SIMILAR PATTERNS OF AMINO ACIDS FOR 4QYQ_B_3CJB607

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.
1a8q BROMOPEROXIDASE A1

(Kitasatospora
aureofaciens)
PF00561
(Abhydrolase_1)
3 GLN A 187
HIS A  57
ARG A  54
None
1.22A 4qyqB-1a8qA:
undetectable
4qyqB-1a8qA:
17.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1d7w MYELOPEROXIDASE

(Homo sapiens)
PF03098
(An_peroxidase)
3 GLN A  91
HIS A  95
ARG C 239
HEM  A 605 ( 3.4A)
CYN  A1844 (-4.1A)
HEM  A 605 (-4.3A)
0.31A 4qyqB-1d7wA:
undetectable
4qyqB-1d7wA:
38.17
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.
1ggv DIENELACTONE
HYDROLASE


(Pseudomonas
putida)
PF01738
(DLH)
3 GLN A 193
HIS A 195
ARG A 223
None
0.69A 4qyqB-1ggvA:
undetectable
4qyqB-1ggvA:
15.51
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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
ALPHA SUBUNIT


(Saccharomyces
cerevisiae)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
3 GLN A 395
HIS A 399
ARG A 401
None
1.25A 4qyqB-1hr7A:
undetectable
4qyqB-1hr7A:
21.68
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.
1jd0 CARBONIC ANHYDRASE
XII


(Homo sapiens)
PF00194
(Carb_anhydrase)
3 GLN A  50
HIS A  78
ARG A  87
None
0.97A 4qyqB-1jd0A:
undetectable
4qyqB-1jd0A:
17.22
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.
1kyi ATP-DEPENDENT HSL
PROTEASE ATP-BINDING
SUBUNIT HSLU


(Haemophilus
influenzae)
PF00004
(AAA)
PF07724
(AAA_2)
PF10431
(ClpB_D2-small)
3 GLN A  15
HIS A  16
ARG A  69
None
1.18A 4qyqB-1kyiA:
0.0
4qyqB-1kyiA:
21.67
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.
1llu ALCOHOL
DEHYDROGENASE


(Pseudomonas
aeruginosa)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 GLN A 172
HIS A 238
ARG A 258
None
0.96A 4qyqB-1lluA:
undetectable
4qyqB-1lluA:
18.09
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN


(Oligotropha
carboxidovorans)
PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2)
3 GLN B 790
HIS B 788
ARG B 401
None
1.22A 4qyqB-1n60B:
0.0
4qyqB-1n60B:
22.21
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.
1skx ORPHAN NUCLEAR
RECEPTOR PXR


(Homo sapiens)
PF00104
(Hormone_recep)
3 GLN A 383
HIS A 386
ARG A 381
None
1.18A 4qyqB-1skxA:
0.0
4qyqB-1skxA:
19.04
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.
1sv6 2-KETO-4-PENTENOATE
HYDRATASE


(Escherichia
coli)
PF01557
(FAA_hydrolase)
3 GLN A  52
HIS A  48
ARG A  14
None
1.21A 4qyqB-1sv6A:
undetectable
4qyqB-1sv6A:
19.97
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.
1u0k GENE PRODUCT PA4716

(Pseudomonas
aeruginosa)
PF02567
(PhzC-PhzF)
3 GLN A  94
HIS A  85
ARG A 111
None
1.07A 4qyqB-1u0kA:
undetectable
4qyqB-1u0kA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wxl SINGLE-STRAND
RECOGNITION PROTEIN


(Drosophila
melanogaster)
PF00505
(HMG_box)
3 GLN A  61
HIS A  64
ARG A  68
None
1.22A 4qyqB-1wxlA:
undetectable
4qyqB-1wxlA:
8.46
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.
1wzo HPCE

(Thermus
thermophilus)
PF01557
(FAA_hydrolase)
3 GLN A 221
HIS A  95
ARG A 132
None
0.80A 4qyqB-1wzoA:
undetectable
4qyqB-1wzoA:
17.00
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.
1yhu GIANT HEMOGLOBINS B
CHAIN
HEMOGLOBIN B2 CHAIN


(Riftia
pachyptila)
PF00042
(Globin)
3 GLN B  95
HIS B  91
ARG D  69
HEM  B 160 ( 3.7A)
HEM  D 160 (-3.9A)
None
1.15A 4qyqB-1yhuB:
undetectable
4qyqB-1yhuB:
12.27
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.
1yhu GIANT HEMOGLOBINS B
CHAIN
HEMOGLOBIN B2 CHAIN


(Riftia
pachyptila)
PF00042
(Globin)
3 GLN D  97
HIS D  93
ARG B  67
HEM  D 160 ( 3.4A)
HEM  B 160 (-4.1A)
None
1.14A 4qyqB-1yhuD:
undetectable
4qyqB-1yhuD:
14.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yhu HEMOGLOBIN A1 CHAIN
HEMOGLOBIN B1A CHAIN


(Riftia
pachyptila)
PF00042
(Globin)
3 GLN A  95
HIS A  91
ARG C  70
HEM  A 160 ( 3.3A)
HEM  C 160 (-4.1A)
None
1.21A 4qyqB-1yhuA:
undetectable
4qyqB-1yhuA:
12.35
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.
1yhu HEMOGLOBIN A1 CHAIN
HEMOGLOBIN B1A CHAIN


(Riftia
pachyptila)
PF00042
(Globin)
3 GLN C  98
HIS C  94
ARG A  67
HEM  A 160 ( 3.4A)
HEM  A 160 (-3.8A)
None
1.15A 4qyqB-1yhuC:
undetectable
4qyqB-1yhuC:
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.
1z6o FERRITIN HEAVY CHAIN

(Trichoplusia ni)
PF00210
(Ferritin)
3 GLN M  38
HIS M 111
ARG M  99
None
1.25A 4qyqB-1z6oM:
undetectable
4qyqB-1z6oM:
16.07
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.
2d2n GIANT HEMOGLOBIN,
A2(A5) GLOBIN CHAIN
GIANT HEMOGLOBIN,
B2(C) GLOBIN CHAIN


(Oligobrachia
mashikoi)
PF00042
(Globin)
3 GLN C  97
HIS C  93
ARG B  65
HEM  C 200 ( 3.5A)
HEM  B 200 (-4.2A)
HEM  B 200 (-4.0A)
1.20A 4qyqB-2d2nC:
undetectable
4qyqB-2d2nC:
13.50
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.
2f5v PYRANOSE 2-OXIDASE

(Peniophora sp.
SG)
PF05199
(GMC_oxred_C)
3 GLN A 440
HIS A 443
ARG A 234
None
1.07A 4qyqB-2f5vA:
undetectable
4qyqB-2f5vA:
22.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2gjm LACTOPEROXIDASE

(Bubalus bubalis)
PF03098
(An_peroxidase)
3 GLN A  91
HIS A  95
ARG A 239
HEM  A 605 (-3.4A)
SCN  A1502 ( 4.8A)
HEM  A 605 (-4.7A)
0.30A 4qyqB-2gjmA:
58.9
4qyqB-2gjmA:
95.54
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.
2i4s GENERAL SECRETION
PATHWAY PROTEIN C


(Vibrio cholerae)
no annotation 3 GLN A 297
HIS A 299
ARG A 294
None
1.13A 4qyqB-2i4sA:
undetectable
4qyqB-2i4sA:
11.93
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans)
PF14498
(Glyco_hyd_65N_2)
3 GLN A 699
HIS A 698
ARG A 637
None
0.93A 4qyqB-2rdyA:
undetectable
4qyqB-2rdyA:
21.51
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.
2tnf PROTEIN (TUMOR
NECROSIS FACTOR
ALPHA)


(Mus musculus)
PF00229
(TNF)
3 GLN A  21
HIS A  20
ARG A  32
None
1.16A 4qyqB-2tnfA:
undetectable
4qyqB-2tnfA:
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.
2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]


(Homo sapiens)
PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase)
3 GLN A 632
HIS A 619
ARG A 622
None
1.10A 4qyqB-2vxoA:
undetectable
4qyqB-2vxoA:
22.94
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.
2wok CLAVULANIC ACID
BIOSYNTHESIS
OLIGOPEPTIDE BINDING
PROTEIN 2


(Streptomyces
clavuligerus)
PF00496
(SBP_bac_5)
3 GLN A 310
HIS A 312
ARG A 442
None
1.15A 4qyqB-2wokA:
undetectable
4qyqB-2wokA:
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.
2ww2 ALPHA-1,2-MANNOSIDAS
E


(Bacteroides
thetaiotaomicron)
PF07971
(Glyco_hydro_92)
3 GLN A  87
HIS A  89
ARG A 320
None
0.99A 4qyqB-2ww2A:
0.0
4qyqB-2ww2A:
21.72
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E


(Bacteroides
thetaiotaomicron)
PF07971
(Glyco_hydro_92)
3 GLN A  81
HIS A  83
ARG A 314
None
1.01A 4qyqB-2wzsA:
undetectable
4qyqB-2wzsA:
22.10
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.
2yew E1 ENVELOPE
GLYCOPROTEIN
E2 ENVELOPE
GLYCOPROTEIN


(Barmah Forest
virus)
PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop)
3 GLN C 306
HIS C 304
ARG B 253
None
1.09A 4qyqB-2yewC:
undetectable
4qyqB-2yewC:
19.74
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE


(Bifidobacterium
longum)
PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C)
3 GLN A 862
HIS A 861
ARG A 618
None
1.22A 4qyqB-2zxqA:
undetectable
4qyqB-2zxqA:
18.27
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.
3azq AMINOPEPTIDASE

(Streptomyces
morookaense)
PF00326
(Peptidase_S9)
3 GLN A 279
HIS A 268
ARG A 261
None
None
SO4  A1003 (-3.8A)
1.04A 4qyqB-3azqA:
undetectable
4qyqB-3azqA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bdv UNCHARACTERIZED
PROTEIN DUF1234


(Pectobacterium
atrosepticum)
PF06821
(Ser_hydrolase)
3 GLN A  93
HIS A  89
ARG A 117
None
1.13A 4qyqB-3bdvA:
undetectable
4qyqB-3bdvA:
15.71
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.
3cew UNCHARACTERIZED
CUPIN PROTEIN


(Bacteroides
fragilis)
PF07883
(Cupin_2)
3 GLN A 100
HIS A  45
ARG A  84
ZN  A 201 ( 4.8A)
ZN  A 201 (-3.4A)
None
1.00A 4qyqB-3cewA:
undetectable
4qyqB-3cewA:
11.00
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.
3cmg PUTATIVE
BETA-GALACTOSIDASE


(Bacteroides
fragilis)
PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982)
3 GLN A 338
HIS A 339
ARG A 328
None
1.21A 4qyqB-3cmgA:
undetectable
4qyqB-3cmgA:
21.08
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.
3cql ENDOCHITINASE

(Carica papaya)
PF00182
(Glyco_hydro_19)
3 GLN A 211
HIS A  66
ARG A 215
None
NDG  A 244 (-3.9A)
NDG  A 244 (-4.4A)
1.26A 4qyqB-3cqlA:
undetectable
4qyqB-3cqlA:
17.31
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.
3ecq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE


(Streptococcus
pneumoniae)
PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C)
3 GLN A 836
HIS A 835
ARG A 594
None
1.12A 4qyqB-3ecqA:
undetectable
4qyqB-3ecqA:
16.75
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.
3gxo MMCR

(Streptomyces
lavendulae)
PF00891
(Methyltransf_2)
3 GLN A 114
HIS A  36
ARG A  33
None
1.07A 4qyqB-3gxoA:
undetectable
4qyqB-3gxoA:
22.06
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.
3hhr HUMAN GROWTH HORMONE
HUMAN GROWTH HORMONE
RECEPTOR (HGHBP)


(Homo sapiens)
PF00041
(fn3)
PF00103
(Hormone_1)
PF09067
(EpoR_lig-bind)
3 GLN A  22
HIS A  18
ARG B 217
None
1.20A 4qyqB-3hhrA:
undetectable
4qyqB-3hhrA:
15.49
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.
3hoa THERMOSTABLE
CARBOXYPEPTIDASE 1


(Thermus
thermophilus)
PF02074
(Peptidase_M32)
3 GLN A 308
HIS A 472
ARG A 468
None
1.01A 4qyqB-3hoaA:
undetectable
4qyqB-3hoaA:
22.17
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.
3i9v NADH-QUINONE
OXIDOREDUCTASE
SUBUNIT 3


(Thermus
thermophilus)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4)
PF10588
(NADH-G_4Fe-4S_3)
PF13510
(Fer2_4)
3 GLN 3 661
HIS 3 657
ARG 3 611
None
1.12A 4qyqB-3i9v3:
undetectable
4qyqB-3i9v3:
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.
3ibm CUPIN 2, CONSERVED
BARREL DOMAIN
PROTEIN


(Halorhodospira
halophila)
PF07883
(Cupin_2)
3 GLN A 111
HIS A 113
ARG A 154
None
0.99A 4qyqB-3ibmA:
undetectable
4qyqB-3ibmA:
13.23
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.
3p77 MHC RFP-Y CLASS I
ALPHA CHAIN


(Gallus gallus)
PF00129
(MHC_I)
PF07654
(C1-set)
3 GLN A  61
HIS A  57
ARG A 167
2PE  A 279 (-4.6A)
None
None
0.67A 4qyqB-3p77A:
undetectable
4qyqB-3p77A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP)
PF00945
(Rhabdo_ncap)
3 GLN A 302
HIS A 298
ARG A 317
None
0.74A 4qyqB-3pmkA:
undetectable
4qyqB-3pmkA:
21.78
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.
3q06 CELLULAR TUMOR
ANTIGEN P53


(Homo sapiens)
PF00870
(P53)
PF07710
(P53_tetramer)
3 GLN A 167
HIS A 168
ARG A 249
None
0.88A 4qyqB-3q06A:
undetectable
4qyqB-3q06A:
17.00
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.
3qsq CAPSID POLYPROTEIN

(Mamastrovirus 1)
PF12226
(Astro_capsid_p)
3 GLN A 534
HIS A 528
ARG A 618
None
1.01A 4qyqB-3qsqA:
undetectable
4qyqB-3qsqA:
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.
3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE


(Mycobacterium
avium)
PF02668
(TauD)
3 GLN A  50
HIS A  52
ARG A  22
None
0.94A 4qyqB-3r1jA:
undetectable
4qyqB-3r1jA:
20.98
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.
3s2g ZINC-CONTAINING
ALCOHOL
DEHYDROGENASE
SUPERFAMILY


(Cupriavidus
pinatubonensis)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 GLN A 170
HIS A 236
ARG A 256
None
0.99A 4qyqB-3s2gA:
undetectable
4qyqB-3s2gA:
20.76
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.
3sze SERINE PROTEASE ESPP

(Escherichia
coli)
PF02395
(Peptidase_S6)
3 GLN A 533
HIS A 535
ARG A 542
None
0.84A 4qyqB-3szeA:
undetectable
4qyqB-3szeA:
19.74
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.
3v7i PUTATIVE POLYKETIDE
SYNTHASE


(Streptomyces
coelicolor)
PF00195
(Chal_sti_synt_N)
3 GLN A 210
HIS A 271
ARG A 266
None
0.62A 4qyqB-3v7iA:
undetectable
4qyqB-3v7iA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w36 NAPH1

(Streptomyces
sp. CNQ525)
no annotation 3 GLN A 518
HIS A 514
ARG A 440
None
1.07A 4qyqB-3w36A:
undetectable
4qyqB-3w36A:
21.68
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.
3zmd PUTATIVE
TRANSCRIPTIONAL
REGULATOR


(Streptomyces
coelicolor)
PF12802
(MarR_2)
3 GLN A  31
HIS A 127
ARG A 126
None
1.18A 4qyqB-3zmdA:
undetectable
4qyqB-3zmdA:
15.63
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.
3zo9 TREHALOSE
SYNTHASE/AMYLASE
TRES


(Mycolicibacterium
smegmatis)
PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C)
3 GLN A 198
HIS A 197
ARG A  89
None
1.11A 4qyqB-3zo9A:
undetectable
4qyqB-3zo9A:
21.69
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.
4b6l SERINE/THREONINE-PRO
TEIN KINASE PLK3


(Homo sapiens)
PF00069
(Pkinase)
3 GLN A 168
HIS A 121
ARG A 120
None
0.65A 4qyqB-4b6lA:
undetectable
4qyqB-4b6lA:
20.90
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.
4b9y ALPHA-GLUCOSIDASE,
PUTATIVE, ADG31B


(Cellvibrio
japonicus)
PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16338
(DUF4968)
PF17137
(DUF5110)
3 GLN A 113
HIS A 100
ARG A 111
None
SO4  A1823 (-3.9A)
SO4  A1823 ( 4.6A)
1.19A 4qyqB-4b9yA:
undetectable
4qyqB-4b9yA:
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.
4e2s UREIDOGLYCINE
AMINOHYDROLASE


(Arabidopsis
thaliana)
PF07883
(Cupin_2)
3 GLN A 240
HIS A 101
ARG A 174
None
1.25A 4qyqB-4e2sA:
undetectable
4qyqB-4e2sA:
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.
4ebj AMINOGLYCOSIDE
NUCLEOTIDYLTRANSFERA
SE


(Pseudomonas
aeruginosa)
PF01909
(NTP_transf_2)
3 GLN A 176
HIS A 173
ARG A  30
None
SO4  A 303 (-3.9A)
None
1.12A 4qyqB-4ebjA:
undetectable
4qyqB-4ebjA:
18.34
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.
4f06 EXTRACELLULAR
LIGAND-BINDING
RECEPTOR


(Rhodopseudomonas
palustris)
PF13458
(Peripla_BP_6)
3 GLN A 145
HIS A 355
ARG A 138
None
1.07A 4qyqB-4f06A:
undetectable
4qyqB-4f06A:
22.10
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.
4fdj N-ACETYLGALACTOSAMIN
E-6-SULFATASE


(Homo sapiens)
PF00884
(Sulfatase)
PF14707
(Sulfatase_C)
3 GLN A 397
HIS A 443
ARG A 446
None
1.25A 4qyqB-4fdjA:
undetectable
4qyqB-4fdjA:
22.91
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.
4gkv ALCOHOL
DEHYDROGENASE,
PROPANOL-PREFERRING


(Escherichia
coli)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 GLN A 163
HIS A 230
ARG A 250
None
1.06A 4qyqB-4gkvA:
undetectable
4qyqB-4gkvA:
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.
4iiv 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE


(Escherichia
coli)
PF13561
(adh_short_C2)
3 GLN A  77
HIS A  78
ARG A  55
None
1.06A 4qyqB-4iivA:
undetectable
4qyqB-4iivA:
18.35
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.
4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE


(Mycolicibacterium
smegmatis)
PF02668
(TauD)
3 GLN A  49
HIS A  51
ARG A  21
None
0.88A 4qyqB-4j5iA:
undetectable
4qyqB-4j5iA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kvl FATTY ACID
ALPHA-OXIDASE


(Oryza sativa)
PF03098
(An_peroxidase)
3 GLN A 168
HIS A 189
ARG A 466
None
1.21A 4qyqB-4kvlA:
29.5
4qyqB-4kvlA:
22.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mck CHITINASE

(Zea mays)
PF00182
(Glyco_hydro_19)
3 GLN A 173
HIS A  61
ARG A 177
None
1.21A 4qyqB-4mckA:
undetectable
4qyqB-4mckA:
16.55
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.
4rdq BESTROPHIN-1

(Gallus gallus)
PF01062
(Bestrophin)
3 GLN A 327
HIS A 326
ARG A 125
None
0.84A 4qyqB-4rdqA:
undetectable
4qyqB-4rdqA:
20.53
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.
4u8u GLOBIN B CHAIN
GLOBIN C CHAIN


(Glossoscolex
paulistus)
PF00042
(Globin)
3 GLN B  94
HIS B  90
ARG C  71
HEM  B 201 ( 3.6A)
HEM  C 201 (-4.2A)
None
1.14A 4qyqB-4u8uB:
undetectable
4qyqB-4u8uB:
13.68
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.
4uqg DNA POLYMERASE

(Geobacillus
stearothermophilus)
PF00476
(DNA_pol_A)
3 GLN A 624
HIS A 829
ARG A 615
None
1.22A 4qyqB-4uqgA:
undetectable
4qyqB-4uqgA:
21.71
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.
4x9e DEOXYGUANOSINETRIPHO
SPHATE
TRIPHOSPHOHYDROLASE


(Escherichia
coli)
PF01966
(HD)
3 GLN A 138
HIS A 141
ARG A 154
None
0.96A 4qyqB-4x9eA:
undetectable
4qyqB-4x9eA:
21.72
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.
4z38 MLNA

(Bacillus
velezensis)
no annotation 3 GLN A 445
HIS A 457
ARG A 424
None
1.14A 4qyqB-4z38A:
undetectable
4qyqB-4z38A:
22.95
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.
5a55 ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE


(Streptococcus
pneumoniae)
PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C)
3 GLN A 836
HIS A 835
ARG A 594
None
1.18A 4qyqB-5a55A:
undetectable
4qyqB-5a55A:
20.69
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.
5b04 PROBABLE TRANSLATION
INITIATION FACTOR
EIF-2B SUBUNIT
EPSILON


(Schizosaccharomyces
pombe)
PF00132
(Hexapep)
PF00483
(NTP_transferase)
3 GLN I 185
HIS I 262
ARG I 146
None
0.61A 4qyqB-5b04I:
undetectable
4qyqB-5b04I:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME


(Homo sapiens)
PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48)
3 GLN A 566
HIS A 545
ARG A 565
None
1.18A 4qyqB-5clwA:
undetectable
4qyqB-5clwA:
20.46
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.
5d95 AMINOTRANSFERASE
CLASS-III


(Sphaerobacter
thermophilus)
PF00202
(Aminotran_3)
3 GLN A 366
HIS A 379
ARG A 381
None
1.12A 4qyqB-5d95A:
undetectable
4qyqB-5d95A:
23.59
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.
5dth MULTIPLE PDZ DOMAIN
PROTEIN


(Rattus
norvegicus)
PF00595
(PDZ)
3 GLN A1334
HIS A1336
ARG A1418
None
1.19A 4qyqB-5dthA:
undetectable
4qyqB-5dthA:
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.
5gqh ANTI-CRISPR PROTEIN
3


(Pseudomonas
phage JBD5)
no annotation 3 GLN B  52
HIS B  48
ARG B 134
None
0.97A 4qyqB-5gqhB:
undetectable
4qyqB-5gqhB:
13.78
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.
5h2t TREHALOSE SYNTHASE

(Thermomonospora
curvata)
no annotation 3 GLN A 185
HIS A 184
ARG A  76
None
1.07A 4qyqB-5h2tA:
undetectable
4qyqB-5h2tA:
23.81
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.
5hee PUTATIVE
UNCHARACTERIZED
PROTEIN, TK2203
PROTEIN


(Thermococcus
kodakarensis)
PF02900
(LigB)
3 GLN A  62
HIS A  63
ARG A 111
None
0.76A 4qyqB-5heeA:
undetectable
4qyqB-5heeA:
18.59
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.
5i5d INNER MEMBRANE
PROTEIN YEJM


(Salmonella
enterica)
PF00884
(Sulfatase)
PF11893
(DUF3413)
3 GLN A 575
HIS A 525
ARG A 524
None
1.21A 4qyqB-5i5dA:
undetectable
4qyqB-5i5dA:
22.33
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA
NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT BETA


(Pyrococcus
furiosus)
PF07992
(Pyr_redox_2)
PF10418
(DHODB_Fe-S_bind)
PF14691
(Fer4_20)
3 GLN L 188
HIS L 187
ARG S  50
None
0.81A 4qyqB-5jfcL:
undetectable
4qyqB-5jfcL:
22.35
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.
5jgp NITRATE/NITRITE
SENSOR PROTEIN NARQ


(Escherichia
coli)
PF00672
(HAMP)
PF13675
(PilJ)
3 GLN A  66
HIS A  70
ARG A  55
None
1.01A 4qyqB-5jgpA:
undetectable
4qyqB-5jgpA:
19.01
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.
5jm7 AEROBACTIN SYNTHASE
IUCA


(Klebsiella
pneumoniae)
PF04183
(IucA_IucC)
PF06276
(FhuF)
3 GLN A 393
HIS A 397
ARG A 510
None
1.13A 4qyqB-5jm7A:
0.0
4qyqB-5jm7A:
23.05
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.
5kdi PLECKSTRIN HOMOLOGY
DOMAIN-CONTAINING
FAMILY A MEMBER 8


(Homo sapiens)
no annotation 3 GLN A 443
HIS A 444
ARG A 410
None
0.86A 4qyqB-5kdiA:
undetectable
4qyqB-5kdiA:
9.34
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.
5m30 TYPE VI SECRETION
PROTEIN


(Escherichia
coli)
PF05936
(T6SS_VasE)
3 GLN A 157
HIS A 156
ARG A  94
None
0.98A 4qyqB-5m30A:
undetectable
4qyqB-5m30A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m3l EXTRACELLULAR
GLOBIN-2
EXTRACELLULAR
GLOBIN-3


(Lumbricus
terrestris)
PF00042
(Globin)
3 GLN B  95
HIS B  91
ARG C  73
HEM  B 201 ( 4.5A)
HEM  C 201 (-3.5A)
HEM  C 201 (-3.7A)
1.00A 4qyqB-5m3lB:
undetectable
4qyqB-5m3lB:
15.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5mfa MYELOPEROXIDASE

(Homo sapiens)
PF03098
(An_peroxidase)
3 GLN A 257
HIS A 261
ARG A 405
HEM  A 812 (-3.3A)
None
HEM  A 812 (-3.7A)
0.30A 4qyqB-5mfaA:
53.6
4qyqB-5mfaA:
49.64
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.
5mm2 CAPSID PROTEIN VP4C

(Nora virus)
no annotation 3 GLN A 233
HIS A 339
ARG A 337
None
1.08A 4qyqB-5mm2A:
undetectable
4qyqB-5mm2A:
9.54
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.
5mwn TYPE VI SECRETION
PROTEIN


(Escherichia
coli)
PF05936
(T6SS_VasE)
3 GLN A 157
HIS A 156
ARG A  94
None
1.10A 4qyqB-5mwnA:
undetectable
4qyqB-5mwnA:
20.46
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.
5mzs FERRIC ENTEROBACTIN
RECEPTOR


(Pseudomonas
aeruginosa)
no annotation 3 GLN A 167
HIS A 168
ARG A 685
None
1.06A 4qyqB-5mzsA:
undetectable
4qyqB-5mzsA:
9.48
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.
5nmp ISATIN HYDROLASE

(Ralstonia
solanacearum)
no annotation 3 GLN A 203
HIS A 171
ARG A 166
None
0.73A 4qyqB-5nmpA:
undetectable
4qyqB-5nmpA:
9.86
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.
5nnb ISATIN HYDROLASE A

(Labrenzia
aggregata)
no annotation 3 GLN A 196
HIS A 164
ARG A 159
None
0.65A 4qyqB-5nnbA:
undetectable
4qyqB-5nnbA:
9.15
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.
5vj7 FERREDOXIN-NADP(+)
REDUCTASE SUBUNIT
ALPHA
OXIDOREDUCTASE


(Pyrococcus
furiosus)
PF07992
(Pyr_redox_2)
PF10418
(DHODB_Fe-S_bind)
PF14691
(Fer4_20)
3 GLN A 188
HIS A 187
ARG B  44
None
0.78A 4qyqB-5vj7A:
undetectable
4qyqB-5vj7A:
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.
5yat MITOCHONDRIAL
ALCOHOL
DEHYDROGENASE
ISOZYME III


(Komagataella
phaffii)
no annotation 3 GLN A 174
HIS A 243
ARG A 263
None
1.11A 4qyqB-5yatA:
undetectable
4qyqB-5yatA:
9.26
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.
5zya SPLICING FACTOR 3B
SUBUNIT 1


(Homo sapiens)
no annotation 3 GLN C 737
HIS C 738
ARG C 702
None
1.13A 4qyqB-5zyaC:
undetectable
4qyqB-5zyaC:
9.89
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.
6azp MYELOPEROXIDASE

(Homo sapiens)
no annotation 3 GLN A 257
HIS A 261
ARG A 405
None
0.43A 4qyqB-6azpA:
53.9
4qyqB-6azpA:
11.90
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.
6bfi VIN1

(Oscarella
pearsei)
no annotation 3 GLN A 277
HIS A 273
ARG A 812
None
0.93A 4qyqB-6bfiA:
undetectable
4qyqB-6bfiA:
9.50
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.
6bqc CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE


(Escherichia
coli)
no annotation 3 GLN A 367
HIS A 311
ARG A 382
None
1.25A 4qyqB-6bqcA:
undetectable
4qyqB-6bqcA:
9.79
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.
6c66 CRISPR-ASSOCIATED
PROTEIN, CAS5E
FAMILY
CRISPR-ASSOCIATED
PROTEIN, CSE4 FAMILY


(Thermobifida
fusca)
no annotation 3 GLN B  41
HIS M  74
ARG M 105
C  J   7 ( 4.6A)
C  J   7 ( 3.4A)
C  J   7 ( 3.7A)
1.05A 4qyqB-6c66B:
undetectable
4qyqB-6c66B:
9.72
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.
6en4 SPLICING FACTOR 3B
SUBUNIT 1


(Homo sapiens)
no annotation 3 GLN C 737
HIS C 738
ARG C 702
None
0.98A 4qyqB-6en4C:
undetectable
4qyqB-6en4C:
10.33
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.
6erc PEROXINECTIN A

(Dictyostelium
discoideum)
no annotation 3 GLN A  97
HIS A 101
ARG A 233
HEM  A 604 (-3.4A)
None
HEM  A 604 (-3.1A)
0.71A 4qyqB-6ercA:
29.6
4qyqB-6ercA:
8.99
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.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4


(Streptoalloteichus
tenebrarius)
no annotation 3 GLN B 446
HIS B 450
ARG B 358
None
1.23A 4qyqB-6fd2B:
undetectable
4qyqB-6fd2B:
9.25
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.
6gh2 LAMINARIBIOSE
PHOSPHORYLASE


(Paenibacillus
sp. YM1)
no annotation 3 GLN A  19
HIS A  22
ARG A  97
None
1.06A 4qyqB-6gh2A:
undetectable
4qyqB-6gh2A:
10.75