SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3t8l'

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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  92
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.2A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 0.95A 1a4lA-3t8lA:
16.8		 1a4lA-3t8lA:
21.17
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.
1A4L_A_DCFA353_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.09A 1a4lA-3t8lA:
16.8		 1a4lA-3t8lA:
21.17
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.
1A4L_C_DCFC1353_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		6 / 12 HIS A  92
HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 1a4lC-3t8lA:
16.7		 1a4lC-3t8lA:
21.17
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.
1A4L_D_DCFD1853_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 1a4lD-3t8lA:
16.6		 1a4lD-3t8lA:
21.17
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.
1E7B_A_HLTA4001_1
(SERUM ALBUMIN)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 5 ARG A 344
ALA A 345
ASP A 335
GLY A 342
 None
 1.03A 1e7bA-3t8lA:
undetectable		 1e7bA-3t8lA:
21.66
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.
1I9G_A_SAMA301_0
(HYPOTHETICAL PROTEIN
RV2118C)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 ILE A 204
GLY A 184
ALA A 207
LEU A 173
VAL A 118
 None
 1.20A 1i9gA-3t8lA:
undetectable		 1i9gA-3t8lA:
19.58
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 GLU A 187
HIS A 239
HIS A  92
HIS A  94
ASP A 290
 UNX  A 606 ( 2.6A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
None
 1.34A 1ituA-3t8lA:
4.0		 1ituA-3t8lA:
23.51
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.
1ITU_B_CILB452_1
(RENAL DIPEPTIDASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 GLU A 187
HIS A 239
HIS A  92
HIS A  94
ASP A 290
 UNX  A 606 ( 2.6A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
None
 1.34A 1ituB-3t8lA:
4.3		 1ituB-3t8lA:
23.51
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.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 THR A  91
HIS A  92
GLU A 258
HIS A 239
GLU A 187
 None
UNX  A 608 ( 3.2A)
None
UNX  A 606 ( 3.6A)
UNX  A 606 ( 2.6A)
 1.25A 1j36A-3t8lA:
undetectable		 1j36A-3t8lA:
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.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 THR A  91
HIS A  92
GLU A 258
HIS A 239
GLU A 187
 None
UNX  A 608 ( 3.2A)
None
UNX  A 606 ( 3.6A)
UNX  A 606 ( 2.6A)
 1.25A 1j36B-3t8lA:
undetectable		 1j36B-3t8lA:
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.
1NT2_A_SAMA301_1
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 THR A 283
GLU A 258
ASP A 120
 None
 0.76A 1nt2A-3t8lA:
undetectable		 1nt2A-3t8lA:
15.16
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A 289
HIS A 218
ASP A 238
 UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.2A)
None
 0.86A 1nw5A-3t8lA:
undetectable		 1nw5A-3t8lA:
19.80
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.
1OE1_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A 120
HIS A 122
HIS A  94
 None
UNX  A 607 ( 3.5A)
UNX  A 608 ( 3.4A)
 0.68A 1oe1A-3t8lA:
undetectable		 1oe1A-3t8lA:
21.40
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.
1OE2_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 GLU A 123
HIS A  94
HIS A 122
 UNX  A 607 ( 1.9A)
UNX  A 608 ( 3.4A)
UNX  A 607 ( 3.5A)
 0.69A 1oe2A-3t8lA:
undetectable		 1oe2A-3t8lA:
21.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE3_A_CUA502_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A 120
HIS A 122
HIS A  94
 None
UNX  A 607 ( 3.5A)
UNX  A 608 ( 3.4A)
 0.67A 1oe3A-3t8lA:
undetectable		 1oe3A-3t8lA:
21.40
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.32A 1v7zC-3t8lA:
undetectable		 1v7zC-3t8lA:
18.95
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.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.38A 1v7zC-3t8lA:
undetectable		 1v7zC-3t8lA:
18.95
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.30A 1v7zE-3t8lA:
undetectable		 1v7zE-3t8lA:
18.95
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.
1V7Z_E_CRNE6401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.37A 1v7zE-3t8lA:
undetectable		 1v7zE-3t8lA:
18.95
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.30A 1v7zF-3t8lA:
undetectable		 1v7zF-3t8lA:
18.95
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.
1V7Z_F_CRNF7401_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.37A 1v7zF-3t8lA:
undetectable		 1v7zF-3t8lA:
18.95
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.
2HTU_A_BCZA801_1
(NEURAMINIDASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 4 ARG A 260
ASP A 290
GLU A 187
ARG A 220
 None
None
UNX  A 606 ( 2.6A)
None
 1.44A 2htuA-3t8lA:
undetectable		 2htuA-3t8lA:
21.60
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.
2IGT_A_SAMA1001_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A  72
ASP A  33
ASP A  29
 None
 0.70A 2igtA-3t8lA:
undetectable		 2igtA-3t8lA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_B_SAMB1002_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A  72
ASP A  33
ASP A  29
 None
 0.67A 2igtB-3t8lA:
undetectable		 2igtB-3t8lA:
19.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PGF_A_ADNA501_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 0.99A 2pgfA-3t8lA:
15.6		 2pgfA-3t8lA:
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.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		6 / 12 HIS A  92
HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 0.97A 2pgrA-3t8lA:
15.5		 2pgrA-3t8lA:
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.
2RK8_A_PPFA3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 8 ARG A 146
LYS A   9
SER A 364
ASP A  12
 None
 1.41A 2rk8A-3t8lA:
undetectable		 2rk8A-3t8lA:
22.71
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.
2RK8_B_PPFB3969_1
(PHOSPHOENOLPYRUVATE
CARBOXYKINASE,
CYTOSOLIC [GTP])		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 7 ARG A 146
LYS A   9
SER A 364
ASP A  12
 None
 1.31A 2rk8B-3t8lA:
undetectable		 2rk8B-3t8lA:
22.71
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.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 8 GLY A 125
HIS A 128
ILE A 172
ALA A 136
 None
 0.92A 2x0pA-3t8lA:
undetectable		 2x0pA-3t8lA:
22.87
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.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 VAL A 445
PHE A 485
THR A 462
TRP A 464
ALA A 564
 None
 1.07A 2x2iA-3t8lA:
6.2		 2x2iA-3t8lA:
20.67
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.
2X2I_C_QPSC1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 VAL A 445
PHE A 485
THR A 462
TRP A 464
ALA A 564
 None
 1.18A 2x2iC-3t8lA:
4.2		 2x2iC-3t8lA:
20.67
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.
2XXG_A_CUA1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A 120
HIS A 122
HIS A  94
 None
UNX  A 607 ( 3.5A)
UNX  A 608 ( 3.4A)
 0.69A 2xxgA-3t8lA:
undetectable		 2xxgA-3t8lA:
21.40
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.
2Z0Y_B_SAMB400_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		6 / 9 ALA A  62
VAL A  57
GLY A  58
GLY A 365
ILE A  36
LEU A  35
 None
 1.04A 2z0yB-3t8lA:
undetectable		 2z0yB-3t8lA:
19.24
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.
2ZIF_B_SAMB298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 SER A 444
ALA A 489
PHE A 485
GLY A 487
VAL A 548
 None
 1.12A 2zifB-3t8lA:
undetectable		 2zifB-3t8lA:
19.12
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.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 10 GLY A 244
ALA A 272
PHE A 270
LEU A 259
ARG A 260
 None
 1.15A 3a3yA-3t8lA:
undetectable		 3a3yA-3t8lA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.32A 3a6jA-3t8lA:
undetectable		 3a6jA-3t8lA:
18.95
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.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.35A 3a6jA-3t8lA:
undetectable		 3a6jA-3t8lA:
18.95
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 7 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.34A 3a6jB-3t8lA:
undetectable		 3a6jB-3t8lA:
18.95
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 7 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.37A 3a6jB-3t8lA:
undetectable		 3a6jB-3t8lA:
18.95
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.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 7 GLU A 187
HIS A  94
ASP A 289
HIS A 239
 UNX  A 606 ( 2.6A)
UNX  A 608 ( 3.4A)
UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.6A)
 0.95A 3a6jB-3t8lA:
undetectable		 3a6jB-3t8lA:
18.95
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.33A 3a6jC-3t8lA:
undetectable		 3a6jC-3t8lA:
18.95
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.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.37A 3a6jC-3t8lA:
undetectable		 3a6jC-3t8lA:
18.95
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
ASP A 478
HIS A 477
HIS A  94
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 2.6A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
 1.34A 3a6jE-3t8lA:
undetectable		 3a6jE-3t8lA:
18.95
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 8 GLU A 123
HIS A 122
HIS A 477
HIS A  94
GLU A 187
 UNX  A 607 ( 1.9A)
UNX  A 607 ( 3.5A)
UNX  A 607 ( 3.3A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 2.6A)
 1.36A 3a6jE-3t8lA:
undetectable		 3a6jE-3t8lA:
18.95
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.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 8 GLU A 187
HIS A  94
ASP A 289
HIS A 239
 UNX  A 606 ( 2.6A)
UNX  A 608 ( 3.4A)
UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.6A)
 0.97A 3a6jE-3t8lA:
undetectable		 3a6jE-3t8lA:
18.95
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.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 11 LEU A 336
GLY A 337
ILE A 339
SER A  85
PRO A  86
 None
 1.29A 3bjwH-3t8lA:
undetectable		 3bjwH-3t8lA:
11.20
Potential target for repurposing, i.e. matched protein structure has less than 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_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 5 HIS A 239
HIS A 218
ASP A 289
ASP A 290
 UNX  A 606 ( 3.6A)
UNX  A 606 ( 3.2A)
UNX  A 608 ( 2.4A)
None
 1.16A 3c0zA-3t8lA:
undetectable		 3c0zA-3t8lA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 HIS A 239
HIS A 218
ASP A 289
ASP A 290
 UNX  A 606 ( 3.6A)
UNX  A 606 ( 3.2A)
UNX  A 608 ( 2.4A)
None
 1.17A 3c0zC-3t8lA:
undetectable		 3c0zC-3t8lA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_A_CHDA200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 5 PRO A 316
THR A 115
VAL A 114
GLY A 113
 None
 1.08A 3elzA-3t8lA:
undetectable		 3elzA-3t8lA:
11.63
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.
3ETE_C_H3PC554_1
(GLUTAMATE
DEHYDROGENASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 5 ILE A 195
MET A 201
ILE A 188
HIS A 218
 None
None
None
UNX  A 606 ( 3.2A)
 1.24A 3eteB-3t8lA:
undetectable
3eteC-3t8lA:
undetectable		 3eteB-3t8lA:
23.24
3eteC-3t8lA:
23.24
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.
3G4L_A_ROFA901_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A  15
LEU A  18
GLN A  30
 None
 0.77A 3g4lA-3t8lA:
undetectable		 3g4lA-3t8lA:
21.28
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.
3GLQ_B_RABB602_2
(ADENOSYLHOMOCYSTEINA
SE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 5 GLN A 574
THR A 565
GLU A 162
HIS A 449
 None
 1.44A 3glqB-3t8lA:
undetectable		 3glqB-3t8lA:
22.92
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.
3I5U_B_SAMB401_1
(O-METHYLTRANSFERASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 ASP A 295
PHE A 538
SER A  97
 None
 0.82A 3i5uB-3t8lA:
2.0		 3i5uB-3t8lA:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 8 LYS A 559
HIS A 263
ASP A 478
ASP A 290
 None
None
UNX  A 607 ( 2.6A)
None
 0.96A 3n2oC-3t8lA:
8.6
3n2oD-3t8lA:
7.7		 3n2oC-3t8lA:
23.33
3n2oD-3t8lA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8X_B_NIMB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 VAL A 109
VAL A 291
SER A  98
 None
 0.60A 3n8xB-3t8lA:
undetectable		 3n8xB-3t8lA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 HIS A 218
ARG A 260
HIS A 239
ASP A 290
 UNX  A 606 ( 3.2A)
None
UNX  A 606 ( 3.6A)
None
 1.11A 3nvcA-3t8lA:
undetectable		 3nvcA-3t8lA:
22.24
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.
3SI7_A_ACTA4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 4 LEU A 520
GLY A 524
GLY A 505
THR A 473
 None
 0.84A 3si7A-3t8lA:
undetectable		 3si7A-3t8lA:
17.02
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.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 5 LEU A 520
GLY A 524
GLY A 505
THR A 473
 None
 0.81A 3si7C-3t8lA:
undetectable
3si7D-3t8lA:
undetectable		 3si7C-3t8lA:
17.02
3si7D-3t8lA:
17.02
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.
3SPK_B_TPVB100_1
(HIV-1 PROTEASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 9 LEU A 302
ALA A 327
VAL A 118
ILE A 257
THR A 288
 None
 1.11A 3spkA-3t8lA:
undetectable		 3spkA-3t8lA:
9.45
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.
3ZOD_A_HQEA1173_1
(FMN-BINDING PROTEIN)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 7 ASP A 289
ARG A 220
HIS A 263
HIS A  94
 UNX  A 608 ( 2.4A)
None
None
UNX  A 608 ( 3.4A)
 1.28A 3zodA-3t8lA:
undetectable		 3zodA-3t8lA:
15.03
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.
4A6E_A_SAMA1349_1
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 TYR A 105
ASP A  90
ASP A 120
 None
 0.87A 4a6eA-3t8lA:
undetectable		 4a6eA-3t8lA:
22.29
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 HIS A 239
HIS A 122
ASP A 304
ASP A 290
 UNX  A 606 ( 3.6A)
UNX  A 607 ( 3.5A)
None
None
 1.13A 4blvA-3t8lA:
undetectable		 4blvA-3t8lA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H9M_A_HAEA929_1
(UREASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 5 HIS A  92
HIS A 218
HIS A 239
ASP A 289
 UNX  A 608 ( 3.2A)
UNX  A 606 ( 3.2A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
 0.97A 4h9mA-3t8lA:
21.7		 4h9mA-3t8lA:
23.00
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.
4L1A_A_AB1A101_1
(MDR769 HIV-1
PROTEASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 11 ARG A  50
GLY A  38
ALA A  79
ASP A  78
VAL A  84
 None
 1.14A 4l1aA-3t8lA:
undetectable		 4l1aA-3t8lA:
9.63
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.
4MMC_A_29JA604_1
(TRANSPORTER)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 7 ILE A  54
LEU A  41
ASP A  43
THR A 324
 None
 1.05A 4mmcA-3t8lA:
undetectable		 4mmcA-3t8lA:
23.30
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.
4MX0_A_BCZA513_0
(NEURAMINIDASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 LEU A 375
ARG A 359
GLU A 370
ALA A  82
GLU A 351
 None
 1.39A 4mx0A-3t8lA:
undetectable		 4mx0A-3t8lA:
19.51
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.
4NPT_A_017A401_1
(PROTEASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 9 ALA A 495
ILE A 500
GLY A 501
MET A 390
VAL A 484
 None
 1.16A 4nptA-3t8lA:
undetectable		 4nptA-3t8lA:
10.99
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.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 6 HIS A  92
HIS A  94
HIS A 218
HIS A 239
ASP A 289
 UNX  A 608 ( 3.2A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.2A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
 1.01A 4ubpC-3t8lA:
20.2		 4ubpC-3t8lA:
25.67
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 7 HIS A 480
GLY A 125
ASN A 126
HIS A 122
 None
None
None
UNX  A 607 ( 3.5A)
 1.38A 5a5zC-3t8lA:
undetectable		 5a5zC-3t8lA:
19.90
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 7 MET A 189
HIS A 480
GLY A 125
ASN A 126
 None
 1.31A 5a5zC-3t8lA:
undetectable		 5a5zC-3t8lA:
19.90
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.
5JW1_B_CELB602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 VAL A 109
VAL A 291
SER A  98
PHE A 538
 None
 0.94A 5jw1B-3t8lA:
0.0		 5jw1B-3t8lA:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LG3_A_Z80A401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 11 ILE A  56
ILE A 347
GLU A 370
ILE A  77
ALA A  79
 None
 1.12A 5lg3A-3t8lA:
undetectable		 5lg3A-3t8lA:
20.10
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.
5LG3_A_Z80A401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 11 ILE A  56
ILE A 347
VAL A  34
GLU A 370
ALA A  79
 None
 1.12A 5lg3A-3t8lA:
undetectable		 5lg3A-3t8lA:
20.10
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.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 ASP A 120
HIS A 122
HIS A  94
HIS A 239
 None
UNX  A 607 ( 3.5A)
UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.6A)
 0.92A 5ncdA-3t8lA:
2.4
5ncdD-3t8lA:
undetectable		 5ncdA-3t8lA:
16.50
5ncdD-3t8lA:
16.50
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.
5NCD_A_ACTA301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 ASP A 289
HIS A 239
HIS A  92
HIS A 122
 UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 3.2A)
UNX  A 607 ( 3.5A)
 0.88A 5ncdA-3t8lA:
2.4
5ncdD-3t8lA:
undetectable		 5ncdA-3t8lA:
16.50
5ncdD-3t8lA:
16.50
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.
5NCD_C_ACTC301_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 HIS A 122
ASP A 289
HIS A 239
HIS A  92
 UNX  A 607 ( 3.5A)
UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 3.2A)
 0.92A 5ncdB-3t8lA:
4.2
5ncdC-3t8lA:
2.5		 5ncdB-3t8lA:
16.50
5ncdC-3t8lA:
16.50
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.
5NEL_A_ACTA302_0
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 6 ASP A 289
HIS A 239
HIS A  92
HIS A 122
 UNX  A 608 ( 2.4A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 3.2A)
UNX  A 607 ( 3.5A)
 0.91A 5nelA-3t8lA:
4.3
5nelD-3t8lA:
3.9		 5nelA-3t8lA:
16.50
5nelD-3t8lA:
16.50
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.
5OEX_B_CUB601_0
(THIOCYANATE
DEHYDROGENASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 HIS A 239
ASP A 289
HIS A  94
 UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
UNX  A 608 ( 3.4A)
 0.78A 5oexB-3t8lA:
undetectable		 5oexB-3t8lA:
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.
5OEX_C_CUC601_0
(THIOCYANATE
DEHYDROGENASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 HIS A 239
ASP A 289
HIS A  94
 UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
UNX  A 608 ( 3.4A)
 0.74A 5oexC-3t8lA:
undetectable		 5oexC-3t8lA:
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.
5OEX_D_CUD601_0
(THIOCYANATE
DEHYDROGENASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 HIS A 239
ASP A 289
HIS A  94
 UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
UNX  A 608 ( 3.4A)
 0.74A 5oexD-3t8lA:
undetectable		 5oexD-3t8lA:
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.
5XV7_A_EMHA705_2
(SERINE-ARGININE (SR)
PROTEIN KINASE 1)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 4 VAL A 385
LEU A 386
LEU A 522
ASP A 528
 None
 1.39A 5xv7A-3t8lA:
undetectable		 5xv7A-3t8lA:
9.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 10 LEU A 277
ILE A 257
LEU A 241
LEU A 267
LEU A 314
 None
 1.26A 5y7pG-3t8lA:
undetectable		 5y7pG-3t8lA:
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.
6ECF_I_DVAI3010_0
(VLM2
DODECADEPSIPEPTIDE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		3 / 3 PHE A 419
ARG A 220
ALA A 560
 None
 0.87A 6ecfB-3t8lA:
undetectable		 6ecfB-3t8lA:
19.87
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.
6FBV_D_FI8D1904_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		4 / 8 ASP A 289
GLU A  96
VAL A 133
ARG A 448
 UNX  A 608 ( 2.4A)
None
None
None
 1.16A 6fbvD-3t8lA:
undetectable		 6fbvD-3t8lA:
19.30
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.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 6n91A-3t8lA:
16.2		 6n91A-3t8lA:
8.98
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.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 3t8l ADENINE DEAMINASE 2
(Agrobacterium
fabrum) 		5 / 12 HIS A  94
GLU A 240
HIS A 239
ASP A 289
ASP A 290
 UNX  A 608 ( 3.4A)
UNX  A 606 ( 3.0A)
UNX  A 606 ( 3.6A)
UNX  A 608 ( 2.4A)
None
 1.07A 6n91B-3t8lA:
16.1		 6n91B-3t8lA:
8.98