Receptor
PDB id Resolution Class Description Source Keywords
1S2D 2.1 Å EC: 2.4.2.6 PURINE 2'-DEOXYRIBOSYL COMPLEX WITH ARABINOSIDE: RIBOSYLATED INTERMEDIATE (ARAA) LACTOBACILLUS HELVETICUS RIBOSYLATE INTERMEDIATE PTD ARAA TRANSFERASE
Ref.: STRUCTURES OF PURINE 2'-DEOXYRIBOSYLTRANSFERASE, SU COMPLEXES, AND THE RIBOSYLATED ENZYME INTERMEDIATE RESOLUTION. BIOCHEMISTRY V. 43 2384 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADE A:1245;
B:1246;
C:1247;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
135.127 C5 H5 N5 c1[nH...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1S2D 2.1 Å EC: 2.4.2.6 PURINE 2'-DEOXYRIBOSYL COMPLEX WITH ARABINOSIDE: RIBOSYLATED INTERMEDIATE (ARAA) LACTOBACILLUS HELVETICUS RIBOSYLATE INTERMEDIATE PTD ARAA TRANSFERASE
Ref.: STRUCTURES OF PURINE 2'-DEOXYRIBOSYLTRANSFERASE, SU COMPLEXES, AND THE RIBOSYLATED ENZYME INTERMEDIATE RESOLUTION. BIOCHEMISTRY V. 43 2384 2004
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1S2D - ADE C5 H5 N5 c1[nH]c2c(....
2 1S2I - BP1 C5 H3 Br N4 c1[nH]c2c(....
3 1S2G - 3D1 C10 H13 N5 O3 c1nc(c2c(n....
4 1S3F - SNI C10 H12 N4 O4 Se c1nc2c(n1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1S2D - ADE C5 H5 N5 c1[nH]c2c(....
2 1S2I - BP1 C5 H3 Br N4 c1[nH]c2c(....
3 1S2G - 3D1 C10 H13 N5 O3 c1nc(c2c(n....
4 1S3F - SNI C10 H12 N4 O4 Se c1nc2c(n1[....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1S2D - ADE C5 H5 N5 c1[nH]c2c(....
2 1S2I - BP1 C5 H3 Br N4 c1[nH]c2c(....
3 1S2G - 3D1 C10 H13 N5 O3 c1nc(c2c(n....
4 1S3F - SNI C10 H12 N4 O4 Se c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 ADE 1 1
2 PM6 0.5 0.742857
3 ES4 0.463415 0.685714
4 6AP 0.428571 0.9375
5 XQG 0.422222 0.648649
6 M02 0.411765 0.630435
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1S2D; Ligand: ADE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1s2d.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1S2D; Ligand: ADE; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1s2d.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1S2D; Ligand: ADE; Similar sites found: 83
This union binding pocket(no: 3) in the query (biounit: 1s2d.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VKL MLT 0.004221 0.45227 None
2 1SS4 CIT 0.02591 0.44821 None
3 1TUV VK3 0.0145 0.41708 None
4 1UO5 PIH 0.03028 0.41588 None
5 1UO4 PIH 0.03534 0.4046 None
6 2BZ1 TAU 0.02852 0.4173 1.79641
7 3R51 MMA 0.006656 0.43373 1.875
8 1YOA FMN 0.01347 0.43503 1.88679
9 4F8L GAL 0.02562 0.41984 2.06897
10 1C1L GAL BGC 0.01734 0.40061 2.18978
11 4JCA CIT 0.002427 0.46462 2.39521
12 2Q8H TF4 0.02929 0.40195 2.39521
13 2C7G ODP 0.01313 0.41622 2.99401
14 1XE7 GUN 0.02481 0.40553 2.99401
15 1LL2 UPG 0.003618 0.40414 2.99401
16 3RGG AIR 0.0009419 0.40399 3.14465
17 2WGC SIA GAL BGC 0.001054 0.49477 3.59281
18 1Q11 TYE 0.00134 0.43054 3.59281
19 3MAG 3MA 0.01254 0.42793 3.59281
20 3F81 STT 0.01405 0.41776 3.59281
21 1ITZ TPP 0.004095 0.40561 3.59281
22 2C5S AMP 0.004146 0.40549 3.59281
23 3TKA CTN 0.0005124 0.51823 4.19162
24 3U1T MLI 0.003761 0.43068 4.19162
25 2OWZ CIT 0.005382 0.4173 4.19162
26 1OLS TDP 0.01232 0.41034 4.19162
27 4DL8 UMP AF3 PO4 0.002591 0.40763 4.19162
28 2J7T 274 0.007528 0.40294 4.19162
29 1Y1A GSH 0.04347 0.40169 4.19162
30 4W6Z ETF 0.02385 0.40004 4.19162
31 3QDT A2G GAL 0.002828 0.44374 4.1958
32 3QDY A2G GAL 0.01027 0.41736 4.1958
33 4GO7 THR 0.003113 0.40536 4.5
34 4RJK PYR 0.0007618 0.50236 4.79042
35 3ZPG 5GP 0.009138 0.42696 4.79042
36 1XX4 BAM 0.004046 0.41383 4.79042
37 1G8S MET 0.008923 0.40773 4.79042
38 1ULE GLA GAL NAG 0.003778 0.43782 5.33333
39 4M5P 23W 0.0008896 0.46734 5.38922
40 9LDT OXM 0.003063 0.45943 5.38922
41 3E5P PPI 0.01435 0.44213 5.38922
42 4LIT AKG 0.002322 0.42679 5.38922
43 2AMV BIN 0.009691 0.41876 5.38922
44 2YIV YIV 0.01072 0.41649 5.38922
45 2V6O FAD 0.02352 0.41513 5.38922
46 1C0I FAD 0.01108 0.41309 5.38922
47 1C0I BE2 0.01108 0.41309 5.38922
48 1DXY COI 0.02387 0.40637 5.38922
49 1B9I PXG 0.004416 0.40437 5.38922
50 1GPJ CIT 0.00825 0.40922 5.98802
51 2C31 TZD 0.03723 0.40583 5.98802
52 2C31 ADP 0.03622 0.40583 5.98802
53 3GTD MLI 0.002677 0.4242 6.58683
54 1UKW FAD 0.004254 0.4223 6.58683
55 1V7R CIT 0.02156 0.41576 6.58683
56 2V5E SCR 0.03737 0.40333 6.58683
57 3L6R MLI 0.0003798 0.47564 7.18563
58 4OHB 5HM 0.0001524 0.46974 7.18563
59 1MDZ DCS 0.0005147 0.45373 7.18563
60 1MDZ PLP 0.000885 0.44314 7.18563
61 1RYI GOA 0.0175 0.43807 7.18563
62 4JEM C5P 0.0003305 0.43125 7.18563
63 1Y42 TYR 0.001861 0.42476 7.18563
64 3FS8 ACO 0.01628 0.42321 7.18563
65 3S9K CIT 0.002302 0.48763 7.62712
66 3B96 FAD 0.01086 0.40601 7.78443
67 4NAT ADP 0.007123 0.4411 8.125
68 2V7T SAH 0.02043 0.42374 8.38323
69 3BHO B4P 0.03912 0.40229 8.38323
70 1PEA ACM 0.02021 0.40346 8.98204
71 4CO3 ATP 0.003467 0.43151 9.82143
72 2IZ1 ATR 0.002289 0.43346 10.1796
73 1GJW GLC 0.009153 0.4132 10.7784
74 1BTN I3P 0.01626 0.43079 11.3208
75 4WBD CIT 0.02091 0.40275 11.3772
76 1M5B BN1 0.03185 0.40124 11.3772
77 1W3R PYR 0.0009519 0.46596 11.976
78 1NU4 MLA 0.02954 0.40866 13.4021
79 1VJT NAD 0.003365 0.40345 14.3713
80 3BY8 MLT 0.01364 0.40534 15.493
81 4P5E N6P 0.003526 0.40489 15.5689
82 3Q9T FAY 0.01229 0.40485 15.5689
83 4EXO PYR 0.01021 0.41748 28.0822
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