SIMILAR PATTERNS OF AMINO ACIDS FOR 2RGU_A_356A901

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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 152
VAL A 164
TYR A 251
TYR A 154
VAL A 160
 FAD  A 600 (-2.5A)
None
FAD  A 600 (-4.5A)
FAD  A 600 (-3.7A)
FAD  A 600 (-3.4A)
 1.32A 2rguA-1bhyA:
undetectable		 2rguA-1bhyA:
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.
1gvc OVOTRANSFERRIN

(Anas
platyrhynchos) 		PF00405
(Transferrin) 		5 GLU A 223
GLU A 226
VAL A 100
TYR A 227
VAL A 216
 None
 1.45A 2rguA-1gvcA:
undetectable		 2rguA-1gvcA:
11.52
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.
1lia R-PHYCOERYTHRIN

(Polysiphonia
urceolata) 		PF00502
(Phycobilisome) 		5 GLU B  89
SER B  96
TYR B  97
TYR A  18
VAL B  45
 None
 1.49A 2rguA-1liaB:
undetectable		 2rguA-1liaB:
13.25
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		6 GLU A 396
SER A 348
TYR A 349
TYR A 380
VAL A 471
HIS A 498
 None
 0.79A 2rguA-1lnsA:
19.9		 2rguA-1lnsA:
21.55
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		5 TYR A 210
SER A 348
TYR A 349
TYR A 380
HIS A 498
 None
 0.81A 2rguA-1lnsA:
19.9		 2rguA-1lnsA:
21.55
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.
1n0s BILIN-BINDING
PROTEIN

(Pieris
brassicae) 		PF00061
(Lipocalin) 		5 TRP A  27
SER A 132
TYR A 109
VAL A 130
VAL A  29
 None
 1.30A 2rguA-1n0sA:
undetectable		 2rguA-1n0sA:
14.19
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.
1qdl PROTEIN
(ANTHRANILATE
SYNTHASE
(TRPE-SUBUNIT))

(Sulfolobus
solfataricus) 		PF00425
(Chorismate_bind)
PF04715
(Anth_synt_I_N) 		5 SER A 309
TYR A 238
VAL A 311
VAL A 274
HIS A 270
 None
 1.43A 2rguA-1qdlA:
undetectable		 2rguA-1qdlA:
19.36
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.
1t0b THUA-LIKE PROTEIN

(Geobacillus
stearothermophilus) 		PF06283
(ThuA) 		5 GLU A 152
GLU A 128
PHE A 179
VAL A 213
VAL A 210
 None
 1.11A 2rguA-1t0bA:
2.6		 2rguA-1t0bA:
15.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		10 GLU A 203
GLU A 204
TRP A 623
SER A 624
TYR A 625
VAL A 650
TYR A 656
TYR A 660
VAL A 705
HIS A 734
 None
 0.49A 2rguA-1z68A:
48.5		 2rguA-1z68A:
53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		8 GLU A 203
GLU A 204
TYR A 541
SER A 624
TYR A 625
VAL A 650
TYR A 656
TYR A 660
 None
 0.75A 2rguA-1z68A:
48.5		 2rguA-1z68A:
53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		7 PHE A 350
TRP A 623
SER A 624
TYR A 625
VAL A 650
TYR A 660
HIS A 734
 None
 0.94A 2rguA-1z68A:
48.5		 2rguA-1z68A:
53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 PHE A 350
TYR A 541
SER A 624
TYR A 625
VAL A 650
TYR A 660
 None
 1.14A 2rguA-1z68A:
48.5		 2rguA-1z68A:
53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z68 FIBROBLAST
ACTIVATION PROTEIN,
ALPHA SUBUNIT

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TRP A 623
TYR A 628
TYR A 656
VAL A 705
HIS A 734
 None
 1.13A 2rguA-1z68A:
48.5		 2rguA-1z68A:
53.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 GLU A 205
GLU A 206
PHE A 357
TRP A 629
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
VAL A 711
HIS A 740
 008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.5A)
None
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
None
SO4  A1769 ( 4.1A)
 0.55A 2rguA-2bucA:
55.8		 2rguA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		9 GLU A 205
GLU A 206
PHE A 357
TYR A 547
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
 008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
 0.74A 2rguA-2bucA:
55.8		 2rguA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 205
PHE A 357
SER A 630
VAL A 656
VAL A 711
 008  A1767 (-3.9A)
008  A1767 (-3.5A)
SO4  A1769 ( 3.0A)
None
None
 1.38A 2rguA-2bucA:
55.8		 2rguA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 205
PHE A 357
TYR A 547
SER A 630
VAL A 656
 008  A1767 (-3.9A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
 1.39A 2rguA-2bucA:
55.8		 2rguA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TRP A 629
TYR A 634
TYR A 662
VAL A 711
HIS A 740
 None
None
008  A1767 (-4.4A)
None
SO4  A1769 ( 4.1A)
 1.09A 2rguA-2bucA:
55.8		 2rguA-2bucA:
88.19
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 205
TYR A 518
TYR A 604
VAL A 629
TYR A 639
 None
 1.12A 2rguA-2d5lA:
31.0		 2rguA-2d5lA:
26.79
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 GLU A 636
TRP A 602
SER A 603
TYR A 604
TYR A 639
HIS A 710
 None
 1.19A 2rguA-2d5lA:
31.0		 2rguA-2d5lA:
26.79
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		9 TYR A 518
TRP A 602
SER A 603
TYR A 604
VAL A 629
TYR A 635
TYR A 639
VAL A 681
HIS A 710
 None
 0.77A 2rguA-2d5lA:
31.0		 2rguA-2d5lA:
26.79
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		7 GLU A 207
TRP A 609
SER A 610
VAL A 636
TYR A 642
TYR A 646
VAL A 688
 None
 0.96A 2rguA-2ecfA:
35.1		 2rguA-2ecfA:
28.87
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 GLU A 207
TYR A 524
TRP A 609
VAL A 636
TYR A 642
TYR A 646
 None
 1.09A 2rguA-2ecfA:
35.1		 2rguA-2ecfA:
28.87
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 207
TYR A 524
VAL A 688
TYR A 642
TYR A 646
 None
 1.44A 2rguA-2ecfA:
35.1		 2rguA-2ecfA:
28.87
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		7 TRP A 609
SER A 610
VAL A 636
TYR A 642
TYR A 646
VAL A 688
HIS A 717
 None
 0.79A 2rguA-2ecfA:
35.1		 2rguA-2ecfA:
28.87
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 TYR A 524
TRP A 609
VAL A 636
TYR A 642
TYR A 646
HIS A 717
 None
 0.97A 2rguA-2ecfA:
35.1		 2rguA-2ecfA:
28.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 GLU A 205
GLU A 206
PHE A 357
TRP A 629
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
VAL A 711
HIS A 740
 ACF  A 800 (-3.6A)
ACF  A 800 (-3.2A)
None
None
ACF  A 800 (-1.3A)
None
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
None
None
 0.25A 2rguA-2g5tA:
57.7		 2rguA-2g5tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 GLU A 205
GLU A 206
PHE A 357
TYR A 547
TRP A 629
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
HIS A 740
 ACF  A 800 (-3.6A)
ACF  A 800 (-3.2A)
None
ACF  A 800 (-4.5A)
None
ACF  A 800 (-1.3A)
None
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
None
 0.49A 2rguA-2g5tA:
57.7		 2rguA-2g5tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 206
SER A 630
VAL A 656
TYR A 662
VAL A 711
 ACF  A 800 (-3.2A)
ACF  A 800 (-1.3A)
None
ACF  A 800 (-4.1A)
None
 1.24A 2rguA-2g5tA:
57.7		 2rguA-2g5tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 206
TYR A 547
SER A 630
VAL A 656
TYR A 662
 ACF  A 800 (-3.2A)
ACF  A 800 (-4.5A)
ACF  A 800 (-1.3A)
None
ACF  A 800 (-4.1A)
 1.35A 2rguA-2g5tA:
57.7		 2rguA-2g5tA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		11 GLU A 203
GLU A 204
PHE A 355
TRP A 630
SER A 631
TYR A 632
VAL A 657
TYR A 663
TYR A 667
VAL A 712
HIS A 741
 AIL  A 901 (-3.8A)
AIL  A 901 (-2.9A)
AIL  A 901 (-3.7A)
None
AIL  A 901 ( 2.8A)
None
None
AIL  A 901 (-4.3A)
AIL  A 901 (-3.8A)
AIL  A 901 (-4.9A)
SO4  A 801 (-4.1A)
 0.34A 2rguA-2oaeA:
52.0		 2rguA-2oaeA:
84.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		10 GLU A 203
GLU A 204
PHE A 355
TYR A 548
TRP A 630
TYR A 632
VAL A 657
TYR A 663
TYR A 667
HIS A 741
 AIL  A 901 (-3.8A)
AIL  A 901 (-2.9A)
AIL  A 901 (-3.7A)
SO4  A 801 (-4.3A)
None
None
None
AIL  A 901 (-4.3A)
AIL  A 901 (-3.8A)
SO4  A 801 (-4.1A)
 0.62A 2rguA-2oaeA:
52.0		 2rguA-2oaeA:
84.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 203
PHE A 355
SER A 631
VAL A 657
VAL A 712
 AIL  A 901 (-3.8A)
AIL  A 901 (-3.7A)
AIL  A 901 ( 2.8A)
None
AIL  A 901 (-4.9A)
 1.26A 2rguA-2oaeA:
52.0		 2rguA-2oaeA:
84.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2oae DIPEPTIDYL PEPTIDASE
4

(Rattus
norvegicus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 204
SER A 631
VAL A 657
TYR A 663
VAL A 712
 AIL  A 901 (-2.9A)
AIL  A 901 ( 2.8A)
None
AIL  A 901 (-4.3A)
AIL  A 901 (-4.9A)
 1.24A 2rguA-2oaeA:
52.0		 2rguA-2oaeA:
84.40
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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		5 SER A  94
TYR A  95
VAL A 120
VAL A 219
HIS A 244
 SO4  A 406 (-3.6A)
None
SO4  A 406 (-4.7A)
None
None
 0.70A 2rguA-3fsgA:
8.8		 2rguA-3fsgA:
16.21
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 636
TRP A 602
SER A 603
TYR A 639
HIS A 710
 None
 1.23A 2rguA-4q1vA:
35.8		 2rguA-4q1vA:
28.52
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 636
TYR A 518
TRP A 602
TYR A 639
HIS A 710
 None
PEG  A 801 ( 4.0A)
None
None
None
 1.46A 2rguA-4q1vA:
35.8		 2rguA-4q1vA:
28.52
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 TRP A 602
SER A 603
VAL A 629
TYR A 635
TYR A 639
HIS A 710
 None
 0.73A 2rguA-4q1vA:
35.8		 2rguA-4q1vA:
28.52
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 TYR A 518
TRP A 602
VAL A 629
TYR A 635
TYR A 639
HIS A 710
 PEG  A 801 ( 4.0A)
None
None
None
None
None
 0.88A 2rguA-4q1vA:
35.8		 2rguA-4q1vA:
28.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4wjl INACTIVE DIPEPTIDYL
PEPTIDASE 10

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 GLU A 233
GLU A 234
TYR A 652
TYR A 683
VAL A 730
HIS A 759
 None
 0.68A 2rguA-4wjlA:
41.2		 2rguA-4wjlA:
36.76
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.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		5 SER A 104
VAL A 130
TYR A 134
VAL A 250
HIS A 275
 None
 0.77A 2rguA-4y7dA:
5.7		 2rguA-4y7dA:
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.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		5 TRP A 103
VAL A 130
TYR A 134
VAL A 250
HIS A 275
 None
 1.21A 2rguA-4y7dA:
5.7		 2rguA-4y7dA:
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.
5er3 SUGAR ABC
TRANSPORTER,
PERIPLASMIC
SUGAR-BINDING
PROTEIN

(Rhodopirellula
baltica) 		PF13407
(Peripla_BP_4) 		5 GLU A 233
TYR A 140
TYR A 144
VAL A 147
VAL A 239
 None
GOL  A 402 (-4.8A)
None
None
None
 1.43A 2rguA-5er3A:
2.6		 2rguA-5er3A:
18.19
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.
5l44 K-26 DIPEPTIDYL
CARBOXYPEPTIDASE

(Astrosporangium
hypotensionis) 		PF01432
(Peptidase_M3) 		5 PHE A 591
TRP A 608
SER A 605
TYR A 606
VAL A 491
 None
None
None
SO4  A1004 ( 3.7A)
K26  A1005 (-4.7A)
 1.36A 2rguA-5l44A:
undetectable		 2rguA-5l44A:
21.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		10 GLU A 195
GLU A 196
TRP A 592
SER A 593
TYR A 594
VAL A 619
TYR A 625
TYR A 629
VAL A 671
HIS A 700
 GOL  A 801 ( 4.6A)
None
None
GOL  A 801 (-2.5A)
None
None
GOL  A 801 (-4.5A)
GOL  A 801 ( 4.1A)
None
None
 0.30A 2rguA-5oljA:
39.7		 2rguA-5oljA:
32.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		9 GLU A 195
GLU A 196
TYR A 511
TRP A 592
SER A 593
TYR A 594
VAL A 619
TYR A 625
TYR A 629
 GOL  A 801 ( 4.6A)
None
GOL  A 801 (-4.4A)
None
GOL  A 801 (-2.5A)
None
None
GOL  A 801 (-4.5A)
GOL  A 801 ( 4.1A)
 0.68A 2rguA-5oljA:
39.7		 2rguA-5oljA:
32.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TRP A 592
TYR A 597
TYR A 625
VAL A 671
HIS A 700
 None
None
GOL  A 801 (-4.5A)
None
None
 1.04A 2rguA-5oljA:
39.7		 2rguA-5oljA:
32.26
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 147
VAL A 159
TYR A 246
TYR A 149
VAL A 155
 FAD  A 601 (-2.8A)
None
FAD  A 601 (-4.9A)
FAD  A 601 (-4.1A)
FAD  A 601 (-3.8A)
 1.32A 2rguA-5u25A:
undetectable		 2rguA-5u25A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vbb RNA PSEUDOURIDYLATE
SYNTHASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00849
(PseudoU_synth_2) 		5 GLU A 109
SER A 162
VAL A 164
VAL A 150
HIS A 153
 None
 1.33A 2rguA-5vbbA:
undetectable		 2rguA-5vbbA:
18.25
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 9 GLU A 208
GLU A 209
TRP A 612
SER A 613
VAL A 639
TYR A 645
TYR A 649
VAL A 692
HIS A 721
 ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
None
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
None
ILE  A 801 (-4.5A)
 0.75A 2rguA-5yp3A:
34.5		 2rguA-5yp3A:
8.39
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 8 GLU A 208
GLU A 209
TYR A 527
TRP A 612
SER A 613
VAL A 639
TYR A 645
TYR A 649
 ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
None
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
 0.82A 2rguA-5yp3A:
34.5		 2rguA-5yp3A:
8.39
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 5 GLU A 208
TYR A 527
SER A 613
VAL A 639
TYR A 645
 ILE  A 801 (-3.4A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
 1.19A 2rguA-5yp3A:
34.5		 2rguA-5yp3A:
8.39
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 8 GLU A 249
SER A 730
TYR A 731
VAL A 756
TYR A 762
TYR A 766
VAL A 811
HIS A 840
 None
 0.58A 2rguA-6eoqA:
32.7		 2rguA-6eoqA:
6.99
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 5 GLU A 249
TYR A 644
TYR A 731
TYR A 762
TYR A 766
 None
 0.62A 2rguA-6eoqA:
32.7		 2rguA-6eoqA:
6.99
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 10 GLU A 275
GLU A 276
TYR A 669
SER A 755
TYR A 756
VAL A 781
TYR A 787
TYR A 791
VAL A 836
HIS A 865
 None
 0.56A 2rguA-6eotA:
30.1		 2rguA-6eotA:
8.24
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 6 GLU A 275
TYR A 669
SER A 755
VAL A 781
TYR A 787
VAL A 836
 None
 1.19A 2rguA-6eotA:
30.1		 2rguA-6eotA:
8.24
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 SER A 755
TYR A 759
TYR A 787
VAL A 836
HIS A 865
 None
 1.09A 2rguA-6eotA:
30.1		 2rguA-6eotA:
8.24