Receptor
PDB id Resolution Class Description Source Keywords
1B57 2 Å EC: 4.1.2.13 CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE IN COMPLEX WITH PHOSPHOGLYCOLOHYDROXAMATE ESCHERICHIA COLI LYASE ALDEHYDE GLYCOLYSIS
Ref.: THE CRYSTAL STRUCTURE OF ESCHERICHIA COLI CLASS II FRUCTOSE-1, 6-BISPHOSPHATE ALDOLASE IN COMPLEX WITH PHOSPHOGLYCOLOHYDROXAMATE REVEALS DETAILS OF MECHANISM AND SPECIFICITY. J.MOL.BIOL. V. 287 383 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:365;
Invalid;
none;
submit data
35.453 Cl [Cl-]
NA A:364;
B:364;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PGH A:359;
B:359;
Valid;
Valid;
none;
none;
submit data
171.046 C2 H6 N O6 P C(C(=...
ZN A:360;
A:361;
A:362;
A:363;
B:360;
B:361;
B:362;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1B57 2 Å EC: 4.1.2.13 CLASS II FRUCTOSE-1,6-BISPHOSPHATE ALDOLASE IN COMPLEX WITH PHOSPHOGLYCOLOHYDROXAMATE ESCHERICHIA COLI LYASE ALDEHYDE GLYCOLYSIS
Ref.: THE CRYSTAL STRUCTURE OF ESCHERICHIA COLI CLASS II FRUCTOSE-1, 6-BISPHOSPHATE ALDOLASE IN COMPLEX WITH PHOSPHOGLYCOLOHYDROXAMATE REVEALS DETAILS OF MECHANISM AND SPECIFICITY. J.MOL.BIOL. V. 287 383 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 1B57 - PGH C2 H6 N O6 P C(C(=O)NO)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 1B57 - PGH C2 H6 N O6 P C(C(=O)NO)....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1B57 - PGH C2 H6 N O6 P C(C(=O)NO)....
2 3EKZ - G3P C3 H9 O6 P C(C(COP(=O....
3 3EKL - 13P C3 H7 O6 P C(C(=O)COP....
4 4LV4 Kd = 9.39 uM 8HC C10 H7 N O3 c1cc2ccc(n....
5 4A22 Kd = 6.8 nM TD4 C6 H15 N O10 P2 C(CCOP(=O)....
6 4DEL Kd = 21.1 nM PGH C2 H6 N O6 P C(C(=O)NO)....
7 3ELF - 2FP C6 H14 O12 P2 C(C(C(C(C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PGH; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 PGH 1 1
2 PGA 0.482759 0.651163
3 PAH 0.433333 0.844444
4 13P 0.424242 0.622222
5 HPV 0.424242 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1B57; Ligand: PGH; Similar sites found: 53
This union binding pocket(no: 1) in the query (biounit: 1b57.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1GVF PGH 6.198e-13 0.91248
2 4Q4K FMN 0.0008513 0.47491
3 4NAE 1GP 0.001299 0.4566
4 4ORM FMN 0.009392 0.45451
5 4ORM 2V6 0.009653 0.45451
6 4ORM ORO 0.009392 0.45451
7 3NT6 FAD 0.005801 0.44842
8 4GKY MAN 0.004377 0.44669
9 1TLG GAL 0.002676 0.44464
10 1TLG GAL 0.002676 0.44464
11 1TLG GAL 0.002676 0.44464
12 4JEJ 1GP 0.0009638 0.43984
13 4BI7 PGA 0.002087 0.43823
14 3LLZ GAL NGA 0.002964 0.43776
15 2BTM PGA 0.002261 0.43656
16 2J0W ASP 0.005249 0.43571
17 1LYX PGA 0.00236 0.43556
18 1LYX PGA 0.00236 0.43556
19 4JLS 3ZE 0.004012 0.43364
20 2YPI PGA 0.002327 0.4308
21 3C8F MT2 0.004837 0.42604
22 1QDS PGA 0.002949 0.426
23 2GJP BGC GLC DAF GLC GLC GLC DAF 0.03281 0.42292
24 3CYQ AMU 0.005685 0.42128
25 3CYQ AMU 0.005685 0.42128
26 3QPB URA 0.004695 0.42076
27 3NTD FAD 0.01988 0.42058
28 1P4A PCP 0.0009154 0.42007
29 1P4A PCP 0.001019 0.41673
30 3QPB URA 0.00731 0.4156
31 3TAO PGH 0.005468 0.41348
32 3FPZ AHZ 0.02209 0.41309
33 1SW0 PGA 0.004511 0.41149
34 4AF0 IMP 0.01302 0.41147
35 4AF0 IMP 0.01315 0.41125
36 3DOO SKM 0.01349 0.40955
37 3VM7 GLC 0.01231 0.40949
38 2GN3 MAN 0.01078 0.4092
39 3MI2 PFU 0.04623 0.40865
40 1AG9 FMN 0.01187 0.40827
41 4L2I FAD 0.03022 0.40815
42 1JCM 137 0.01178 0.40652
43 1JCM 137 0.01178 0.40652
44 4EWN 0VR 0.002848 0.40543
45 2GN3 MMA 0.01316 0.40464
46 2BLE 5GP 0.02628 0.40335
47 1TRD PGH 0.006859 0.40331
48 1TRD PGH 0.006859 0.40331
49 1LQA NDP 0.03789 0.40201
50 1LES GLC FRU 0.02352 0.40165
51 1RP0 AHZ 0.03509 0.40163
52 3IWD M2T 0.0151 0.40138
53 2GNB MAN 0.01946 0.40042
Pocket No.: 2; Query (leader) PDB : 1B57; Ligand: PGH; 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: 1b57.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
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