Receptor
PDB id Resolution Class Description Source Keywords
2BMB 2.3 Å EC: 2.7.6.3 X-RAY STRUCTURE OF THE BIFUNCTIONAL 6-HYDROXYMETHYL-7,8- DIHYDROXYPTERIN PYROPHOSPHOKINASE DIHYDROPTEROATE SYNTHASE S ACCHAROMYCES CEREVISIAE SACCHAROMYCES CEREVISIAE FOLATE BIOSYNTHESIS TRANSFERASE LIGASE MULTIFUNCTIONAL EN
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF THE BIFUNCTIONAL 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE/DIHYDROPTEROATE SYNTHASE OF SACCH CEREVISIAE J.MOL.BIOL. V. 348 655 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PMM A:1865;
A:1866;
Valid;
Valid;
none;
none;
submit data
273.143 C7 H8 N5 O5 P c1c(n...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BMB 2.3 Å EC: 2.7.6.3 X-RAY STRUCTURE OF THE BIFUNCTIONAL 6-HYDROXYMETHYL-7,8- DIHYDROXYPTERIN PYROPHOSPHOKINASE DIHYDROPTEROATE SYNTHASE S ACCHAROMYCES CEREVISIAE SACCHAROMYCES CEREVISIAE FOLATE BIOSYNTHESIS TRANSFERASE LIGASE MULTIFUNCTIONAL EN
Ref.: THE THREE-DIMENSIONAL STRUCTURE OF THE BIFUNCTIONAL 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN PYROPHOSPHOKINASE/DIHYDROPTEROATE SYNTHASE OF SACCH CEREVISIAE J.MOL.BIOL. V. 348 655 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2BMB - PMM C7 H8 N5 O5 P c1c(nc2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2BMB - PMM C7 H8 N5 O5 P c1c(nc2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BMB - PMM C7 H8 N5 O5 P c1c(nc2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PMM; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 PMM 1 1
2 HH2 0.789474 0.968254
3 HHR 0.625 0.790323
4 PD8 0.4875 0.893939
5 HHS 0.460317 0.758065
6 MPU 0.434783 0.724638
7 NEU 0.434783 0.724638
8 NEO 0.434783 0.724638
9 BIO 0.432836 0.707692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BMB; Ligand: PMM; 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: 2bmb.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2BMB; Ligand: PMM; Similar sites found: 29
This union binding pocket(no: 2) in the query (biounit: 2bmb.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4KYS VIB 0.01211 0.40848 1.87354
2 4O1F THG 0.00008209 0.49508 2.06897
3 3R1Z ALA DGL 0.002372 0.42037 2.11082
4 1X1Z BMP 0.009985 0.44021 2.38095
5 3VV1 GAL FUC 0.00915 0.41993 3.125
6 1SLT NDG GAL 0.01619 0.40667 3.73134
7 2D6M LBT 0.01708 0.40697 3.77358
8 2E7F C2F 0.0004284 0.46222 3.81679
9 4WVW SLT 0.009435 0.4189 4.16667
10 1TIW TFB 0.0228 0.41379 4.22018
11 1REQ DCA 0.04802 0.40059 4.40367
12 1A78 TDG 0.01351 0.41134 4.47761
13 2VQ5 HBA 0.0142 0.40407 4.47761
14 3C8F MT2 0.007806 0.41112 4.4898
15 1U18 HSM 0.01992 0.40544 4.86486
16 2YMZ LAT 0.007023 0.42101 5.38462
17 4FHD EEM 0.02429 0.40508 5.70652
18 5LGA 6VH 0.02421 0.40846 9
19 4B1L FRU 0.0047 0.42622 9.09091
20 1Y42 TYR 0.01679 0.4014 9.69388
21 5M67 3D1 0.02324 0.42183 10.6422
22 5M67 ADE 0.02649 0.41884 10.6422
23 5M67 NAD 0.02952 0.41637 10.6422
24 3A8H TAY 0.01547 0.40461 11.1111
25 1W3T 3GR 0.01676 0.40872 14.966
26 2YCJ C2F 0.0006165 0.44641 18.4502
27 5LJB RTL 0.009985 0.40962 19.2593
28 2QL9 CIT 0.02109 0.40309 27.8351
29 2Y5S 78H 0.000000001749 0.70896 49.6599
Feedback