SIMILAR PATTERNS OF AMINO ACIDS FOR 2Q63_A_1UNA1001_4

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.
1a5l UREASE (ALPHA
SUBUNIT)


(Klebsiella
aerogenes)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
3 ASP C 103
ASN C 101
THR C 116
None
0.76A 2q63B-1a5lC:
0.0
2q63B-1a5lC:
10.93
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.
1aql BILE-SALT ACTIVATED
LIPASE


(Bos taurus)
PF00135
(COesterase)
3 ASP A  79
ASN A  77
THR A 267
None
0.80A 2q63B-1aqlA:
0.0
2q63B-1aqlA:
12.05
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.
1att ANTITHROMBIN III

(Bos taurus)
PF00079
(Serpin)
3 ASP A 201
ASN A 188
THR A 219
None
0.74A 2q63B-1attA:
0.0
2q63B-1attA:
12.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)


(Thermotoga
maritima)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
3 ASP A 337
ASN A 341
THR A 346
None
0.68A 2q63B-1b3bA:
0.0
2q63B-1b3bA:
14.29
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.
1bvu PROTEIN (GLUTAMATE
DEHYDROGENASE)


(Thermococcus
litoralis)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
3 ASP A 339
ASN A 343
THR A 348
None
0.71A 2q63B-1bvuA:
0.0
2q63B-1bvuA:
13.51
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.
1de6 L-RHAMNOSE ISOMERASE

(Escherichia
coli)
PF06134
(RhaA)
3 ASP A 138
ASN A 101
THR A 350
None
0.76A 2q63B-1de6A:
0.0
2q63B-1de6A:
12.26
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.
1et6 SUPERANTIGEN SMEZ-2

(Streptococcus
pyogenes)
PF01123
(Stap_Strp_toxin)
PF02876
(Stap_Strp_tox_C)
3 ASP A 198
ASN A 196
THR A  92
None
0.76A 2q63B-1et6A:
0.0
2q63B-1et6A:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1feh PROTEIN (PERIPLASMIC
HYDROGENASE 1)


(Clostridium
pasteurianum)
PF02256
(Fe_hyd_SSU)
PF02906
(Fe_hyd_lg_C)
PF12838
(Fer4_7)
PF13510
(Fer2_4)
3 ASP A  25
ASN A  26
THR A  74
None
0.70A 2q63B-1fehA:
undetectable
2q63B-1fehA:
11.05
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.
1h17 FORMATE
ACETYLTRANSFERASE 1


(Escherichia
coli)
PF01228
(Gly_radical)
PF02901
(PFL-like)
3 ASP A 403
ASN A 401
THR A 372
None
0.70A 2q63B-1h17A:
0.0
2q63B-1h17A:
9.27
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.
1h75 GLUTAREDOXIN-LIKE
PROTEIN NRDH


(Escherichia
coli)
PF00462
(Glutaredoxin)
3 ASP A  34
ASN A  32
THR A   4
None
0.64A 2q63B-1h75A:
undetectable
2q63B-1h75A:
19.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h9r MOLYBDENUM TRANSPORT
PROTEIN MODE


(Escherichia
coli)
PF03459
(TOBE)
3 ASP A 200
ASN A 201
THR A 248
None
0.81A 2q63B-1h9rA:
undetectable
2q63B-1h9rA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jyl CTP:PHOSPHOCHOLINE
CYTIDYLYLTRANSFERASE


(Streptococcus
pneumoniae)
PF00483
(NTP_transferase)
3 ASP A 197
ASN A 198
THR A 169
None
0.78A 2q63B-1jylA:
undetectable
2q63B-1jylA:
17.65
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.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum)
PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ)
3 ASP A 699
ASN A 700
THR A 744
None
0.81A 2q63B-1k32A:
undetectable
2q63B-1k32A:
6.09
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.
1l1f GLUTAMATE
DEHYDROGENASE 1


(Homo sapiens)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
3 ASP A 374
ASN A 378
THR A 383
None
0.71A 2q63B-1l1fA:
undetectable
2q63B-1l1fA:
13.36
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.
1ly1 POLYNUCLEOTIDE
KINASE


(Escherichia
virus T4)
PF13671
(AAA_33)
3 ASP A  35
ASN A  33
THR A  67
SO4  A 602 ( 3.7A)
None
None
0.73A 2q63B-1ly1A:
undetectable
2q63B-1ly1A:
19.10
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.
1mkx PRETHROMBIN-2

(Bos taurus)
PF00089
(Trypsin)
PF09396
(Thrombin_light)
3 ASP K 100
ASN K  98
THR K 172
None
0.78A 2q63B-1mkxK:
undetectable
2q63B-1mkxK:
15.16
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.
1n76 LACTOFERRIN

(Homo sapiens)
PF00405
(Transferrin)
3 ASP A 555
ASN A 557
THR A 529
None
0.77A 2q63B-1n76A:
undetectable
2q63B-1n76A:
9.73
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.
1nxu HYPOTHETICAL
OXIDOREDUCTASE YIAK


(Escherichia
coli)
PF02615
(Ldh_2)
3 ASP A  60
ASN A 115
THR A 138
None
0.73A 2q63B-1nxuA:
undetectable
2q63B-1nxuA:
16.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o7l TRANSCRIPTIONAL
REGULATOR MODE


(Escherichia
coli)
PF00126
(HTH_1)
PF03459
(TOBE)
3 ASP A 200
ASN A 201
THR A 248
None
0.80A 2q63B-1o7lA:
undetectable
2q63B-1o7lA:
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.
1qgr PROTEIN (IMPORTIN
BETA SUBUNIT)


(Homo sapiens)
PF03810
(IBN_N)
PF13513
(HEAT_EZ)
3 ASP A 288
ASN A 285
THR A 264
None
0.81A 2q63B-1qgrA:
undetectable
2q63B-1qgrA:
7.30
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.
1qhm PYRUVATE
FORMATE-LYASE


(Escherichia
coli)
PF02901
(PFL-like)
3 ASP A1403
ASN A1401
THR A1372
None
0.63A 2q63B-1qhmA:
undetectable
2q63B-1qhmA:
11.79
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.
1rrc POLYNUCLEOTIDE
KINASE


(Escherichia
virus T4)
PF13671
(AAA_33)
3 ASP A  35
ASN A  33
THR A  67
None
0.80A 2q63B-1rrcA:
undetectable
2q63B-1rrcA:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1


(Saccharomyces
cerevisiae)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N)
3 ASP A 156
ASN A 247
THR A 255
None
0.69A 2q63B-1ry2A:
undetectable
2q63B-1ry2A:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t9h PROBABLE GTPASE ENGC

(Bacillus
subtilis)
PF03193
(RsgA_GTPase)
PF16745
(RsgA_N)
3 ASP A 153
ASN A 182
THR A 214
None
0.77A 2q63B-1t9hA:
undetectable
2q63B-1t9hA:
13.71
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.
1txu RAB5 GDP/GTP
EXCHANGE FACTOR


(Homo sapiens)
PF02204
(VPS9)
3 ASP A 260
ASN A 258
THR A 318
ASP  A 260 ( 0.5A)
ASN  A 258 ( 0.6A)
THR  A 318 ( 0.8A)
0.70A 2q63B-1txuA:
undetectable
2q63B-1txuA:
18.85
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.
1uun MSPA

(Mycolicibacterium
smegmatis)
PF09203
(MspA)
3 ASP A   3
ASN A   4
THR A  17
None
0.53A 2q63B-1uunA:
undetectable
2q63B-1uunA:
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens)
PF00704
(Glyco_hydro_18)
3 ASP A 330
ASN A 331
THR A 222
None
0.75A 2q63B-1wb0A:
undetectable
2q63B-1wb0A:
12.18
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.
1y3n ALGQ1

(Sphingomonas
sp. A1)
PF01547
(SBP_bac_1)
3 ASP A 187
ASN A 185
THR A 258
MAV  A 495 ( 4.4A)
None
None
0.68A 2q63B-1y3nA:
undetectable
2q63B-1y3nA:
11.79
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.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT


(Desulfovibrio
gigas)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C)
3 ASP A 256
ASN A 253
THR A 114
None
0.77A 2q63B-1yq9A:
undetectable
2q63B-1yq9A:
17.83
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.
1z2k NATURAL KILLER CELL
RECEPTOR 2B4


(Mus musculus)
PF11465
(Receptor_2B4)
3 ASP A  52
ASN A  51
THR A  92
None
0.69A 2q63B-1z2kA:
undetectable
2q63B-1z2kA:
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.
2b39 C3

(Bos taurus)
PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
3 ASP A1484
ASN A1482
THR A1268
None
0.72A 2q63B-2b39A:
undetectable
2q63B-2b39A:
4.32
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.
2f6k METAL-DEPENDENT
HYDROLASE


(Lactobacillus
plantarum)
PF04909
(Amidohydro_2)
3 ASP A  46
ASN A  47
THR A   8
None
0.58A 2q63B-2f6kA:
undetectable
2q63B-2f6kA:
15.83
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.
2f8m RIBOSE 5-PHOSPHATE
ISOMERASE


(Plasmodium
falciparum)
PF06026
(Rib_5-P_isom_A)
3 ASP A 176
ASN A 177
THR A 142
None
0.52A 2q63B-2f8mA:
undetectable
2q63B-2f8mA:
15.77
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.
2grv LPQW

(Mycolicibacterium
smegmatis)
PF00496
(SBP_bac_5)
3 ASP A  47
ASN A  52
THR A 277
None
0.75A 2q63B-2grvA:
undetectable
2q63B-2grvA:
10.40
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.
2jft SER-THR PHOSPHATASE
MSPP


(Mycolicibacterium
smegmatis)
PF13672
(PP2C_2)
3 ASP A 168
ASN A 108
THR A  89
None
0.76A 2q63B-2jftA:
undetectable
2q63B-2jftA:
17.52
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.
2kkd RUBREDOXIN

(Desulfovibrio
vulgaris)
PF00301
(Rubredoxin)
3 ASP A  21
ASN A  22
THR A  28
None
0.79A 2q63B-2kkdA:
undetectable
2q63B-2kkdA:
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.
2nvv ACETYL-COA
HYDROLASE/TRANSFERAS
E FAMILY PROTEIN


(Porphyromonas
gingivalis)
PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C)
3 ASP A 473
ASN A 471
THR A 468
ASP  A 473 ( 0.5A)
ASN  A 471 ( 0.6A)
THR  A 468 ( 0.8A)
0.78A 2q63B-2nvvA:
undetectable
2q63B-2nvvA:
12.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o1e YCDH

(Bacillus
subtilis)
PF01297
(ZnuA)
3 ASP A 153
ASN A 154
THR A 144
None
0.72A 2q63B-2o1eA:
undetectable
2q63B-2o1eA:
14.72
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.
2qfq 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Escherichia
coli)
PF00275
(EPSP_synthase)
3 ASP A  49
ASN A  26
THR A 174
FMT  A 602 ( 4.6A)
None
S3P  A 701 ( 4.8A)
0.69A 2q63B-2qfqA:
undetectable
2q63B-2qfqA:
14.10
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.
2qxt LIPASE

(Bacillus
subtilis)
PF01674
(Lipase_2)
3 ASP A  43
ASN A  51
THR A 109
None
0.77A 2q63B-2qxtA:
undetectable
2q63B-2qxtA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rhq PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN


(Staphylococcus
haemolyticus)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5)
3 ASP B 678
ASN B 679
THR B 605
None
0.69A 2q63B-2rhqB:
undetectable
2q63B-2rhqB:
8.87
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)


(Saccharomyces
cerevisiae)
PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT)
3 ASP G1646
ASN G1644
THR G1580
None
0.72A 2q63B-2uv8G:
undetectable
2q63B-2uv8G:
4.37
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.
2v9u MSPA

(Mycolicibacterium
smegmatis)
PF09203
(MspA)
3 ASP A   3
ASN A   4
THR A  17
ASP  A   3 ( 0.6A)
ASN  A   4 ( 0.6A)
THR  A  17 ( 0.8A)
0.49A 2q63B-2v9uA:
undetectable
2q63B-2v9uA:
24.09
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN


(Azospirillum
brasilense)
PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central)
3 ASP A 993
ASN A 991
THR A1244
None
0.77A 2q63B-2vdcA:
undetectable
2q63B-2vdcA:
5.48
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.
2vr3 CLUMPING FACTOR A

(Staphylococcus
aureus)
PF10425
(SdrG_C_C)
3 ASP A 312
ASN A 314
THR A 233
None
0.76A 2q63B-2vr3A:
undetectable
2q63B-2vr3A:
14.55
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus)
PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2)
3 ASP A 701
ASN A 700
THR A 595
None
0.59A 2q63B-2vsaA:
undetectable
2q63B-2vsaA:
8.54
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.
2w2d BOTULINUM NEUROTOXIN
A HEAVY CHAIN


(Clostridium
botulinum)
PF07952
(Toxin_trans)
3 ASP B 469
ASN B 470
THR B 715
None
0.79A 2q63B-2w2dB:
undetectable
2q63B-2w2dB:
12.71
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.
2w2i 2-OXOGLUTARATE
OXYGENASE


(Homo sapiens)
PF02373
(JmjC)
PF02375
(JmjN)
3 ASP A 117
ASN A 114
THR A 262
None
0.81A 2q63B-2w2iA:
undetectable
2q63B-2w2iA:
14.89
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.
2w5f ENDO-1,4-BETA-XYLANA
SE Y


(Ruminiclostridium
thermocellum)
PF00331
(Glyco_hydro_10)
PF02018
(CBM_4_9)
3 ASP A 333
ASN A 336
THR A 284
None
XYP  A1001 (-2.9A)
None
0.80A 2q63B-2w5fA:
undetectable
2q63B-2w5fA:
10.46
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.
2wiu HTH-TYPE
TRANSCRIPTIONAL
REGULATOR HIPB


(Escherichia
coli)
PF01381
(HTH_3)
3 ASP B  50
ASN B  51
THR B  41
None
0.75A 2q63B-2wiuB:
undetectable
2q63B-2wiuB:
20.87
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.
2wmh FUCOLECTIN-RELATED
PROTEIN


(Streptococcus
pneumoniae)
PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C)
3 ASP A 533
ASN A 582
THR A 563
None
0.80A 2q63B-2wmhA:
undetectable
2q63B-2wmhA:
10.57
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.
2wrz L-ARABINOSE-BINDING
PERIPLASMIC PROTEIN


(Escherichia
coli)
PF00532
(Peripla_BP_1)
3 ASP A  89
ASN A  90
THR A  46
None
0.71A 2q63B-2wrzA:
undetectable
2q63B-2wrzA:
17.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1


(Gracilariopsis
lemaneiformis)
PF01055
(Glyco_hydro_31)
3 ASP A 553
ASN A 459
THR A 375
QPS  A1050 (-3.1A)
QPS  A1050 (-3.9A)
None
0.69A 2q63B-2x2iA:
undetectable
2q63B-2x2iA:
7.71
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.
2x9p PIMD PROTEIN

(Streptomyces
natalensis)
PF00067
(p450)
3 ASP A 244
ASN A 245
THR A 338
None
None
HEM  A1398 (-4.9A)
0.71A 2q63B-2x9pA:
undetectable
2q63B-2x9pA:
15.56
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.
2xhe UNC18

(Monosiga
brevicollis)
PF00995
(Sec1)
3 ASP A 427
ASN A 424
THR A 417
None
0.69A 2q63B-2xheA:
undetectable
2q63B-2xheA:
9.24
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.
2xvg ALPHA XYLOSIDASE

(Cellvibrio
japonicus)
PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF17137
(DUF5110)
3 ASP A 465
ASN A 466
THR A 686
None
0.72A 2q63B-2xvgA:
undetectable
2q63B-2xvgA:
7.34
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.
2y35 LD22664P

(Drosophila
melanogaster)
PF03159
(XRN_N)
3 ASP A  30
ASN A  31
THR A 215
None
0.53A 2q63B-2y35A:
undetectable
2q63B-2y35A:
7.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z8z LIPASE

(Pseudomonas sp.
MIS38)
PF00353
(HemolysinCabind)
3 ASP A 283
ASN A 284
THR A 334
CA  A 619 ( 3.1A)
CA  A 618 (-3.3A)
None
0.69A 2q63B-2z8zA:
undetectable
2q63B-2z8zA:
9.87
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.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN


(Thermosynechococcus
vulcanus)
PF00421
(PSII)
3 ASP B  15
ASN B  14
THR B 128
None
0.71A 2q63B-3a0hB:
undetectable
2q63B-3a0hB:
13.32
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.
3a3c MALTOSE-BINDING
PERIPLASMIC PROTEIN,
LINKER,
MITOCHONDRIAL
INTERMEMBRANE SPACE
IMPORT AND ASSEMBLY
PROTEIN 40


(Escherichia
coli;
Saccharomyces
cerevisiae;
synthetic
construct)
PF06747
(CHCH)
PF13416
(SBP_bac_8)
3 ASP A 120
ASN A 118
THR A 245
None
0.74A 2q63B-3a3cA:
undetectable
2q63B-3a3cA:
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.
3a52 COLD-ACTIVE ALKALINE
PHOSPHATASE


(Shewanella sp.
AP1)
PF00245
(Alk_phosphatase)
3 ASP A  27
ASN A  25
THR A 287
None
0.67A 2q63B-3a52A:
undetectable
2q63B-3a52A:
13.99
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.
3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE


(Bifidobacterium
breve)
PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N)
3 ASP A 790
ASN A 791
THR A 799
None
0.76A 2q63B-3ahiA:
undetectable
2q63B-3ahiA:
8.75
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.
3ai7 XYLULOSE-5-PHOSPHATE
/FRUCTOSE-6-PHOSPHAT
E PHOSPHOKETOLASE


(Bifidobacterium
longum)
PF03894
(XFP)
PF09363
(XFP_C)
PF09364
(XFP_N)
3 ASP A 790
ASN A 791
THR A 799
None
0.75A 2q63B-3ai7A:
undetectable
2q63B-3ai7A:
8.37
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.
3aoe GLUTAMATE
DEHYDROGENASE


(Thermus
thermophilus)
PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N)
3 ASP A 346
ASN A 350
THR A 355
None
0.71A 2q63B-3aoeA:
undetectable
2q63B-3aoeA:
13.10
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.
3ayn RHODOPSIN

(Todarodes
pacificus)
PF00001
(7tm_1)
3 ASP A  80
ASN A  52
THR A  60
None
None
PLM  A1001 ( 4.6A)
0.63A 2q63B-3aynA:
undetectable
2q63B-3aynA:
17.21
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN


(Escherichia
coli)
PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C)
3 ASP B 162
ASN B 163
THR B 399
None
0.69A 2q63B-3egwB:
undetectable
2q63B-3egwB:
11.67
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.
3emq ENDO-1,4-BETA-XYLANA
SE


(Paenibacillus
barcinonensis)
PF00331
(Glyco_hydro_10)
3 ASP A 130
ASN A 133
THR A  89
None
HAH  A1000 (-3.4A)
None
0.80A 2q63B-3emqA:
undetectable
2q63B-3emqA:
16.23
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN


(Geobacillus
kaustophilus)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6)
3 ASP A1092
ASN A1093
THR A1083
None
0.67A 2q63B-3f2bA:
undetectable
2q63B-3f2bA:
7.25
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.
3f5c NUCLEAR RECEPTOR
SUBFAMILY 0 GROUP B
MEMBER 1


(Mus musculus)
PF00104
(Hormone_recep)
3 ASP B 392
ASN B 390
THR B 409
None
0.78A 2q63B-3f5cB:
undetectable
2q63B-3f5cB:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1


(Escherichia
coli;
Gallus gallus)
PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8)
3 ASP A 120
ASN A 118
THR A 245
None
0.77A 2q63B-3f5fA:
undetectable
2q63B-3f5fA:
9.97
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.
3foa TAIL SHEATH PROTEIN
GP18


(Escherichia
virus T4)
PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
3 ASP A 438
ASN A 439
THR A 413
None
0.51A 2q63B-3foaA:
undetectable
2q63B-3foaA:
11.67
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.
3fqd 5'-3'
EXORIBONUCLEASE 2


(Schizosaccharomyces
pombe)
PF03159
(XRN_N)
3 ASP A  50
ASN A  51
THR A 245
None
0.62A 2q63B-3fqdA:
undetectable
2q63B-3fqdA:
8.20
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.
3gk3 ACETOACETYL-COA
REDUCTASE


(Burkholderia
pseudomallei)
PF13561
(adh_short_C2)
3 ASP A 115
ASN A 119
THR A  10
None
0.72A 2q63B-3gk3A:
undetectable
2q63B-3gk3A:
16.98
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.
3hrp UNCHARACTERIZED
PROTEIN


(Bacteroides
thetaiotaomicron)
PF01833
(TIG)
3 ASP A 145
ASN A 183
THR A 164
None
0.75A 2q63B-3hrpA:
undetectable
2q63B-3hrpA:
13.98
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.
3ilw DNA GYRASE SUBUNIT A

(Mycobacterium
tuberculosis)
PF00521
(DNA_topoisoIV)
3 ASP A 281
ASN A 279
THR A 230
None
0.80A 2q63B-3ilwA:
undetectable
2q63B-3ilwA:
14.29
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.
3in1 UNCHARACTERIZED
SUGAR KINASE YDJH


(Escherichia
coli)
PF00294
(PfkB)
3 ASP A  43
ASN A  46
THR A 286
None
0.80A 2q63B-3in1A:
undetectable
2q63B-3in1A:
14.20
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.
3j2n TAIL SHEATH PROTEIN
GP18


(Escherichia
virus T4)
PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C)
3 ASP U 438
ASN U 439
THR U 413
None
0.50A 2q63B-3j2nU:
undetectable
2q63B-3j2nU:
10.68
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.
3jb9 PRE-MRNA-SPLICING
FACTOR SPP42


(Schizosaccharomyces
pombe)
PF08082
(PRO8NT)
PF08083
(PROCN)
PF10596
(U6-snRNA_bdg)
PF10597
(U5_2-snRNA_bdg)
PF10598
(RRM_4)
PF12134
(PRP8_domainIV)
3 ASP A 895
ASN A 896
THR A 859
None
0.76A 2q63B-3jb9A:
undetectable
2q63B-3jb9A:
4.08
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.
3jbh MYOSIN 2 HEAVY CHAIN
STRIATED MUSCLE


(Aphonopelma)
PF00063
(Myosin_head)
PF01576
(Myosin_tail_1)
PF02736
(Myosin_N)
3 ASP A 236
ASN A 237
THR A 180
None
0.57A 2q63B-3jbhA:
undetectable
2q63B-3jbhA:
3.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k4z GLYCOSIDE HYDROLASE
FAMILY 9


(Ruminiclostridium
thermocellum)
PF02018
(CBM_4_9)
PF02927
(CelD_N)
3 ASP A 241
ASN A 208
THR A 264
None
0.74A 2q63B-3k4zA:
undetectable
2q63B-3k4zA:
17.23
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.
3l2j FUSION PROTEIN OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND PARATHYROID
HORMONE/PARATHYROID
HORMONE-RELATED
PEPTIDE RECEPTOR


(Escherichia
coli;
Homo sapiens)
PF02793
(HRM)
PF13416
(SBP_bac_8)
3 ASP A-224
ASN A-226
THR A -99
None
0.80A 2q63B-3l2jA:
undetectable
2q63B-3l2jA:
10.77
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.
3la4 UREASE

(Canavalia
ensiformis)
PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1)
3 ASP A 374
ASN A 372
THR A 389
None
0.71A 2q63B-3la4A:
undetectable
2q63B-3la4A:
8.72
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.
3m1h LYSINE SPECIFIC
CYSTEINE PROTEASE


(Porphyromonas
gingivalis)
PF07675
(Cleaved_Adhesin)
3 ASP A1531
ASN A1534
THR A1576
NA  A2004 ( 4.4A)
None
None
0.69A 2q63B-3m1hA:
undetectable
2q63B-3m1hA:
20.81
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.
3m1t PUTATIVE
PHOSPHOHYDROLASE


(Shewanella
amazonensis)
PF08668
(HDOD)
3 ASP A  31
ASN A  29
THR A 191
None
0.63A 2q63B-3m1tA:
undetectable
2q63B-3m1tA:
16.67
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.
3msg INTRA-CELLULAR
XYLANASE IXT6


(Geobacillus
stearothermophilus)
PF00331
(Glyco_hydro_10)
3 ASP A 130
ASN A 133
THR A  89
None
XYP  A 450 (-3.3A)
None
0.77A 2q63B-3msgA:
undetectable
2q63B-3msgA:
15.31
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.
3nvs 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE


(Vibrio cholerae)
PF00275
(EPSP_synthase)
3 ASP A  49
ASN A  26
THR A 175
GPJ  A 429 ( 4.7A)
None
S3P  A 427 ( 4.6A)
0.67A 2q63B-3nvsA:
undetectable
2q63B-3nvsA:
11.26
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.
3oam 3-DEOXY-MANNO-OCTULO
SONATE
CYTIDYLYLTRANSFERASE


(Vibrio cholerae)
PF02348
(CTP_transf_3)
3 ASP A 165
ASN A 166
THR A 159
None
0.78A 2q63B-3oamA:
undetectable
2q63B-3oamA:
17.87
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)


(Kluyveromyces
lactis)
PF03159
(XRN_N)
3 ASP A  30
ASN A  31
THR A 216
None
0.72A 2q63B-3pieA:
undetectable
2q63B-3pieA:
6.53
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.
3poh ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE F1


(Bacteroides
thetaiotaomicron)
PF08522
(DUF1735)
3 ASP A 312
ASN A 310
THR A 341
None
0.81A 2q63B-3pohA:
undetectable
2q63B-3pohA:
9.07
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.
3qgk UREASE SUBUNIT BETA
2


(Helicobacter
mustelae)
PF00449
(Urease_alpha)
PF01979
(Amidohydro_1)
3 ASP C 102
ASN C 100
THR C 117
None
0.79A 2q63B-3qgkC:
undetectable
2q63B-3qgkC:
11.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r3g THROMBIN HEAVY CHAIN

(Homo sapiens)
PF00089
(Trypsin)
3 ASP B 100
ASN B  98
THR B 172
None
0.75A 2q63B-3r3gB:
undetectable
2q63B-3r3gB:
18.30
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.
3suk CERATO-PLATANIN-LIKE
PROTEIN


(Moniliophthora
perniciosa)
PF07249
(Cerato-platanin)
3 ASP A  28
ASN A  29
THR A  36
None
0.73A 2q63B-3sukA:
2.2
2q63B-3sukA:
17.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uhl PROTEASE

(Human
immunodeficiency
virus 1)
PF00077
(RVP)
3 ASP A  29
ASN A  30
THR A  80
None
0.43A 2q63B-3uhlA:
16.3
2q63B-3uhlA:
78.79
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.
3uid PUTATIVE
UNCHARACTERIZED
PROTEIN


(Mycolicibacterium
smegmatis)
PF08327
(AHSA1)
3 ASP A  99
ASN A 101
THR A 104
None
0.81A 2q63B-3uidA:
undetectable
2q63B-3uidA:
18.40
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.
3v8d CHOLESTEROL
7-ALPHA-MONOOXYGENAS
E


(Homo sapiens)
PF00067
(p450)
3 ASP A 118
ASN A 120
THR A 278
None
None
0GV  A 602 ( 4.3A)
0.67A 2q63B-3v8dA:
undetectable
2q63B-3v8dA:
11.43
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.
3vrh PUTATIVE
UNCHARACTERIZED
PROTEIN PH0300


(Pyrococcus
horikoshii)
PF01171
(ATP_bind_3)
3 ASP A 158
ASN A 156
THR A  37
None
0.79A 2q63B-3vrhA:
undetectable
2q63B-3vrhA:
16.39
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.
3wdy BETA-1,3-1,4-GLUCANA
SE


(Paecilomyces
sp.
'thermophila')
no annotation 3 ASP A 276
ASN A 277
THR A  96
None
0.71A 2q63B-3wdyA:
undetectable
2q63B-3wdyA:
15.08
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.
3whe HEMAGGLUTININ

(Influenza A
virus)
PF00509
(Hemagglutinin)
3 ASP A 172
ASN A 170
THR A 167
None
None
NAG  A 609 (-3.4A)
0.75A 2q63B-3wheA:
undetectable
2q63B-3wheA:
11.97
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.
3zus BOTULINUM NEUROTOXIN
TYPE A,
SYNAPTOSOMAL-ASSOCIA
TED PROTEIN 23


(Clostridium
botulinum;
Homo sapiens)
PF01742
(Peptidase_M27)
PF07952
(Toxin_trans)
3 ASP A 519
ASN A 520
THR A 765
None
0.72A 2q63B-3zusA:
undetectable
2q63B-3zusA:
7.67
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.
4aez MITOTIC SPINDLE
CHECKPOINT COMPONENT
MAD3


(Schizosaccharomyces
pombe)
PF08311
(Mad3_BUB1_I)
3 ASP C  84
ASN C  85
THR C  91
None
0.73A 2q63B-4aezC:
undetectable
2q63B-4aezC:
17.24