Receptor
PDB id Resolution Class Description Source Keywords
1LH0 2 Å EC: 2.4.2.10 CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM OMP SYNTHASE IN WITH MGPRPP AND OROTATE SALMONELLA TYPHIMURIUM LOOP CLOSURE MONOMER CLOSURE OROTATE PHOSPHORIBOSYLTRANSFETRANSFERASE
Ref.: STRUCTURE OF SALMONELLA TYPHIMURIUM OMP SYNTHASE IN COMPLETE SUBSTRATE COMPLEX. BIOCHEMISTRY V. 51 4397 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:5003;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
ORO A:4001;
B:5001;
Valid;
Valid;
none;
none;
submit data
156.096 C5 H4 N2 O4 C1=C(...
PRP B:5002;
Valid;
none;
submit data
390.07 C5 H13 O14 P3 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LH0 2 Å EC: 2.4.2.10 CRYSTAL STRUCTURE OF SALMONELLA TYPHIMURIUM OMP SYNTHASE IN WITH MGPRPP AND OROTATE SALMONELLA TYPHIMURIUM LOOP CLOSURE MONOMER CLOSURE OROTATE PHOSPHORIBOSYLTRANSFETRANSFERASE
Ref.: STRUCTURE OF SALMONELLA TYPHIMURIUM OMP SYNTHASE IN COMPLETE SUBSTRATE COMPLEX. BIOCHEMISTRY V. 51 4397 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1LH0 - ORO C5 H4 N2 O4 C1=C(NC(=O....
2 1OPR - ORO C5 H4 N2 O4 C1=C(NC(=O....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1LH0 - ORO C5 H4 N2 O4 C1=C(NC(=O....
2 1OPR - ORO C5 H4 N2 O4 C1=C(NC(=O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LH0 - ORO C5 H4 N2 O4 C1=C(NC(=O....
2 1OPR - ORO C5 H4 N2 O4 C1=C(NC(=O....
3 2PRZ - OMP C10 H13 N2 O11 P C1=C(N(C(=....
4 2PS1 - ORO C5 H4 N2 O4 C1=C(NC(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ORO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 ORO 1 1
Ligand no: 2; Ligand: PRP; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 PRP 1 1
2 PPC 0.615385 0.930233
3 G16 0.588235 0.883721
4 M6P 0.5 0.880952
5 HSX 0.5 0.975
6 M6D 0.5 0.880952
7 T6P 0.5 0.804348
8 BGP 0.5 0.880952
9 G6P 0.5 0.880952
10 AHG 0.5 0.904762
11 RP5 0.5 0.975
12 ABF 0.5 0.975
13 A6P 0.5 0.880952
14 BG6 0.5 0.880952
15 GRF 0.45098 0.745098
16 P3M 0.426471 0.804348
17 FDQ 0.425926 0.883721
18 RF5 0.415094 0.863636
19 50A 0.415094 0.863636
20 R1P 0.411765 0.951219
21 GLP 0.410714 0.74
22 4R1 0.410714 0.74
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LH0; Ligand: ORO; 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: 1lh0.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1LH0; Ligand: PRP; Similar sites found: 25
This union binding pocket(no: 2) in the query (biounit: 1lh0.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.01838 0.42652 None
2 3F81 STT 0.02369 0.41135 1.63934
3 4CUB GAL NAG 0.02801 0.40859 2.18579
4 2X1L MET 0.01275 0.43354 2.8169
5 1L1Q 9DA 0.0001096 0.40608 3.22581
6 4ZBY URA 0.0119 0.4355 4.12371
7 5GVR LMR 0.0006508 0.50094 5.6338
8 4UYG 73B 0.02488 0.41871 6.36943
9 1XTT U5P 0.001776 0.45367 6.57277
10 1UPF URF 0.003615 0.42119 6.57277
11 4RHY 3QG 0.005893 0.41833 6.96517
12 5WUU 7UU 0.04386 0.40474 7.19424
13 4P83 U5P 0.0000507 0.54623 8.24176
14 1P18 PRP 0.00388 0.41679 9.38967
15 5JSQ 6MS 0.005165 0.43977 9.85915
16 2RDK MAN MAN 0.03203 0.41139 10.0917
17 4QYS PLR 0.02297 0.40744 10.3286
18 1PZM 5GP 0.000317 0.51204 11.3744
19 1DQN IMU 0.0002877 0.51423 12.6761
20 1ZN7 HSX 0.0000503 0.5464 14.4444
21 1ZN7 PRP 0.00002695 0.41886 14.4444
22 3MBI HSX 0.00001027 0.58953 17.8404
23 2FXV 5GP 0.0002922 0.40496 19.0722
24 1HGX 5GP 0.0001172 0.53453 21.8579
25 1P4A PCP 0.0001612 0.49788 24.8826
Pocket No.: 3; Query (leader) PDB : 1LH0; Ligand: ORO; Similar sites found: 33
This union binding pocket(no: 3) in the query (biounit: 1lh0.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3F81 STT 0.01178 0.4098 1.63934
2 1L1Q 9DA 0.0005353 0.45952 3.22581
3 2JKY 5GP 0.0002657 0.45951 3.28639
4 4ZBY URA 0.005007 0.4355 4.12371
5 3B6R CRN 0.02803 0.40438 4.22535
6 3RGQ 5P5 0.02265 0.40212 5.12821
7 1XTT U5P 0.003521 0.41646 6.57277
8 1UPF URF 0.001892 0.40029 6.57277
9 4RHY 3QG 0.0005169 0.42884 6.96517
10 1ECC PCP 0.0002376 0.48165 7.51174
11 3ACC 5GP 0.00002656 0.47692 7.73481
12 4P83 U5P 0.0002243 0.48655 8.24176
13 1QB7 ADE 0.0006756 0.43868 8.4507
14 1O5O U5P 0.002052 0.41633 8.4507
15 1P18 7HP 0.000438 0.46947 9.38967
16 1P18 PRP 0.000438 0.41407 9.38967
17 2JBH 5GP 0.00001766 0.48195 9.85915
18 5JSQ 6MS 0.003501 0.42508 9.85915
19 4JLS 3ZE 0.0003342 0.46421 11.1842
20 1PZM 5GP 0.0001681 0.49909 11.3744
21 1QK3 5GP 0.0001666 0.49066 11.7371
22 1DQN IMU 0.00004803 0.52567 12.6761
23 1DAK DPU 0.02679 0.40545 13.615
24 3OZG SSI 0.0002965 0.46407 14.0845
25 1ZN7 HSX 0.0001202 0.49945 14.4444
26 1ZN7 PRP 0.0001594 0.48096 14.4444
27 1ZN7 ADE 0.0001202 0.46205 14.4444
28 5W8V 9YP 0.00002205 0.52899 15.493
29 1MZV AMP 0.0003569 0.44348 17.3709
30 3MBI HSX 0.0001812 0.4975 17.8404
31 2FXV 5GP 0.0002592 0.47992 19.0722
32 1HGX 5GP 0.00001467 0.55082 21.8579
33 1P4A PCP 0.0003361 0.45446 24.8826
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