SIMILAR PATTERNS OF AMINO ACIDS FOR 4FFW_B_715B801_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b6r PROTEIN
(N5-CARBOXYAMINOIMID
AZOLE RIBONUCLEOTIDE
SYNTHETASE)

(Escherichia
coli) 		PF02222
(ATP-grasp) 		5 ARG A 190
GLY A 187
SER A 288
VAL A 309
VAL A 315
 None
 1.34A 4ffwB-1b6rA:
undetectable		 4ffwB-1b6rA:
16.85
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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 152
GLY A 134
TYR A 251
TYR A 154
VAL A 164
 FAD  A 600 (-2.5A)
None
FAD  A 600 (-4.5A)
FAD  A 600 (-3.7A)
None
 1.45A 4ffwB-1bhyA:
undetectable		 4ffwB-1bhyA:
19.17
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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLU A 152
GLY A 233
VAL A 164
TYR A 251
VAL A 160
 FAD  A 600 (-2.5A)
FAD  A 600 (-3.8A)
None
FAD  A 600 (-4.5A)
FAD  A 600 (-3.4A)
 1.49A 4ffwB-1bhyA:
undetectable		 4ffwB-1bhyA:
19.17
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.
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)
 1.28A 4ffwB-1bhyA:
undetectable		 4ffwB-1bhyA:
19.17
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ARG A 290
GLU A 260
GLU A 121
GLY A 123
HIS A 351
 CL  A 541 ( 4.6A)
None
CL  A 541 ( 4.2A)
None
FAD  A 800 (-4.2A)
 1.37A 4ffwB-1knrA:
undetectable		 4ffwB-1knrA:
21.07
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.
1kol FORMALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 195
SER A 285
VAL A 289
TYR A 190
HIS A 269
 NAD  A1403 (-3.4A)
None
None
None
SO4  A1003 ( 3.9A)
 1.29A 4ffwB-1kolA:
undetectable		 4ffwB-1kolA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		5 GLU A 396
SER A 348
TYR A 380
VAL A 471
HIS A 498
 None
 0.44A 4ffwB-1lnsA:
7.4		 4ffwB-1lnsA:
21.49
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.
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 380
VAL A 471
HIS A 498
 None
 0.66A 4ffwB-1lnsA:
7.4		 4ffwB-1lnsA:
21.49
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.
1nzy 4-CHLOROBENZOYL
COENZYME A
DEHALOGENASE

(Pseudomonas sp.
CBS3) 		PF00378
(ECH_1) 		5 GLU B  15
GLY B  55
VAL B  48
VAL B   9
HIS B   7
 None
 1.49A 4ffwB-1nzyB:
undetectable		 4ffwB-1nzyB:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 4ffwB-1t0bA:
undetectable		 4ffwB-1t0bA:
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.
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
 1.31A 4ffwB-1t3qB:
undetectable		 4ffwB-1t3qB:
22.25
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.
1u8x MALTOSE-6'-PHOSPHATE
GLUCOSIDASE

(Bacillus
subtilis) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		5 GLY X  14
TYR X 120
SER X 124
VAL X 154
VAL X 128
 NAD  X 900 (-3.4A)
None
None
None
None
 1.27A 4ffwB-1u8xX:
undetectable		 4ffwB-1u8xX:
19.84
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 ARG A 123
GLU A 203
GLU A 204
TYR A 541
SER A 624
VAL A 650
TYR A 656
TYR A 660
VAL A 705
HIS A 734
 None
 0.58A 4ffwB-1z68A:
47.9		 4ffwB-1z68A:
54.76
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 ARG A 123
PHE A 350
TYR A 541
SER A 624
VAL A 650
TYR A 660
HIS A 734
 None
 1.11A 4ffwB-1z68A:
47.9		 4ffwB-1z68A:
54.76
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 GLU A1127
GLY A1130
TYR A1391
SER A1479
TYR A1227
 None
 1.42A 4ffwB-2b39A:
undetectable		 4ffwB-2b39A:
18.21
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.
2bk8 TITIN HEART ISOFORM
N2-B

(Homo sapiens) 		PF07679
(I-set) 		5 ARG A  95
GLU A  88
VAL A  18
TYR A  20
TYR A  72
 None
 1.43A 4ffwB-2bk8A:
undetectable		 4ffwB-2bk8A:
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.
2bkl PROLYL ENDOPEPTIDASE

(Myxococcus
xanthus) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 248
TYR A 453
SER A 533
TYR A 578
VAL A 619
 None
ZAH  A1533 (-4.5A)
ZAH  A1533 (-1.4A)
None
None
 1.16A 4ffwB-2bklA:
23.7		 4ffwB-2bklA:
22.67
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
PHE A 357
TYR A 547
SER A 630
VAL A 656
TYR A 662
TYR A 666
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
None
SO4  A1769 ( 4.1A)
 0.57A 4ffwB-2bucA:
51.3		 4ffwB-2bucA:
81.92
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
VAL A 656
TYR A 662
 008  A1767 (-3.9A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
None
008  A1767 (-4.4A)
 1.30A 4ffwB-2bucA:
51.3		 4ffwB-2bucA:
81.92
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 205
GLY A 207
TYR A 518
VAL A 629
TYR A 639
 None
 1.12A 4ffwB-2d5lA:
31.6		 4ffwB-2d5lA:
27.39
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 205
TYR A 518
SER A 603
TYR A 639
VAL A 680
 None
 1.32A 4ffwB-2d5lA:
31.6		 4ffwB-2d5lA:
27.39
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLU A 205
TYR A 518
SER A 603
VAL A 629
TYR A 639
 None
 0.87A 4ffwB-2d5lA:
31.6		 4ffwB-2d5lA:
27.39
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 GLY A 207
TYR A 518
VAL A 629
TYR A 635
TYR A 639
 None
 1.01A 4ffwB-2d5lA:
31.6		 4ffwB-2d5lA:
27.39
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		7 TYR A 518
SER A 603
VAL A 629
TYR A 635
TYR A 639
VAL A 681
HIS A 710
 None
 0.37A 4ffwB-2d5lA:
31.6		 4ffwB-2d5lA:
27.39
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		8 GLU A 207
TYR A 524
SER A 610
VAL A 636
TYR A 642
TYR A 646
VAL A 688
HIS A 717
 None
 0.63A 4ffwB-2ecfA:
34.8		 4ffwB-2ecfA:
28.10
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
PHE A 357
TYR A 547
SER A 630
VAL A 656
TYR A 662
TYR A 666
VAL A 711
HIS A 740
 ACF  A 800 (-3.4A)
ACF  A 800 (-3.6A)
ACF  A 800 (-3.2A)
None
ACF  A 800 (-4.5A)
ACF  A 800 (-1.3A)
None
ACF  A 800 (-4.1A)
ACF  A 800 (-3.3A)
None
None
 0.39A 4ffwB-2g5tA:
51.6		 4ffwB-2g5tA:
84.50
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) 		7 GLU A 205
PHE A 357
TYR A 547
SER A 630
VAL A 656
TYR A 662
VAL A 711
 ACF  A 800 (-3.6A)
None
ACF  A 800 (-4.5A)
ACF  A 800 (-1.3A)
None
ACF  A 800 (-4.1A)
None
 1.29A 4ffwB-2g5tA:
51.6		 4ffwB-2g5tA:
84.50
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.
2iuy GLYCOSYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00534
(Glycos_transf_1) 		5 GLY A  38
SER A 269
VAL A 273
TYR A 162
VAL A 157
 MES  A1353 ( 3.7A)
None
None
None
None
 1.35A 4ffwB-2iuyA:
4.6		 4ffwB-2iuyA:
18.49
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) 		12 ARG A 123
GLU A 203
GLU A 204
GLY A 207
PHE A 355
TYR A 548
SER A 631
VAL A 657
TYR A 663
TYR A 667
VAL A 712
HIS A 741
 SO4  A 801 ( 3.1A)
AIL  A 901 (-3.8A)
AIL  A 901 (-2.9A)
AIL  A 901 ( 4.1A)
AIL  A 901 (-3.7A)
SO4  A 801 (-4.3A)
AIL  A 901 ( 2.8A)
None
AIL  A 901 (-4.3A)
AIL  A 901 (-3.8A)
AIL  A 901 (-4.9A)
SO4  A 801 (-4.1A)
 0.48A 4ffwB-2oaeA:
52.2		 4ffwB-2oaeA:
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) 		7 GLU A 203
GLY A 207
PHE A 355
TYR A 548
SER A 631
VAL A 657
VAL A 712
 AIL  A 901 (-3.8A)
AIL  A 901 ( 4.1A)
AIL  A 901 (-3.7A)
SO4  A 801 (-4.3A)
AIL  A 901 ( 2.8A)
None
AIL  A 901 (-4.9A)
 1.46A 4ffwB-2oaeA:
52.2		 4ffwB-2oaeA:
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.
2qri H-2 CLASS I
HISTOCOMPATIBILITY
ANTIGEN K-B ALPHA
CHAIN, BETA-2
MICROGLOBULIN,
OVALBUMIN-DERIVED
PEPTIDE

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 ARG A 155
GLU A 152
GLY A 151
SER A  99
TYR A 116
 None
 1.49A 4ffwB-2qriA:
undetectable		 4ffwB-2qriA:
19.39
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.
2yd3 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF07679
(I-set) 		5 GLY A 203
TYR A 217
SER A  51
VAL A  53
VAL A  90
 None
None
None
NA  A1229 (-4.5A)
None
 1.19A 4ffwB-2yd3A:
undetectable		 4ffwB-2yd3A:
14.74
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.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		5 ARG A  85
GLU A  82
PHE A 128
VAL A 263
VAL A  32
 None
 1.45A 4ffwB-2zieA:
undetectable		 4ffwB-2zieA:
18.50
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.
3aal PROBABLE
ENDONUCLEASE 4

(Geobacillus
kaustophilus) 		PF01261
(AP_endonuc_2) 		5 GLY A 112
TYR A  34
VAL A  67
VAL A 212
HIS A 214
 None
None
None
None
FE  A 302 (-3.4A)
 1.38A 4ffwB-3aalA:
undetectable		 4ffwB-3aalA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aq1 THERMOSOME SUBUNIT

(Methanococcoides
burtonii) 		PF00118
(Cpn60_TCP1) 		5 GLU B 341
GLY B 347
VAL B 279
TYR B 300
VAL B 339
 None
 1.24A 4ffwB-3aq1B:
undetectable		 4ffwB-3aq1B:
21.35
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 GLY A 254
TYR A 473
SER A 554
TYR A 599
VAL A 644
 552  A 901 (-4.4A)
ACT  A 801 (-4.5A)
ACT  A 801 ( 2.6A)
None
None
 0.98A 4ffwB-3dduA:
10.6		 4ffwB-3dduA:
21.76
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 TYR A 473
SER A 554
VAL A 580
VAL A 644
HIS A 680
 ACT  A 801 (-4.5A)
ACT  A 801 ( 2.6A)
None
None
ACT  A 801 (-3.8A)
 0.31A 4ffwB-3dduA:
10.6		 4ffwB-3dduA:
21.76
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.
3ekg MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Azotobacter
vinelandii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLU A 340
GLY A 164
PHE A 175
SER A 326
VAL A 330
 TLA  A 501 (-2.8A)
None
None
None
None
 1.37A 4ffwB-3ekgA:
undetectable		 4ffwB-3ekgA:
19.67
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.
3imf SHORT CHAIN
DEHYDROGENASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		5 TYR A 142
SER A 153
VAL A 111
VAL A 107
HIS A 152
 None
 1.34A 4ffwB-3imfA:
4.5		 4ffwB-3imfA:
16.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ju1 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Shewanella
oneidensis) 		PF16113
(ECH_2) 		5 GLU A 109
GLY A 135
TYR A 163
VAL A 327
TYR A 110
 FMT  A 403 ( 3.9A)
None
None
None
None
 1.28A 4ffwB-3ju1A:
3.4		 4ffwB-3ju1A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lqc DNA POLYMERASE BETA

(Rattus
norvegicus) 		PF14791
(DNA_pol_B_thumb)
PF14792
(DNA_pol_B_palm) 		5 ARG B 182
GLY B 179
PHE B 278
TYR B 327
VAL B 313
 None
 1.25A 4ffwB-3lqcB:
undetectable		 4ffwB-3lqcB:
14.74
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 TYR A 458
SER A 538
VAL A 564
VAL A 625
HIS A 657
 ZPR  A 701 (-4.4A)
ZPR  A 701 (-1.2A)
None
ZPR  A 701 (-4.9A)
ZPR  A 702 (-4.0A)
 0.38A 4ffwB-3muoA:
23.3		 4ffwB-3muoA:
22.93
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.
3nzq BIOSYNTHETIC
ARGININE
DECARBOXYLASE

(Escherichia
coli) 		PF02784
(Orn_Arg_deC_N) 		5 GLU A 360
GLY A 146
TYR A 568
SER A 275
HIS A 272
 None
None
SO4  A 701 (-4.8A)
SO4  A 701 (-2.6A)
None
 1.46A 4ffwB-3nzqA:
2.9		 4ffwB-3nzqA:
20.26
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFE

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 GLU A 203
GLU A 209
GLY A 230
VAL A 339
TYR A 275
 None
 1.45A 4ffwB-3pdiA:
3.2		 4ffwB-3pdiA:
21.43
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.
3pt1 UPF0364 PROTEIN
YMR027W

(Saccharomyces
cerevisiae) 		PF01937
(DUF89) 		5 ARG A  23
GLU A 110
GLY A  16
TYR A 114
VAL A 290
 F6P  A1001 (-3.2A)
F6P  A1001 (-2.7A)
None
None
None
 1.45A 4ffwB-3pt1A:
undetectable		 4ffwB-3pt1A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pxh RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE F

(Mus musculus) 		PF07679
(I-set) 		5 GLY A 203
TYR A 217
SER A  51
VAL A  53
VAL A  90
 None
 1.26A 4ffwB-3pxhA:
undetectable		 4ffwB-3pxhA:
13.97
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.
3rm5 HYDROXYMETHYLPYRIMID
INE/PHOSPHOMETHYLPYR
IMIDINE KINASE THI20

(Saccharomyces
cerevisiae) 		PF03070
(TENA_THI-4)
PF08543
(Phos_pyr_kin) 		5 GLY A 439
TYR A 472
VAL A 410
TYR A 379
HIS A 417
 None
 1.30A 4ffwB-3rm5A:
undetectable		 4ffwB-3rm5A:
22.07
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.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		5 GLY A 472
TYR A 547
VAL A 291
TYR A 485
TYR A 484
 None
 1.30A 4ffwB-3u24A:
undetectable		 4ffwB-3u24A:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 ARG A 354
GLY A 339
SER A 311
VAL A 207
TYR A  45
 None
 1.33A 4ffwB-3wy7A:
2.5		 4ffwB-3wy7A:
18.76
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 5 GLU A 683
GLU A 518
GLY A 685
PHE A 737
VAL A 490
 None
 1.43A 4ffwB-4a7kA:
6.2		 4ffwB-4a7kA:
21.10
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.
4ldq METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Homo sapiens) 		PF01008
(IF-2B) 		5 GLU A 219
GLY A 171
PHE A 214
TYR A  27
TYR A 218
 None
 1.32A 4ffwB-4ldqA:
undetectable		 4ffwB-4ldqA:
19.89
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.
4nfn TAU-TUBULIN KINASE 1

(Homo sapiens) 		PF00069
(Pkinase) 		5 ARG A 119
GLU A 231
PHE A 126
SER A 158
TYR A 205
 SO4  A 403 (-4.6A)
SO4  A 403 ( 4.9A)
None
2KC  A 401 ( 3.1A)
None
 1.30A 4ffwB-4nfnA:
3.4		 4ffwB-4nfnA:
17.71
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.
4pbv PROTEIN-TYROSINE
PHOSPHATASE
CRYPALPHA1 ISOFORM

(Gallus gallus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 GLY C 202
TYR C 216
SER C  50
VAL C  52
VAL C  89
 None
 1.34A 4ffwB-4pbvC:
undetectable		 4ffwB-4pbvC:
18.21
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.
4pbx RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF00041
(fn3)
PF07679
(I-set) 		5 GLY A 203
TYR A 217
SER A  51
VAL A  53
VAL A  90
 None
 1.17A 4ffwB-4pbxA:
undetectable		 4ffwB-4pbxA:
21.02
Potential target for repurposing, i.e. matched protein structure has less than 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
SER A 603
VAL A 629
TYR A 635
TYR A 639
HIS A 710
 PEG  A 801 ( 4.0A)
None
None
None
None
None
 0.32A 4ffwB-4q1vA:
32.4		 4ffwB-4q1vA:
27.31
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.
4tvv TYROSINE PHOSPHATASE
II SUPERFAMILY
PROTEIN

(Legionella
pneumophila) 		PF14566
(PTPlike_phytase) 		5 TYR A 115
VAL A 188
TYR A 195
VAL A 105
HIS A 230
 None
 1.35A 4ffwB-4tvvA:
undetectable		 4ffwB-4tvvA:
18.45
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) 		5 GLU A 233
GLU A 234
TYR A 683
VAL A 730
HIS A 759
 None
 0.63A 4ffwB-4wjlA:
40.3		 4ffwB-4wjlA:
38.34
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.
4x00 PUTATIVE HYDROLASE

(Burkholderia
cenocepacia) 		PF12697
(Abhydrolase_6) 		5 GLY A 168
SER A 112
VAL A 139
VAL A 233
HIS A 259
 None
GOL  A 308 (-3.5A)
None
None
GOL  A 308 ( 4.5A)
 0.84A 4ffwB-4x00A:
6.1		 4ffwB-4x00A:
15.92
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.
4y25 POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
EXPORT PROTEIN

(Escherichia
coli) 		no annotation 5 ARG A 609
GLU A 592
GLU A 583
GLY A 612
TYR A 547
 None
 1.34A 4ffwB-4y25A:
undetectable		 4ffwB-4y25A:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.73A 4ffwB-4y7dA:
6.2		 4ffwB-4y7dA:
17.49
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.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		5 GLY A  48
PHE A 247
SER A 268
TYR A 335
VAL A 228
 FAD  A 401 (-4.1A)
None
SO4  A 402 (-3.8A)
None
None
 1.50A 4ffwB-4yshA:
undetectable		 4ffwB-4yshA:
19.59
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.
5dxf TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Candida
albicans) 		PF00982
(Glyco_transf_20) 		5 ARG A 339
GLU A 153
TYR A 206
TYR A 207
VAL A 230
 None
 1.40A 4ffwB-5dxfA:
5.5		 4ffwB-5dxfA:
22.07
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.
5dzt CYLM

(Enterococcus
faecalis) 		PF05147
(LANC_like)
PF13575
(DUF4135) 		5 GLU A 976
GLY A 916
PHE A 967
TYR A 748
VAL A 706
 None
 1.27A 4ffwB-5dztA:
undetectable		 4ffwB-5dztA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gha SULFUR CARRIER TTUB
SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3)
no annotation 		5 GLU E  33
GLY A 246
TYR A  26
SER A 208
VAL E  36
 None
None
None
None
EDO  E 101 (-4.1A)
 1.34A 4ffwB-5ghaE:
undetectable		 4ffwB-5ghaE:
8.40
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.
5gha SULFUR CARRIER TTUB
SULFUR TRANSFERASE
TTUA

(Thermus
thermophilus) 		PF01171
(ATP_bind_3)
no annotation 		5 GLU E  33
GLY A 246
TYR A  26
SER A 208
VAL E  36
 None
None
None
None
EDO  E 101 (-4.1A)
 1.48A 4ffwB-5ghaE:
undetectable		 4ffwB-5ghaE:
8.40
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.
5h0i ASPARAGINYL
ENDOPEPTIDASE

(Oldenlandia
affinis) 		PF01650
(Peptidase_C13) 		5 GLU A 440
GLY A  67
TYR A 172
VAL A 180
TYR A 188
 None
 1.43A 4ffwB-5h0iA:
undetectable		 4ffwB-5h0iA:
20.95
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 ARG A 916
GLU A 917
GLY A 915
TYR A 969
SER A1005
 G1P  A1201 ( 4.0A)
G1P  A1201 (-3.6A)
None
None
G1P  A1201 (-2.5A)
 1.29A 4ffwB-5h42A:
undetectable		 4ffwB-5h42A:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lxv SCAFFOLDIN C

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin) 		5 PHE A  20
TYR A  43
SER A  87
VAL A  89
VAL A  78
 None
 1.14A 4ffwB-5lxvA:
undetectable		 4ffwB-5lxvA:
14.66
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
GLY A 198
TYR A 511
SER A 593
VAL A 619
TYR A 625
TYR A 629
VAL A 671
HIS A 700
 GOL  A 801 ( 4.4A)
GOL  A 801 ( 4.6A)
None
None
GOL  A 801 (-4.4A)
GOL  A 801 (-2.5A)
None
GOL  A 801 (-4.5A)
GOL  A 801 ( 4.1A)
None
None
 0.62A 4ffwB-5oljA:
39.1		 4ffwB-5oljA:
32.00
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.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 5 GLU A 517
GLY A 532
SER A 426
VAL A 389
TYR A 422
 TRS  A 703 (-2.9A)
None
None
None
None
 1.43A 4ffwB-5opqA:
undetectable		 4ffwB-5opqA:
7.26
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
GLY A 129
TYR A 246
TYR A 149
VAL A 159
 FAD  A 601 (-2.8A)
None
FAD  A 601 (-4.9A)
FAD  A 601 (-4.1A)
None
 1.44A 4ffwB-5u25A:
undetectable		 4ffwB-5u25A:
21.24
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.
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
GLY A 228
VAL A 159
TYR A 246
VAL A 155
 FAD  A 601 (-2.8A)
FAD  A 601 (-3.8A)
None
FAD  A 601 (-4.9A)
FAD  A 601 (-3.8A)
 1.47A 4ffwB-5u25A:
undetectable		 4ffwB-5u25A:
21.24
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.
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)
 1.28A 4ffwB-5u25A:
undetectable		 4ffwB-5u25A:
21.24
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.
5xb7 BETA-GALACTOSIDASE

(Bifidobacterium
animalis) 		no annotation 5 GLY A 629
VAL A 277
TYR A 307
VAL A 309
HIS A 334
 None
 1.23A 4ffwB-5xb7A:
3.1		 4ffwB-5xb7A:
21.91
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 10 ARG A 106
GLU A 208
GLU A 209
TYR A 527
SER A 613
VAL A 639
TYR A 645
TYR A 649
VAL A 692
HIS A 721
 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)
None
ILE  A 801 (-4.5A)
 0.66A 4ffwB-5yp3A:
36.5		 4ffwB-5yp3A:
7.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.06A 4ffwB-5yp3A:
36.5		 4ffwB-5yp3A:
7.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c4n PSEUDOPALINE
DEHYDROGENASE

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A  17
SER A 196
VAL A 198
TYR A 151
VAL A 170
 NAP  A 501 (-3.3A)
None
None
None
None
 1.37A 4ffwB-6c4nA:
undetectable		 4ffwB-6c4nA:
8.90
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.
6dux 6-PHOSPHO-ALPHA-GLUC
OSIDASE

(Klebsiella
pneumoniae) 		no annotation 5 GLY A  12
TYR A 118
SER A 122
VAL A 152
VAL A 126
 NAD  A 501 (-3.2A)
NAD  A 501 (-4.6A)
None
None
None
 1.27A 4ffwB-6duxA:
undetectable		 4ffwB-6duxA:
8.04
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.
6eoq DIPEPTIDYL PEPTIDASE
9

(Homo sapiens) 		no annotation 8 GLU A 249
TYR A 644
SER A 730
VAL A 756
TYR A 762
TYR A 766
VAL A 811
HIS A 840
 None
 0.56A 4ffwB-6eoqA:
29.5		 4ffwB-6eoqA:
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 10 ARG A 160
GLU A 275
GLU A 276
TYR A 669
SER A 755
VAL A 781
TYR A 787
TYR A 791
VAL A 836
HIS A 865
 None
 0.56A 4ffwB-6eotA:
29.3		 4ffwB-6eotA:
8.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 GLU A 275
TYR A 669
SER A 755
VAL A 781
TYR A 787
 None
 1.11A 4ffwB-6eotA:
29.3		 4ffwB-6eotA:
8.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6exs PEPTIDE ABC
TRANSPORTER PERMEASE

(Staphylococcus
hominis) 		no annotation 5 GLU A  36
GLY A 102
TYR A  79
TYR A  40
VAL A 166
 None
 1.21A 4ffwB-6exsA:
undetectable		 4ffwB-6exsA:
8.91