SIMILAR PATTERNS OF AMINO ACIDS FOR 3G0B_A_T22A800

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)
 1.29A 3g0bA-1bhyA:
undetectable		 3g0bA-1bhyA:
20.82
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.
1efp PROTEIN (ELECTRON
TRANSFER
FLAVOPROTEIN)

(Paracoccus
denitrificans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 ARG B 161
GLU A  71
TYR A  65
ASN A  97
VAL A  98
 None
 1.39A 3g0bA-1efpB:
undetectable		 3g0bA-1efpB:
15.81
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.
1ffv CUTL, MOLYBDOPROTEIN
OF CARBON MONOXIDE
DEHYDROGENASE

(Hydrogenophaga
pseudoflava) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLU B 434
SER B 745
TYR B 651
ASN B 648
HIS B 747
 None
 1.29A 3g0bA-1ffvB:
undetectable		 3g0bA-1ffvB:
20.05
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.
1jny ELONGATION FACTOR
1-ALPHA

(Sulfolobus
solfataricus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 TYR A 218
VAL A 151
TYR A 166
TYR A 210
VAL A 170
 None
 1.41A 3g0bA-1jnyA:
2.2		 3g0bA-1jnyA:
19.35
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		7 GLU A 396
SER A 348
TYR A 349
TYR A 380
ASN A 470
VAL A 471
HIS A 498
 None
 0.92A 3g0bA-1lnsA:
8.4		 3g0bA-1lnsA:
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN

(Oligotropha
carboxidovorans) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLU B 437
SER B 751
TYR B 657
ASN B 654
HIS B 753
 None
 1.30A 3g0bA-1n60B:
undetectable		 3g0bA-1n60B:
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE LARGE
CHAIN
CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN

(Oligotropha
carboxidovorans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 ARG B 126
GLU A  31
TYR A 104
TYR B  40
VAL B  44
 None
 1.45A 3g0bA-1n60B:
undetectable		 3g0bA-1n60B:
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.
1qhb HALOPEROXIDASE

(Corallina
officinalis) 		PF01569
(PAP2) 		5 ARG A 213
GLU A 154
GLU A 158
TYR A 552
VAL A 149
 None
 1.38A 3g0bA-1qhbA:
undetectable		 3g0bA-1qhbA:
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.
1t0b THUA-LIKE PROTEIN

(Geobacillus
stearothermophilus) 		PF06283
(ThuA) 		5 GLU A 152
GLU A 128
TYR A 194
VAL A 213
VAL A 210
 None
 1.22A 3g0bA-1t0bA:
undetectable		 3g0bA-1t0bA:
15.25
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
LARGE SUBUNIT

(Pseudomonas
putida) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 ARG B  49
GLU B 287
GLU B 283
VAL B 268
VAL B  45
 None
 1.42A 3g0bA-1t3qB:
undetectable		 3g0bA-1t3qB:
20.82
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.
1yb0 PROPHAGE LAMBDABA02,
N-ACETYLMURAMOYL-L-A
LANINE AMIDASE,
FAMILY 2

(Bacillus
anthracis) 		PF01510
(Amidase_2) 		5 GLU A 105
TYR A 101
TYR A 102
ASN A  30
HIS A 139
 None
 1.09A 3g0bA-1yb0A:
2.1		 3g0bA-1yb0A:
12.52
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.
1ytu HYPOTHETICAL PROTEIN
AF1318

(Archaeoglobus
fulgidus) 		PF02171
(Piwi) 		5 GLU A 312
TYR A  13
TYR A 372
ASN A   9
VAL A   7
 None
 1.44A 3g0bA-1ytuA:
4.0		 3g0bA-1ytuA:
19.79
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) 		11 ARG A 123
GLU A 203
GLU A 204
SER A 624
TYR A 625
VAL A 650
TYR A 656
TYR A 660
ASN A 704
VAL A 705
HIS A 734
 None
 0.59A 3g0bA-1z68A:
49.4		 3g0bA-1z68A:
52.75
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) 		9 ARG A 123
GLU A 203
GLU A 204
TYR A 541
TYR A 625
VAL A 650
TYR A 656
TYR A 660
ASN A 704
 None
 0.68A 3g0bA-1z68A:
49.4		 3g0bA-1z68A:
52.75
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 SER A 624
TYR A 628
TYR A 656
ASN A 704
VAL A 705
HIS A 734
 None
 1.26A 3g0bA-1z68A:
49.4		 3g0bA-1z68A:
52.75
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 ARG A 125
GLU A 205
GLU A 206
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.32A 3g0bA-2bucA:
53.2		 3g0bA-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) 		11 ARG A 125
GLU A 205
GLU A 206
TYR A 547
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
SO4  A1769 ( 4.1A)
 0.54A 3g0bA-2bucA:
53.2		 3g0bA-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
SER A 630
VAL A 656
TYR A 662
VAL A 711
 008  A1767 (-3.9A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
None
 1.21A 3g0bA-2bucA:
53.2		 3g0bA-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
TYR A 547
SER A 630
VAL A 656
TYR A 662
 008  A1767 (-3.9A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
 1.28A 3g0bA-2bucA:
53.2		 3g0bA-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 TYR A 634
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 None
008  A1767 (-4.4A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 1.03A 3g0bA-2bucA:
53.2		 3g0bA-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 636
SER A 603
TYR A 604
TYR A 639
HIS A 710
 None
 1.16A 3g0bA-2d5lA:
31.3		 3g0bA-2d5lA:
27.64
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 SER A 603
TYR A 604
TYR A 635
TYR A 639
VAL A 681
HIS A 710
 None
 0.64A 3g0bA-2d5lA:
31.3		 3g0bA-2d5lA:
27.64
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		7 TYR A 518
TYR A 604
VAL A 629
TYR A 635
TYR A 639
VAL A 681
HIS A 710
 None
 0.69A 3g0bA-2d5lA:
31.3		 3g0bA-2d5lA:
27.64
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 207
TYR A 524
VAL A 636
TYR A 642
TYR A 646
 None
 0.90A 3g0bA-2ecfA:
35.3		 3g0bA-2ecfA:
28.78
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 207
VAL A 636
TYR A 642
TYR A 646
VAL A 688
 None
 0.69A 3g0bA-2ecfA:
35.3		 3g0bA-2ecfA:
28.78
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 SER A 610
TYR A 642
TYR A 646
ASN A 687
VAL A 688
HIS A 717
 None
 0.76A 3g0bA-2ecfA:
35.3		 3g0bA-2ecfA:
28.78
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 TYR A 524
VAL A 636
TYR A 642
TYR A 646
ASN A 687
HIS A 717
 None
 0.88A 3g0bA-2ecfA:
35.3		 3g0bA-2ecfA:
28.78
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		6 VAL A 636
TYR A 642
TYR A 646
ASN A 687
VAL A 688
HIS A 717
 None
 0.60A 3g0bA-2ecfA:
35.3		 3g0bA-2ecfA:
28.78
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 ARG A 125
GLU A 205
GLU A 206
TYR A 547
SER A 630
TYR A 631
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 ACF  A 800 (-3.4A)
ACF  A 800 (-3.6A)
ACF  A 800 (-3.2A)
ACF  A 800 (-4.5A)
ACF  A 800 (-1.3A)
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
ACF  A 800 (-3.3A)
None
None
 0.64A 3g0bA-2g5tA:
54.6		 3g0bA-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 ARG A 125
GLU A 205
GLU A 206
TYR A 547
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 ACF  A 800 (-3.4A)
ACF  A 800 (-3.6A)
ACF  A 800 (-3.2A)
ACF  A 800 (-4.5A)
None
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
ACF  A 800 (-3.3A)
None
None
 0.47A 3g0bA-2g5tA:
54.6		 3g0bA-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 205
TYR A 547
SER A 630
TYR A 662
VAL A 711
 ACF  A 800 (-3.6A)
ACF  A 800 (-4.5A)
ACF  A 800 (-1.3A)
ACF  A 800 (-4.1A)
None
 1.39A 3g0bA-2g5tA:
54.6		 3g0bA-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) 		6 SER A 630
TYR A 634
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 ACF  A 800 (-1.3A)
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
None
None
 1.28A 3g0bA-2g5tA:
54.6		 3g0bA-2g5tA:
100.00
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.
2h0q SUPPRESSOR OF T-CELL
RECEPTOR SIGNALING 1

(Mus musculus) 		PF00300
(His_Phos_1) 		5 ARG A 541
GLU A 533
SER A 567
VAL A 588
TYR A 535
 None
 1.19A 3g0bA-2h0qA:
undetectable		 3g0bA-2h0qA:
17.21
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 ARG A 123
GLU A 203
GLU A 204
SER A 631
TYR A 632
VAL A 657
TYR A 663
TYR A 667
ASN A 711
VAL A 712
HIS A 741
 SO4  A 801 ( 3.1A)
AIL  A 901 (-3.8A)
AIL  A 901 (-2.9A)
AIL  A 901 ( 2.8A)
None
None
AIL  A 901 (-4.3A)
AIL  A 901 (-3.8A)
AIL  A 901 (-3.1A)
AIL  A 901 (-4.9A)
SO4  A 801 (-4.1A)
 0.58A 3g0bA-2oaeA:
52.5		 3g0bA-2oaeA:
84.52
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 ARG A 123
GLU A 203
GLU A 204
TYR A 548
TYR A 632
VAL A 657
TYR A 663
TYR A 667
ASN A 711
HIS A 741
 SO4  A 801 ( 3.1A)
AIL  A 901 (-3.8A)
AIL  A 901 (-2.9A)
SO4  A 801 (-4.3A)
None
None
AIL  A 901 (-4.3A)
AIL  A 901 (-3.8A)
AIL  A 901 (-3.1A)
SO4  A 801 (-4.1A)
 0.63A 3g0bA-2oaeA:
52.5		 3g0bA-2oaeA:
84.52
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) 		6 SER A 631
TYR A 635
TYR A 663
ASN A 711
VAL A 712
HIS A 741
 AIL  A 901 ( 2.8A)
None
AIL  A 901 (-4.3A)
AIL  A 901 (-3.1A)
AIL  A 901 (-4.9A)
SO4  A 801 (-4.1A)
 1.30A 3g0bA-2oaeA:
52.5		 3g0bA-2oaeA:
84.52
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.
2p39 FIBROBLAST GROWTH
FACTOR 23

(Homo sapiens) 		PF00167
(FGF) 		5 SER A  71
TYR A  70
VAL A  88
ASN A 162
HIS A  41
 None
 1.07A 3g0bA-2p39A:
undetectable		 3g0bA-2p39A:
13.39
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.
2yxx DIAMINOPIMELATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLU A 359
TYR A  18
TYR A  16
ASN A  48
VAL A 252
 None
 1.45A 3g0bA-2yxxA:
undetectable		 3g0bA-2yxxA:
20.06
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.
3ak5 HEMOGLOBIN-BINDING
PROTEASE HBP

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 SER A 259
VAL A 278
ASN A 126
VAL A 123
HIS A 125
 None
 1.46A 3g0bA-3ak5A:
undetectable		 3g0bA-3ak5A:
21.29
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.
3i6u SERINE/THREONINE-PRO
TEIN KINASE CHK2

(Homo sapiens) 		PF00069
(Pkinase)
PF00498
(FHA) 		5 GLU A 219
VAL A 246
TYR A 220
ASN A 290
VAL A 300
 None
 1.24A 3g0bA-3i6uA:
undetectable		 3g0bA-3i6uA:
21.00
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.
3w01 HEPTAPRENYLGLYCERYL
PHOSPHATE SYNTHASE

(Staphylococcus
aureus) 		PF01884
(PcrB) 		5 GLU A  65
SER A 163
VAL A 120
TYR A 118
TYR A 159
 None
 1.43A 3g0bA-3w01A:
undetectable		 3g0bA-3w01A:
13.63
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.
3w01 HEPTAPRENYLGLYCERYL
PHOSPHATE SYNTHASE

(Staphylococcus
aureus) 		PF01884
(PcrB) 		5 GLU A  65
SER A 163
VAL A 120
TYR A 159
VAL A 127
 None
 1.37A 3g0bA-3w01A:
undetectable		 3g0bA-3w01A:
13.63
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 SER A 603
VAL A 629
TYR A 635
TYR A 639
HIS A 710
 None
 0.63A 3g0bA-4q1vA:
33.5		 3g0bA-4q1vA:
27.27
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.
4q1v PUTATIVE DIPEPTIDYL
AMINOPEPTIDASE IV

(Bacteroides
ovatus) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 TYR A 518
VAL A 629
TYR A 635
TYR A 639
HIS A 710
 PEG  A 801 ( 4.0A)
None
None
None
None
 0.73A 3g0bA-4q1vA:
33.5		 3g0bA-4q1vA:
27.27
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.
4r0n PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF01467
(CTP_transf_like) 		5 GLU A 146
TYR A 122
VAL A  13
ASN A 149
VAL A 148
 None
 1.28A 3g0bA-4r0nA:
undetectable		 3g0bA-4r0nA:
12.55
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 3g0bA-4wjlA:
41.2		 3g0bA-4wjlA:
36.24
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.
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
 0.84A 3g0bA-4y7dA:
15.4		 3g0bA-4y7dA:
16.80
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.
5f06 GLUTATHIONE
S-TRANSFERASE FAMILY
PROTEIN

(Populus
trichocarpa) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 ARG A  68
GLU A 104
TYR A 176
VAL A 116
ASN A 109
 GSH  A 301 (-4.0A)
None
None
None
None
 1.43A 3g0bA-5f06A:
undetectable		 3g0bA-5f06A:
13.80
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.
5jjx SQUAMOUS CELL
CARCINOMA ANTIGEN
RECOGNIZED BY
T-CELLS 3

(Homo sapiens) 		no annotation 5 ARG A 391
SER A 351
TYR A 353
VAL A 367
HIS A 368
 None
 1.44A 3g0bA-5jjxA:
undetectable		 3g0bA-5jjxA:
17.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 ARG A 682
GLU A 954
TYR A1041
SER A1038
VAL A 956
 None
 1.18A 3g0bA-5m59A:
undetectable		 3g0bA-5m59A:
17.09
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) 		11 ARG A 115
GLU A 195
GLU A 196
SER A 593
TYR A 594
VAL A 619
TYR A 625
TYR A 629
ASN A 670
VAL A 671
HIS A 700
 GOL  A 801 ( 4.4A)
GOL  A 801 ( 4.6A)
None
GOL  A 801 (-2.5A)
None
None
GOL  A 801 (-4.5A)
GOL  A 801 ( 4.1A)
GOL  A 801 ( 3.6A)
None
None
 0.51A 3g0bA-5oljA:
40.2		 3g0bA-5oljA:
32.13
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 ARG A 115
GLU A 195
GLU A 196
TYR A 511
TYR A 594
VAL A 619
TYR A 625
TYR A 629
ASN A 670
HIS A 700
 GOL  A 801 ( 4.4A)
GOL  A 801 ( 4.6A)
None
GOL  A 801 (-4.4A)
None
None
GOL  A 801 (-4.5A)
GOL  A 801 ( 4.1A)
GOL  A 801 ( 3.6A)
None
 0.64A 3g0bA-5oljA:
40.2		 3g0bA-5oljA:
32.13
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) 		6 SER A 593
TYR A 597
TYR A 625
ASN A 670
VAL A 671
HIS A 700
 GOL  A 801 (-2.5A)
None
GOL  A 801 (-4.5A)
GOL  A 801 ( 3.6A)
None
None
 1.15A 3g0bA-5oljA:
40.2		 3g0bA-5oljA:
32.13
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.
5oqm GENERAL
TRANSCRIPTION AND
DNA REPAIR FACTOR
IIH HELICASE SUBUNIT
XPB

(Saccharomyces
cerevisiae) 		no annotation 5 GLU 7 572
TYR 7 581
TYR 7 569
ASN 7 767
VAL 7 763
 None
 1.24A 3g0bA-5oqm7:
undetectable		 3g0bA-5oqm7:
8.41
Potential target for repurposing, i.e. matched protein structure has less than 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)
 1.29A 3g0bA-5u25A:
undetectable		 3g0bA-5u25A:
21.37
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.
5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1

(Schizosaccharomyces
pombe) 		PF00899
(ThiF)
PF09358
(E1_UFD)
PF10585
(UBA_e1_thiolCys)
PF16190
(E1_FCCH)
PF16191
(E1_4HB) 		5 GLU A 558
TYR A 544
VAL A 513
ASN A 534
VAL A 433
 None
 1.48A 3g0bA-5um6A:
2.5		 3g0bA-5um6A:
21.03
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 9 ARG A 106
GLU A 208
GLU A 209
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
 ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
 0.94A 3g0bA-5yp3A:
37.3		 3g0bA-5yp3A:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 9 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
 ILE  A 801 (-4.2A)
ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
 0.98A 3g0bA-5yp3A:
37.3		 3g0bA-5yp3A:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 9 GLU A 208
GLU A 209
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
VAL A 692
HIS A 721
 ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
 0.59A 3g0bA-5yp3A:
37.3		 3g0bA-5yp3A:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 9 GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
ASN A 691
HIS A 721
 ILE  A 801 (-3.4A)
ILE  A 801 (-2.7A)
PRO  A 802 (-4.7A)
PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
PRO  A 802 (-3.8A)
ILE  A 801 (-3.1A)
ILE  A 801 (-4.5A)
 0.74A 3g0bA-5yp3A:
37.3		 3g0bA-5yp3A:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.32A 3g0bA-5yp3A:
37.3		 3g0bA-5yp3A:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 5 GLU A 208
TYR A 653
VAL A 639
ASN A 691
VAL A 692
 ILE  A 801 (-3.4A)
None
None
ILE  A 801 (-3.1A)
None
 1.50A 3g0bA-5yp3A:
37.3		 3g0bA-5yp3A:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 6 SER A 613
TYR A 617
TYR A 645
ASN A 691
VAL A 692
HIS A 721
 PRO  A 802 (-1.3A)
None
PRO  A 802 (-4.0A)
ILE  A 801 (-3.1A)
None
ILE  A 801 (-4.5A)
 1.21A 3g0bA-5yp3A:
37.3		 3g0bA-5yp3A:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 6 GLU A 249
SER A 730
TYR A 762
ASN A 810
VAL A 811
HIS A 840
 None
 0.84A 3g0bA-6eoqA:
9.4		 3g0bA-6eoqA:
6.97
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 6 GLU A 249
TYR A 644
TYR A 731
TYR A 762
TYR A 766
ASN A 810
 None
 0.75A 3g0bA-6eoqA:
9.4		 3g0bA-6eoqA:
6.97
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 8 GLU A 249
TYR A 731
VAL A 756
TYR A 762
TYR A 766
ASN A 810
VAL A 811
HIS A 840
 None
 0.51A 3g0bA-6eoqA:
9.4		 3g0bA-6eoqA:
6.97
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 12 ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
TYR A 756
VAL A 781
TYR A 787
TYR A 791
ASN A 835
VAL A 836
HIS A 865
 None
 0.85A 3g0bA-6eotA:
30.8		 3g0bA-6eotA:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.34A 3g0bA-6eotA:
30.8		 3g0bA-6eotA:
7.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 6 SER A 755
TYR A 759
TYR A 787
ASN A 835
VAL A 836
HIS A 865
 None
 1.13A 3g0bA-6eotA:
30.8		 3g0bA-6eotA:
7.14