
ALA A 524
PHE A 542
GLN A 570
PHE A 573
 WYQ  A 701 (-4.5A)
None
None
WYQ  A 701 (-4.7A)
WYQ  A 701 (-3.3A)
WYQ  A 701 (-3.4A)
 0.77A 3b2rA-3v94A:
30.3		 3b2rA-3v94A:
28.45
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.
4bkx HISTONE DEACETYLASE
1

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 HIS B  68
LEU B 161
ALA B 159
ILE B 160
PHE B 187
 None
 1.06A 3b2rA-4bkxB:
undetectable		 3b2rA-4bkxB:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4htz CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I) 		7 TYR A 655
HIS A 656
LEU A 809
PHE A 830
ILE A 855
GLN A 859
PHE A 862
 None
 0.61A 3b2rA-4htzA:
35.8		 3b2rA-4htzA:
35.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		6 TYR A 668
HIS A 669
VAL A 840
PHE A 844
GLN A 874
PHE A 877
 None
 0.63A 3b2rA-4i15A:
32.7		 3b2rA-4i15A:
31.48
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.
4ifq NUCLEOPORIN NUP192

(Saccharomyces
cerevisiae) 		PF11894
(Nup192) 		5 ILE A  56
LEU A  93
ILE A  92
ILE A  75
PHE A  70
 None
 1.07A 3b2rA-4ifqA:
undetectable		 3b2rA-4ifqA:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jis RIBITOL-5-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Bacillus
subtilis) 		PF01128
(IspD) 		5 ILE A  32
LEU A 231
ALA A 229
ILE A 230
PHE A 116
 None
 1.13A 3b2rA-4jisA:
undetectable		 3b2rA-4jisA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mna LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 645
ILE A 641
VAL A 693
ILE A 689
PHE A 680
 None
 1.07A 3b2rA-4mnaA:
undetectable		 3b2rA-4mnaA:
20.21
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.
4n3o PUTATIVE
D-GLYCERO-D-MANNO-HE
PTOSE 7-PHOSPHATE
KINASE

(Campylobacter
jejuni) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 ILE A  84
LEU A 143
ALA A 141
ILE A 140
ILE A  41
 None
 1.13A 3b2rA-4n3oA:
undetectable		 3b2rA-4n3oA:
20.97
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.
4pkd U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
A,U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN 70
KDA

(Homo sapiens;
Sus scrofa) 		PF00076
(RRM_1)
PF12220
(U1snRNP70_N) 		5 ILE B  21
LEU B  30
ALA B  32
ILE B  33
PHE B  77
 None
 0.89A 3b2rA-4pkdB:
undetectable		 3b2rA-4pkdB:
18.99
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.
4pl2 DUAL-SPECIFICITY RNA
METHYLTRANSFERASE
RLMN

(Escherichia
coli) 		no annotation 5 ILE B 170
ALA B 191
ILE B 149
VAL B 119
ILE B  97
 None
 1.10A 3b2rA-4pl2B:
undetectable		 3b2rA-4pl2B:
20.48
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.
4q5r GLUTATHIONE
S-TRANSFERASE

(Blattella
germanica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A 189
ALA A 191
ILE A 192
ILE A  19
PHE A 155
 None
 1.07A 3b2rA-4q5rA:
undetectable		 3b2rA-4q5rA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qts CRISPR TYPE
III-ASSOCIATED RAMP
PROTEIN CSM3

(Methanocaldococcus
jannaschii) 		PF03787
(RAMPs) 		5 ILE C 205
ILE C 174
VAL C 161
PHE C 159
ILE C  59
 None
 1.03A 3b2rA-4qtsC:
undetectable		 3b2rA-4qtsC:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		5 ILE B 169
LEU B 182
PHE B 141
ILE B  54
PHE B 158
 None
 1.05A 3b2rA-4qtuB:
undetectable		 3b2rA-4qtuB:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r7b CHOLINE KINASE

(Streptococcus
pneumoniae) 		PF01633
(Choline_kinase) 		5 HIS A 117
ILE A 112
LEU A 210
ALA A 209
PHE A 182
 None
 0.97A 3b2rA-4r7bA:
undetectable		 3b2rA-4r7bA:
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.
4s1a UNCHARACTERIZED
PROTEIN

(Ruminiclostridium
thermocellum) 		PF13200
(DUF4015) 		5 ILE A 238
LEU A 218
ALA A 222
ILE A 219
PHE A 265
 None
 0.96A 3b2rA-4s1aA:
undetectable		 3b2rA-4s1aA:
20.00
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.
4wzi CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		PF00233
(PDEase_I) 		6 TYR A 405
HIS A 406
LEU A 565
PHE A 586
GLN A 615
PHE A 618
 None
MG  A 804 ( 4.9A)
None
None
None
None
 0.70A 3b2rA-4wziA:
31.5		 3b2rA-4wziA:
22.43
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		5 LEU A 454
ALA A 456
ILE A 451
ILE A 419
GLN A 283
 None
 1.07A 3b2rA-4yjiA:
undetectable		 3b2rA-4yjiA:
23.58
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.
5ay7 XYLANASE

(Aegilops
speltoides) 		PF00331
(Glyco_hydro_10) 		5 ILE A 206
LEU A 195
ILE A 192
VAL A 235
ILE A 239
 None
 1.13A 3b2rA-5ay7A:
undetectable		 3b2rA-5ay7A:
22.56
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.
5b25 CALCIUM/CALMODULIN-D
EPENDENT
3',5'-CYCLIC
NUCLEOTIDE
PHOSPHODIESTERASE 1B

(Homo sapiens) 		PF00233
(PDEase_I) 		5 TYR A 222
HIS A 223
PHE A 392
GLN A 421
PHE A 424
 None
4QJ  A 603 ( 4.9A)
GOL  A 607 (-3.9A)
4QJ  A 603 (-3.0A)
4QJ  A 603 (-3.5A)
 0.57A 3b2rA-5b25A:
30.3		 3b2rA-5b25A:
28.49
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.
5b2o CRISPR-ASSOCIATED
ENDONUCLEASE CAS9

(Francisella
tularensis) 		no annotation 5 ILE A1212
LEU A1185
ILE A1183
ILE A1124
PHE A1170
 None
 0.99A 3b2rA-5b2oA:
undetectable		 3b2rA-5b2oA:
12.31
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.
5dds CRMG

(Actinoalloteichus
sp. WH1-2216-6) 		PF00202
(Aminotran_3) 		5 ILE A 101
LEU A 342
ALA A 345
ILE A 346
VAL A 392
 None
 0.98A 3b2rA-5ddsA:
undetectable		 3b2rA-5ddsA:
21.63
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.
5dgk ACTIVE HELICASE

(Staphylococcus
aureus) 		PF06048
(DUF927) 		5 ILE A 486
ILE A 445
VAL A 452
PHE A 459
ILE A 482
 None
 1.07A 3b2rA-5dgkA:
undetectable		 3b2rA-5dgkA:
18.52
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.
5doo PROTEIN LYSINE
METHYLTRANSFERASE 2

(Rickettsia
typhi) 		PF10119
(MethyTransf_Reg)
PF13847
(Methyltransf_31) 		5 ILE A 469
LEU A 495
ALA A 497
ILE A 490
VAL A 518
 None
 1.05A 3b2rA-5dooA:
undetectable		 3b2rA-5dooA:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h2r PHOSPHODIESTERASE

(Trypanosoma
brucei) 		no annotation 6 TYR A 668
HIS A 669
VAL A 841
PHE A 845
GLN A 875
PHE A 878
 LLN  A1003 ( 4.8A)
None
LLN  A1003 (-4.6A)
LLN  A1003 (-4.6A)
LLN  A1003 (-3.0A)
LLN  A1003 (-3.8A)
 0.54A 3b2rA-5h2rA:
33.2		 3b2rA-5h2rA:
33.33
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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 ILE A   7
LEU A 437
ALA A 409
ILE A 407
ILE A 162
 None
 1.09A 3b2rA-5habA:
undetectable		 3b2rA-5habA:
20.55
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.
5hdl CELL SURFACE PROTEIN
SPAA

(Lactobacillus
rhamnosus) 		no annotation 5 ILE A 200
LEU A 210
ILE A 225
PHE A 284
PHE A 245
 None
 1.08A 3b2rA-5hdlA:
undetectable		 3b2rA-5hdlA:
20.54
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.
5hdt SISTER CHROMATID
COHESION PROTEIN
PDS5 HOMOLOG B

(Homo sapiens) 		no annotation 5 TYR A 478
ILE A 622
LEU A 650
ALA A 648
ILE A 613
 None
 1.06A 3b2rA-5hdtA:
undetectable		 3b2rA-5hdtA:
14.57
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.
5jbg LGP2

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		5 ILE A 450
ALA A 398
ILE A 396
VAL A 370
PHE A 360
 None
 1.12A 3b2rA-5jbgA:
undetectable		 3b2rA-5jbgA:
19.45
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.
5kiq PLATELET-BINDING
GLYCOPROTEIN

(Streptococcus
sanguinis) 		no annotation 5 ILE A 366
ILE A 349
VAL A 326
PHE A 273
PHE A 364
 None
 1.08A 3b2rA-5kiqA:
undetectable		 3b2rA-5kiqA:
18.18
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 LEU A 643
ILE A 780
VAL A 621
ILE A 825
PHE A 798
 None
 1.12A 3b2rA-5l3dA:
2.7		 3b2rA-5l3dA:
17.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mqc VP1
VP2

(Black queen
cell virus) 		PF00073
(Rhv)
PF08762
(CRPV_capsid) 		5 LEU B 138
ALA A 114
VAL B 176
PHE B 175
ILE B 173
 None
 1.06A 3b2rA-5mqcB:
undetectable		 3b2rA-5mqcB:
18.58
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.
5n6u BETA-MANNOSIDASE

(Dictyoglomus
thermophilum) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 ILE A 225
ILE A 249
VAL A 194
PHE A 291
PHE A 223
 None
 1.08A 3b2rA-5n6uA:
undetectable		 3b2rA-5n6uA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ng7 EPOXIDE HYDROLASE

(metagenome) 		no annotation 6 TYR A 148
ALA A 243
ILE A 244
VAL A 149
ILE A 218
MET A 133
 None
 1.28A 3b2rA-5ng7A:
undetectable		 3b2rA-5ng7A:
14.15
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.
5o8x SOLUBLE LYTIC
TRANSGLYCOSYLASE B

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A 145
ALA A 147
PHE A  35
GLN A  30
PHE A  26
 None
 1.10A 3b2rA-5o8xA:
undetectable		 3b2rA-5o8xA:
11.82
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.
5ohj CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B

(Homo sapiens) 		no annotation 6 TYR A 405
HIS A 406
LEU A 565
PHE A 586
GLN A 615
PHE A 618
 None
None
9VE  A 801 (-4.7A)
9VE  A 801 (-3.6A)
9VE  A 801 (-3.2A)
9VE  A 801 (-3.9A)
 0.68A 3b2rA-5ohjA:
31.5		 3b2rA-5ohjA:
13.64
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.
5ot1 PULLULANASE TYPE II,
GH13 FAMILY

(Thermococcus
kodakarensis) 		no annotation 5 LEU A 485
ALA A 489
ILE A 486
VAL A 502
PHE A 514
 None
 0.97A 3b2rA-5ot1A:
undetectable		 3b2rA-5ot1A:
15.91
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.
5wc2 PACHYTENE CHECKPOINT
PROTEIN 2 HOMOLOG

(Homo sapiens) 		no annotation 5 ILE A 284
ALA A 122
VAL A 249
ILE A 240
PHE A 233
 None
 1.09A 3b2rA-5wc2A:
undetectable		 3b2rA-5wc2A:
13.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wh6 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D

(Homo sapiens) 		no annotation 6 TYR A 159
HIS A 160
LEU A 319
PHE A 340
GLN A 369
PHE A 372
 AKJ  A 601 ( 4.7A)
None
AKJ  A 601 ( 4.6A)
AKJ  A 601 (-4.5A)
AKJ  A 601 (-3.0A)
AKJ  A 601 (-4.1A)
 0.68A 3b2rA-5wh6A:
31.3		 3b2rA-5wh6A:
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.
5x03 HTH-TYPE
TRANSCRIPTIONAL
REGULATORY PROTEIN
GABR

(Bacillus
subtilis) 		PF00155
(Aminotran_1_2) 		5 LEU A 378
ILE A 379
VAL A 390
PHE A 405
PHE A 401
 None
 0.89A 3b2rA-5x03A:
undetectable		 3b2rA-5x03A:
23.10
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.
5ysq TM0415

(Thermotoga
maritima) 		no annotation 5 ALA A  31
ILE A  32
VAL A  65
PHE A  67
PHE A  57
 None
 1.01A 3b2rA-5ysqA:
undetectable		 3b2rA-5ysqA:
13.52
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 ILE A 334
LEU A 484
ALA A 486
ILE A 485
PHE A 344
 None
 1.12A 3b2rA-6bzcA:
undetectable		 3b2rA-6bzcA:
15.20
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.
6cmn TAR-BINDING PROTEIN
6.7

(Oryctolagus
cuniculus) 		no annotation 5 ILE A  21
LEU A  30
ALA A  32
ILE A  33
PHE A  77
 None
 0.97A 3b2rA-6cmnA:
undetectable		 3b2rA-6cmnA:
13.37
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.
6dk2 -

(-) 		no annotation 5 ILE A 127
LEU A 105
ALA A 108
ILE A 109
PHE A 182
 None
 1.12A 3b2rA-6dk2A:
undetectable		 3b2rA-6dk2A:
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.
6f4j U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN A

(Drosophila
melanogaster) 		no annotation 5 ILE C  18
LEU C  27
ALA C  29
ILE C  30
PHE C  74
 None
 0.90A 3b2rA-6f4jC:
undetectable		 3b2rA-6f4jC:
15.36
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.
6gww PEROXIREDOXIN

(Sulfolobus
islandicus) 		no annotation 5 LEU A 154
ALA A 156
ILE A 157
VAL A 127
PHE A  63
 None
 1.07A 3b2rA-6gwwA:
undetectable		 3b2rA-6gwwA:
13.00