-->
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: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 PRP 1 1
2 RI2 0.695652 0.975
3 PPC 0.615385 0.930233
4 G16 0.588235 0.883721
5 M6D 0.5 0.880952
6 AHG 0.5 0.904762
7 A6P 0.5 0.880952
8 RP5 0.5 0.975
9 T6P 0.5 0.804348
10 G6P 0.5 0.880952
11 HSX 0.5 0.975
12 M6P 0.5 0.880952
13 ABF 0.5 0.975
14 BGP 0.5 0.880952
15 BG6 0.5 0.880952
16 XYT 0.453125 0.804348
17 GRF 0.45098 0.745098
18 P3M 0.426471 0.804348
19 FDQ 0.425926 0.883721
20 50A 0.415094 0.863636
21 RF5 0.415094 0.863636
22 R1P 0.411765 0.951219
23 GLP 0.410714 0.74
24 4R1 0.410714 0.74
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LH0; Ligand: PRP; Similar sites found with APoc: 61
This union binding pocket(no: 1) in the query (biounit: 1lh0.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 1GXU 2HP None
2 1XXA ARG None
3 3F81 STT 1.63934
4 4CUB GAL NAG 2.18579
5 5MQW ATP 2.34742
6 5MQW GTP 2.34742
7 6BYF CIT 2.35294
8 2X1L MET 2.8169
9 5LUB 3Y7 2.8169
10 3LN9 FLC 2.8777
11 1L1Q 9DA 3.22581
12 2JKY 5GP 3.28639
13 2IMG MLT 3.31126
14 6GYT GLY LEU GLY ALY GLY GLY ALA ALY ALA 3.72671
15 3QDW NDG 4.1958
16 3QDU CBS CBS 4.1958
17 3QDV NDG 4.1958
18 2PZE ATP 4.22535
19 2AWN ADP 4.22535
20 3THR C2F 5.16432
21 2X2T GAL NGA 5.22876
22 5GVR LMR 5.6338
23 2OG2 MLI 6.10329
24 4UYG 73B 6.36943
25 1XTT U5P 6.57277
26 1UPF URF 6.57277
27 4RHY 3QG 6.96517
28 3DC4 ADP 7.04225
29 5WUU 7UU 7.19424
30 4WOH 4NP 7.22892
31 4P86 5GP 7.65027
32 3ACC 5GP 7.73481
33 5W75 SUC 7.98122
34 3AI3 SOL 7.98122
35 4D62 SIA 8.02139
36 4P83 U5P 8.24176
37 1QB7 ADE 8.4507
38 1O5O U5P 8.4507
39 1P19 IMP 9.38967
40 2JBH 5GP 9.85915
41 6APV 3L4 9.85915
42 2RDK MAN MAN 10.0917
43 4QYS PLR 10.3286
44 4JLS 3ZE 11.1842
45 3KP6 SAL 11.2583
46 1PZM 5GP 11.3744
47 1QK3 5GP 11.7371
48 5O74 GDP 12.1827
49 1DQN IMU 12.6761
50 4GQY AMP 12.7273
51 3OZG SSI 14.0845
52 6FCH PRP 14.6067
53 1BZY IMU 15.493
54 6AR9 3L4 16.9118
55 1MZV AMP 17.3709
56 3MBI HSX 17.8404
57 2FXV 5GP 19.0722
58 1HGX 5GP 21.8579
59 1P4A PCP 24.8826
60 5VJN ADE 33.6898
61 5VJN IR8 33.6898
Pocket No.: 2; Query (leader) PDB : 1LH0; Ligand: ORO; Similar sites found with APoc: 54
This union binding pocket(no: 2) in the query (biounit: 1lh0.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4YGF AZM 1.87793
2 5HZ9 5M8 2.22222
3 5O42 9JW 2.34742
4 5O42 BGC 2.34742
5 5O42 NAD 2.34742
6 5UIU 8CG 2.34742
7 1DUV PSQ 2.34742
8 3QUG GIX 2.38095
9 4FGC PQ0 2.42424
10 2XYQ SAH 2.45902
11 1L1Q 9DA 3.22581
12 2JKY 5GP 3.28639
13 5AB0 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 3.28639
14 3AKK ADP 3.75587
15 3QDW NDG 4.1958
16 2I7C AAT 4.22535
17 2ZW5 COA 4.22535
18 2PT9 2MH 4.22535
19 2PT9 S4M 4.22535
20 5O96 SAM 5.16432
21 4QVB F42 5.44218
22 4TW7 37K 5.46875
23 1DL5 SAH 5.6338
24 5WIU AQD 6.10329
25 3DRW AMP 6.10329
26 4KX8 L2O VAL VAL ASP 6.57277
27 4RHY 3QG 6.96517
28 5T2Z 017 7.07071
29 3QBT GNP 7.47126
30 4P86 5GP 7.65027
31 4P83 U5P 8.24176
32 1G8K MGD 8.27068
33 1QB7 ADE 8.4507
34 1TLL NAP 8.92019
35 1P19 IMP 9.38967
36 5EYK 5U5 10.1695
37 3LU1 UD2 10.7981
38 1PZM 5GP 11.3744
39 3TII ANP 11.7371
40 2PYW SR1 12.2066
41 5GWT NAD 12.2066
42 5EFQ ADP 12.6761
43 3OZG SSI 14.0845
44 6FCH PRP 14.6067
45 1BZY IMU 15.493
46 2J62 GSZ 15.493
47 6AR9 3L4 16.9118
48 1MZV AMP 17.3709
49 4KBA 1QM 18.3099
50 2FXV 5GP 19.0722
51 1HGX 5GP 21.8579
52 1YFZ IMP 23.9024
53 5VJN ADE 33.6898
54 5VJN IR8 33.6898
Pocket No.: 3; Query (leader) PDB : 1LH0; Ligand: ORO; Similar sites found with APoc: 30
This union binding pocket(no: 3) in the query (biounit: 1lh0.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 3F81 STT 1.63934
2 6BYF CIT 2.35294
3 5LUB 3Y7 2.8169
4 1RYO OXL 3.28639
5 2IMG MLT 3.31126
6 3QH2 3NM 3.75587
7 1UI0 URA 3.90244
8 5UBG PRT 4.22535
9 3B6R CRN 4.22535
10 4WZ8 3W7 4.69484
11 3RGQ 5P5 5.12821
12 2X2T GAL NGA 5.22876
13 1XTT U5P 6.57277
14 1UPF URF 6.57277
15 4WOH 4NP 7.22892
16 5O0J 8BR 7.51174
17 3ACC 5GP 7.73481
18 5W75 SUC 7.98122
19 1O5O U5P 8.4507
20 2JBH 5GP 9.85915
21 6APV 3L4 9.85915
22 4JLS 3ZE 11.1842
23 1QK3 5GP 11.7371
24 1DQN IMU 12.6761
25 1DAK DPU 13.615
26 1DAK ADP 13.615
27 3WH2 FLC 14.2857
28 1NU4 MLA 16.4948
29 3MBI HSX 17.8404
30 1P4A PCP 24.8826
APoc FAQ
Feedback