SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '552'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1FDU_A_ESTA351_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE)		 1v0f ENDO-ALPHA-SIALIDASE
(Enterobacteria
phage
K1F) 		5 / 12 VAL A 551
GLY A 552
LEU A 593
LEU A 620
SER A 619
 VAL  A 551 ( 0.6A)
GLY  A 552 ( 0.0A)
LEU  A 593 ( 0.5A)
LEU  A 620 ( 0.6A)
SER  A 619 ( 0.0A)
 1.04A 1fduA-1v0fA:
undetectable		 1fduA-1v0fA:
19.05
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.
1FOH_A_IPHA802_0
(PHENOL HYDROXYLASE)		 3up4 OTEMO
(Pseudomonas
putida) 		5 / 10 GLY A 192
VAL A 190
ILE A 201
TYR A 344
GLY A 194
 NAP  A 552 (-3.4A)
None
None
None
NAP  A 552 (-3.4A)
 0.92A 1fohA-3up4A:
8.7		 1fohA-3up4A:
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.
1FOH_B_IPHB802_0
(PHENOL HYDROXYLASE)		 3up4 OTEMO
(Pseudomonas
putida) 		5 / 10 GLY A 192
VAL A 190
ILE A 201
TYR A 344
GLY A 194
 NAP  A 552 (-3.4A)
None
None
None
NAP  A 552 (-3.4A)
 0.93A 1fohB-3up4A:
7.1		 1fohB-3up4A:
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.
1FOH_D_IPHD802_0
(PHENOL HYDROXYLASE)		 3up4 OTEMO
(Pseudomonas
putida) 		5 / 10 GLY A 192
VAL A 190
ILE A 201
TYR A 344
GLY A 194
 NAP  A 552 (-3.4A)
None
None
None
NAP  A 552 (-3.4A)
 0.93A 1fohD-3up4A:
6.6		 1fohD-3up4A:
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.
1HO5_A_ADNA1604_1
(5'-NUCLEOTIDASE)		 2ze0 ALPHA-GLUCOSIDASE
(Geobacillus
sp.
HTA-462) 		5 / 11 ILE A  27
GLY A 427
GLY A  24
PHE A 424
ASP A  21
 CA  A 552 (-4.7A)
None
None
None
CA  A 552 (-3.1A)
 1.03A 1ho5A-2ze0A:
undetectable		 1ho5A-2ze0A:
23.55
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.
1HPV_B_478B200_1
(HIV-1 PROTEASE)		 3up4 OTEMO
(Pseudomonas
putida) 		5 / 9 GLY A 192
VAL A 356
GLY A 189
ILE A 383
ILE A 358
 NAP  A 552 (-3.4A)
None
None
None
None
 0.99A 1hpvA-3up4A:
undetectable		 1hpvA-3up4A:
11.59
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.
1KF6_N_ACTN803_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		 5all SOLUBLE EPOXIDE
HYDROLASE
(Homo
sapiens) 		4 / 6 GLY A 266
ASP A 335
TYR A 296
TRP A 465
 None
II6  A1552 ( 3.0A)
None
None
 1.34A 1kf6M-5allA:
undetectable
1kf6N-5allA:
undetectable		 1kf6M-5allA:
22.80
1kf6N-5allA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MEH_A_MOAA600_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		 4ap3 STEROID
MONOOXYGENASE
(Rhodococcus
rhodochrous) 		5 / 10 ILE A  37
GLY A  33
GLU A 106
GLY A  55
GLU A  51
 None
None
None
None
FAD  A1552 (-2.5A)
 1.01A 1mehA-4ap3A:
undetectable		 1mehA-4ap3A:
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.
1PN0_A_IPHA6012_0
(PHENOL
2-MONOOXYGENASE)		 3up4 OTEMO
(Pseudomonas
putida) 		5 / 10 GLY A 192
VAL A 190
ILE A 201
TYR A 344
GLY A 194
 NAP  A 552 (-3.4A)
None
None
None
NAP  A 552 (-3.4A)
 0.93A 1pn0A-3up4A:
6.1		 1pn0A-3up4A:
22.27
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.
1PN0_B_IPHB6022_0
(PHENOL
2-MONOOXYGENASE)		 3up4 OTEMO
(Pseudomonas
putida) 		5 / 10 GLY A 192
VAL A 190
ILE A 201
TYR A 344
GLY A 194
 NAP  A 552 (-3.4A)
None
None
None
NAP  A 552 (-3.4A)
 0.92A 1pn0B-3up4A:
7.0		 1pn0B-3up4A:
22.27
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.
2Q2H_B_ACTB501_0
(SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE)		 5fql IDURONATE-2-SULFATAS
E
(Homo
sapiens) 		3 / 3 ARG A 110
SER A 152
TYR A 108
 NAG  A1552 ( 4.9A)
None
NAG  A1555 (-4.0A)
 0.79A 2q2hA-5fqlA:
undetectable
2q2hB-5fqlA:
undetectable		 2q2hA-5fqlA:
14.43
2q2hB-5fqlA:
14.43
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.
2QD3_A_CHDA502_0
(FERROCHELATASE)		 4ap3 STEROID
MONOOXYGENASE
(Rhodococcus
rhodochrous) 		4 / 8 ARG A 123
SER A 455
VAL A  27
GLY A  28
 FAD  A1552 (-4.0A)
FAD  A1552 ( 4.5A)
None
FAD  A1552 (-3.1A)
 1.03A 2qd3A-4ap3A:
2.8		 2qd3A-4ap3A:
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.
2VDB_A_NPSA1591_1
(SERUM ALBUMIN)		 4dws CHI2
(Yersinia
entomophaga) 		4 / 8 ILE A 435
PHE A 548
LEU A 491
GLY A 553
 None
None
None
MLY  A 552 ( 2.4A)
 0.96A 2vdbA-4dwsA:
undetectable		 2vdbA-4dwsA:
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.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		 4ap3 STEROID
MONOOXYGENASE
(Rhodococcus
rhodochrous) 		5 / 10 LEU A  85
LEU A 105
VAL A 108
SER A 455
PHE A  81
 None
None
None
FAD  A1552 ( 4.5A)
None
 1.14A 2w9gA-4ap3A:
undetectable		 2w9gA-4ap3A:
13.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2XFF_A_QPSA600_1
(BETA-AMYLASE)		 1b1y PROTEIN
(BETA-AMYLASE)
(Hordeum
vulgare) 		11 / 12 ALA A 182
GLU A 184
ARG A 186
TYR A 190
GLN A 192
TRP A 196
PHE A 198
GLY A 296
HIS A 298
THR A 340
MET A 344
 BGC  A 551 ( 3.5A)
BGC  A 551 (-4.1A)
None
None
BGC  A 552 (-3.6A)
None
BGC  A 552 (-4.0A)
None
BGC  A 552 (-4.1A)
BGC  A 551 (-3.1A)
BGC  A 552 ( 4.6A)
 0.75A 2xffA-1b1yA:
62.7		 2xffA-1b1yA:
97.02
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.
2YA7_C_ZMRC1776_2
(NEURAMINIDASE A)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		4 / 6 ARG A 282
ASP A 209
GLU A 155
TYR A 161
 None
CA  A1525 (-3.4A)
None
EDO  A 552 (-4.9A)
 1.31A 2ya7C-2yeqA:
undetectable		 2ya7C-2yeqA:
20.21
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		 2ze0 ALPHA-GLUCOSIDASE
(Geobacillus
sp.
HTA-462) 		4 / 8 ASP A  25
PHE A  75
ASP A  21
GLY A  26
 CA  A 552 (-2.7A)
None
CA  A 552 (-3.1A)
None
 0.90A 3c0zB-2ze0A:
undetectable		 3c0zB-2ze0A:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKW_B_DR7B100_2
(PROTEASE)		 3up4 OTEMO
(Pseudomonas
putida) 		5 / 12 GLY A 192
ALA A 386
ILE A 383
ALA A 204
ILE A 200
 NAP  A 552 (-3.4A)
None
None
None
None
 0.98A 3ekwB-3up4A:
undetectable		 3ekwB-3up4A:
11.81
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.
3EKY_A_DR7A100_2
(PROTEASE)		 2ze0 ALPHA-GLUCOSIDASE
(Geobacillus
sp.
HTA-462) 		5 / 9 ASP A  80
ILE A  33
GLY A  28
ILE A  27
ILE A  53
 None
None
CA  A 552 ( 4.7A)
CA  A 552 (-4.7A)
None
 1.11A 3ekyB-2ze0A:
undetectable		 3ekyB-2ze0A:
10.35
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.
3HAV_A_SRYA403_1
(AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		4 / 8 ASP A  37
ASP A  39
ASP A  33
ASP A 182
 CA  A1552 ( 3.2A)
None
None
None
 1.05A 3havA-2bibA:
undetectable		 3havA-2bibA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAY_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		 3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT
(Alcaligenes
faecalis;
Alcaligenes
faecalis) 		3 / 3 ARG B 141
ASP B  73
ASP A 149
 None
CA  B 552 (-2.7A)
None
 0.80A 3jayA-3ml0B:
undetectable		 3jayA-3ml0B:
19.05
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.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3up4 OTEMO
(Pseudomonas
putida) 		5 / 12 VAL A 188
LEU A 211
SER A 167
PHE A 165
GLY A 180
 None
None
NAP  A 552 ( 4.9A)
None
None
 1.13A 3kk6A-3up4A:
undetectable		 3kk6A-3up4A:
21.85
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.
3KK6_B_CELB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3up4 OTEMO
(Pseudomonas
putida) 		5 / 12 VAL A 188
LEU A 211
SER A 167
PHE A 165
GLY A 180
 None
None
NAP  A 552 ( 4.9A)
None
None
 1.13A 3kk6B-3up4A:
undetectable		 3kk6B-3up4A:
21.85
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.
3L2U_A_ELVA397_1
(INTEGRASE)		 3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT
(Alcaligenes
faecalis) 		4 / 5 ASP B  76
ASP B  73
TYR B 254
GLU A 153
 CA  B 552 (-3.4A)
CA  B 552 (-2.7A)
None
CA  B 552 (-3.2A)
 1.37A 3l2uA-3ml0B:
undetectable		 3l2uA-3ml0B:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L2V_A_RLTA397_1
(INTEGRASE)		 3ml0 PENICILLIN G
ACYLASE, BETA
SUBUNIT
(Alcaligenes
faecalis) 		4 / 7 ASP B  76
ASP B  73
GLN B  72
GLN B 198
 CA  B 552 (-3.4A)
CA  B 552 (-2.7A)
None
None
 1.25A 3l2vA-3ml0B:
undetectable		 3l2vA-3ml0B:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3L2W_A_ELVA397_1
(INTEGRASE)		 3ml0 PENICILLIN G
ACYLASE, ALPHA
SUBUNIT
PENICILLIN G
ACYLASE, BETA
SUBUNIT
(Alcaligenes
faecalis) 		4 / 5 ASP B  76
ASP B  73
TYR B 254
GLU A 153
 CA  B 552 (-3.4A)
CA  B 552 (-2.7A)
None
CA  B 552 (-3.2A)
 1.39A 3l2wA-3ml0B:
undetectable		 3l2wA-3ml0B:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 5wo6 TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 6
(Rattus
norvegicus) 		5 / 12 GLY A 448
VAL A 437
MET A 434
ILE A 556
PHE A 552
 GLY  A 448 ( 0.0A)
VAL  A 437 ( 0.6A)
MET  A 434 ( 0.0A)
ILE  A 556 ( 0.7A)
PHE  A 552 ( 1.3A)
 1.41A 3mnoA-5wo6A:
undetectable		 3mnoA-5wo6A:
15.90
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.
3NDX_A_RITA100_1
(PROTEASE)		 2ze0 ALPHA-GLUCOSIDASE
(Geobacillus
sp.
HTA-462) 		5 / 12 ASP A  80
ILE A  33
GLY A  28
ILE A  27
ILE A  53
 None
None
CA  A 552 ( 4.7A)
CA  A 552 (-4.7A)
None
 1.07A 3ndxA-2ze0A:
undetectable		 3ndxA-2ze0A:
11.39
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.
3OWX_B_XRAB233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4ap3 STEROID
MONOOXYGENASE
(Rhodococcus
rhodochrous) 		5 / 11 VAL A 153
PHE A 120
GLY A  58
GLY A  57
ILE A  31
 None
None
FAD  A1552 (-3.1A)
None
FAD  A1552 (-3.9A)
 1.30A 3owxA-4ap3A:
undetectable
3owxB-4ap3A:
4.1		 3owxA-4ap3A:
18.13
3owxB-4ap3A:
18.13
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.
3PFG_A_SAMA264_0
(N-METHYLTRANSFERASE)		 5all SOLUBLE EPOXIDE
HYDROLASE
(Homo
sapiens) 		5 / 12 GLY A 337
LEU A 358
SER A 357
PHE A 267
HIS A 524
 None
None
None
None
II6  A1552 (-3.6A)
 1.39A 3pfgA-5allA:
undetectable		 3pfgA-5allA:
17.50
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.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 1un9 DIHYDROXYACETONE
KINASE
(Citrobacter
freundii) 		3 / 3 GLY A 384
GLY A 386
THR A 388
 MG  A1552 ( 4.8A)
None
ANP  A1551 (-3.7A)
 0.36A 3si7B-1un9A:
undetectable		 3si7B-1un9A:
19.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_D_CLMD221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 2fl1 RED FLUORESCENT
PROTEIN ZOANRFP
(Zoanthus
sp.) 		5 / 12 THR A 142
SER A  57
PHE A  99
ALA A 103
CYH A 105
 None
SO4  A 552 ( 4.6A)
None
None
None
 1.29A 3u9fD-2fl1A:
undetectable
3u9fE-2fl1A:
undetectable		 3u9fD-2fl1A:
18.40
3u9fE-2fl1A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UG8_A_IMNA2001_2
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		3 / 3 TYR A 161
GLU A 212
TYR A 152
 EDO  A 552 (-4.9A)
None
None
 0.94A 3ug8A-2yeqA:
undetectable		 3ug8A-2yeqA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 4ap3 STEROID
MONOOXYGENASE
(Rhodococcus
rhodochrous) 		5 / 12 TRP A  62
GLY A  28
GLY A  30
ILE A  37
ALA A  52
 FAD  A1552 (-4.0A)
FAD  A1552 (-3.1A)
FAD  A1552 (-3.5A)
None
FAD  A1552 (-3.7A)
 1.06A 4a6dA-4ap3A:
undetectable		 4a6dA-4ap3A:
21.79
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.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		5 / 10 GLY A  92
ASP A  89
GLY A  35
HIS A  85
HIS A 229
 CA  A1552 (-4.4A)
ZN  A1549 ( 2.5A)
None
ZN  A1550 (-3.3A)
ZN  A1549 ( 3.2A)
 1.08A 4c5nB-2bibA:
undetectable		 4c5nB-2bibA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_B_PXLB300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		5 / 10 GLY A  92
ASP A  89
GLY A  35
HIS A  87
VAL A  83
 CA  A1552 (-4.4A)
ZN  A1549 ( 2.5A)
None
ZN  A1550 ( 3.1A)
None
 1.31A 4c5nB-2bibA:
undetectable		 4c5nB-2bibA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C5N_D_UEGD300_1
(PHOSPHOMETHYLPYRIMID
INE KINASE)		 2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN
(Streptococcus
pneumoniae) 		5 / 10 GLY A  92
ASP A  89
GLY A  35
VAL A  83
HIS A 229
 CA  A1552 (-4.4A)
ZN  A1549 ( 2.5A)
None
None
ZN  A1549 ( 3.2A)
 1.26A 4c5nD-2bibA:
undetectable		 4c5nD-2bibA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		 3ddu PROLYL ENDOPEPTIDASE
(Homo
sapiens) 		5 / 12 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.
4FGL_B_CLQB303_0
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3ddu PROLYL ENDOPEPTIDASE
(Homo
sapiens) 		5 / 11 HIS A 515
PHE A 476
ILE A 478
GLY A 556
GLY A 553
 None
552  A 901 (-3.5A)
None
None
None
 1.40A 4fglA-3dduA:
undetectable
4fglB-3dduA:
undetectable		 4fglA-3dduA:
15.77
4fglB-3dduA:
15.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4J03_A_FVSA603_1
(BIFUNCTIONAL EPOXIDE
HYDROLASE 2)		 5all SOLUBLE EPOXIDE
HYDROLASE
(Homo
sapiens) 		12 / 12 ASP A 335
TYR A 343
ILE A 363
PHE A 381
TYR A 383
PHE A 387
LEU A 408
LEU A 428
TYR A 466
LEU A 499
HIS A 524
TRP A 525
 II6  A1552 ( 3.0A)
None
None
None
II6  A1552 (-4.2A)
None
None
None
SO4  A1550 ( 4.8A)
SO4  A1550 (-4.8A)
II6  A1552 (-3.6A)
II6  A1552 ( 4.7A)
 0.44A 4j03A-5allA:
56.8		 4j03A-5allA:
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.
4KYK_B_IMNB300_1
(LACTOYLGLUTATHIONE
LYASE)		 3ddu PROLYL ENDOPEPTIDASE
(Homo
sapiens) 		5 / 12 PHE A 476
PHE A 586
GLY A 552
LEU A 558
PHE A 527
 552  A 901 (-3.5A)
None
None
None
None
 1.16A 4kykA-3dduA:
2.7
4kykB-3dduA:
1.5		 4kykA-3dduA:
13.66
4kykB-3dduA:
13.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MK4_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		 3ddu PROLYL ENDOPEPTIDASE
(Homo
sapiens) 		4 / 6 PHE A 173
MET A 235
ILE A 591
ARG A 643
 552  A 901 (-3.5A)
552  A 901 (-3.6A)
552  A 901 ( 4.2A)
552  A 901 (-3.9A)
 1.31A 4mk4B-3dduA:
4.3		 4mk4B-3dduA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OBW_A_SAMA602_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 4ap3 STEROID
MONOOXYGENASE
(Rhodococcus
rhodochrous) 		5 / 12 ASN A  63
GLY A 203
SER A 201
ILE A 197
GLY A 195
 FAD  A1552 (-4.4A)
None
NAP  A1553 (-2.9A)
None
None
 1.01A 4obwA-4ap3A:
2.1		 4obwA-4ap3A:
19.02
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.
4OBW_C_SAMC601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 4ap3 STEROID
MONOOXYGENASE
(Rhodococcus
rhodochrous) 		5 / 12 ASN A  63
GLY A 203
SER A 201
ILE A 197
GLY A 195
 FAD  A1552 (-4.4A)
None
NAP  A1553 (-2.9A)
None
None
 1.04A 4obwC-4ap3A:
undetectable		 4obwC-4ap3A:
19.02
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.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis) 		4 / 7 SER A  88
ASP A 242
ARG A 247
GLY A 326
 None
MG  A 552 (-2.4A)
G6Q  A 544 (-3.2A)
None
 0.98A 5btaA-4hjhA:
3.2
5btaC-4hjhA:
3.2
5btaD-4hjhA:
undetectable		 5btaA-4hjhA:
23.19
5btaC-4hjhA:
23.19
5btaD-4hjhA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEN_A_5OGA804_1
(HDAC6 PROTEIN)		 5all SOLUBLE EPOXIDE
HYDROLASE
(Homo
sapiens) 		5 / 12 SER A 273
HIS A 334
ASP A 496
HIS A 524
GLY A 523
 None
None
None
II6  A1552 (-3.6A)
None
 1.31A 5eenA-5allA:
undetectable		 5eenA-5allA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		 4hjh PHOSPHOMANNOMUTASE
(Brucella
melitensis) 		3 / 3 ARG A 445
ASN A 440
ASP A 244
 G6Q  A 544 (-4.0A)
G6Q  A 544 ( 3.6A)
MG  A 552 (-2.7A)
 0.90A 5gwxA-4hjhA:
undetectable		 5gwxA-4hjhA:
20.13
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.
5LJB_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 3up4 OTEMO
(Pseudomonas
putida) 		4 / 8 LEU A 146
ILE A 200
THR A 196
TRP A 170
 NAP  A 552 (-4.2A)
None
NAP  A 552 (-3.5A)
None
 1.04A 5ljbA-3up4A:
undetectable		 5ljbA-3up4A:
12.99
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.
5LJE_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 1)		 3up4 OTEMO
(Pseudomonas
putida) 		4 / 6 LEU A 146
ILE A 200
THR A 196
TRP A 170
 NAP  A 552 (-4.2A)
None
NAP  A 552 (-3.5A)
None
 1.08A 5ljeA-3up4A:
undetectable		 5ljeA-3up4A:
13.17
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.
6GNE_A_ACRA602_1
(-)		 2yeq ALKALINE PHOSPHATASE
D
(Bacillus
subtilis) 		5 / 12 GLY A 166
VAL A 462
ASN A 415
GLN A 126
GLY A 413
 PE5  A 558 ( 3.7A)
None
EDO  A 533 ( 4.7A)
None
EDO  A 552 ( 3.8A)
 1.19A 6gneA-2yeqA:
undetectable		 6gneA-2yeqA:
24.01