Receptor
PDB id Resolution Class Description Source Keywords
1KSK 2 Å EC: 4.2.1.70 STRUCTURE OF RSUA ESCHERICHIA COLI CRYSTAL STRUCTURE PSEUDOURIDINE SYNTHASE RSUA LYASE
Ref.: STRUCTURE OF THE 16S RRNA PSEUDOURIDINE SYNTHASE RSUA BOUND TO URACIL AND UMP. NAT.STRUCT.BIOL. V. 9 353 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
URA A:232;
Valid;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KSK 2 Å EC: 4.2.1.70 STRUCTURE OF RSUA ESCHERICHIA COLI CRYSTAL STRUCTURE PSEUDOURIDINE SYNTHASE RSUA LYASE
Ref.: STRUCTURE OF THE 16S RRNA PSEUDOURIDINE SYNTHASE RSUA BOUND TO URACIL AND UMP. NAT.STRUCT.BIOL. V. 9 353 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KSL - URA C4 H4 N2 O2 C1=CNC(=O)....
2 1KSK - URA C4 H4 N2 O2 C1=CNC(=O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KSL - URA C4 H4 N2 O2 C1=CNC(=O)....
2 1KSK - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KSL - URA C4 H4 N2 O2 C1=CNC(=O)....
2 1KSK - URA C4 H4 N2 O2 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KSK; Ligand: URA; Similar sites found: 50
This union binding pocket(no: 1) in the query (biounit: 1ksk.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1MJH ATP 0.01775 0.41261 None
2 1NE6 SP1 0.01808 0.40157 1.7094
3 1ZPD DPX 0.007474 0.45068 2.13675
4 2Q8M AMP 0.002578 0.44058 2.5641
5 2XMY CDK 0.03904 0.42249 2.5641
6 2Q1S NAI 0.03396 0.41223 2.5641
7 3UYK 0CX 0.002088 0.48496 2.99145
8 2VBF TPP 0.007359 0.45213 2.99145
9 1PS6 4TP 0.008759 0.4252 2.99145
10 1QO8 FAD 0.03988 0.42165 2.99145
11 3ZEI AWH 0.0285 0.40657 2.99145
12 4B5P ACO 0.01436 0.42083 3
13 3O61 GDD 0.02193 0.4027 3.14136
14 4URS C2E 0.01539 0.40195 3.19149
15 3HGM ATP 0.01335 0.42189 3.40136
16 1GUZ NAD 0.01066 0.43762 3.84615
17 3BXF 13P 0.006372 0.4354 3.84615
18 1GV0 NAD 0.0319 0.40502 3.84615
19 5IXJ THR 0.046 0.40312 3.84615
20 1OQC FAD 0.02689 0.40241 4
21 4NZ6 DGL 0.000000109 0.57088 4.2735
22 4NZ6 DLY 0.0004397 0.44634 4.2735
23 1ORR NAD 0.01485 0.42881 4.2735
24 2CWH NDP 0.03592 0.40371 4.2735
25 2CWH PYC 0.04254 0.40371 4.2735
26 3PC3 P1T 0.007256 0.43301 4.70085
27 1RC0 KT5 0.03526 0.41037 5.26316
28 2C42 PYR 0.01649 0.43296 5.55556
29 2ZE7 DST 0.01922 0.42085 5.98291
30 2ZE7 AMP 0.01818 0.42085 5.98291
31 2VCH UDP 0.02213 0.41947 5.98291
32 3DUV KDO 0.0104 0.4095 5.98291
33 3VCY UD1 0.01976 0.40711 5.98291
34 3FJO FMN 0.03048 0.4017 5.98291
35 2YY7 NAD 0.002836 0.46822 6.41026
36 3FMI KAP 0.008032 0.44111 6.41026
37 1EM6 NBG 0.02444 0.43718 6.41026
38 4PVD NDP 0.01561 0.41902 6.41026
39 4EKQ NPO 0.009651 0.40465 6.41711
40 2EAE FUL 0.004535 0.41651 6.83761
41 5KBF CMP 0.01753 0.41029 6.83761
42 1GHE ACO 0.03982 0.40331 7.34463
43 2DX7 CIT 0.01483 0.41132 8.33333
44 3ZLM ANP 0.02545 0.40816 9.57447
45 1E7S NAP 0.02698 0.41872 10.6838
46 4HBM 0Y7 0.00988 0.41134 10.8333
47 4MKG AP5 0.03785 0.40718 11.0599
48 2PZM NAD 0.04531 0.4044 11.9658
49 2PZM UDP 0.04531 0.4044 11.9658
50 1W0J ADP BEF 0.02695 0.40415 12.3932
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