Receptor
PDB id Resolution Class Description Source Keywords
2hzl 1.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURES OF A SODIUM-ALPHA-KETO ACID BINDING SUBUNIT FROM A TRAP TRANSPORTER IN ITS CLOSED FORMS RHODOBACTER SPHAEROIDES 2.4.1 TRAP TRANSPORTER PERIPLASMIC SUBUNIT LIGAND BINDING TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURES OF AN EXTRACYTOPLASMIC SOLUTE RECEPTOR FROM A TRAP TRANSPORTER IN ITS OPEN AND CLOSED FORMS REVEAL A HELIX-SWAPPED DIMER REQUIRING A CATION FOR ALPHA-KETO ACID BINDING. BMC STRUCT.BIOL. V. 7 11 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:500;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PYR A:601;
B:602;
B:603;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 270 nM
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HZL 1.4 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURES OF A SODIUM-ALPHA-KETO ACID BINDING SUBUNIT FROM A TRAP TRANSPORTER IN ITS CLOSED FORMS RHODOBACTER SPHAEROIDES 2.4.1 TRAP TRANSPORTER PERIPLASMIC SUBUNIT LIGAND BINDING TRANSPORT PROTEIN
Ref.: CRYSTAL STRUCTURES OF AN EXTRACYTOPLASMIC SOLUTE RECEPTOR FROM A TRAP TRANSPORTER IN ITS OPEN AND CLOSED FORMS REVEAL A HELIX-SWAPPED DIMER REQUIRING A CATION FOR ALPHA-KETO ACID BINDING. BMC STRUCT.BIOL. V. 7 11 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 2HZL Kd = 270 nM PYR C3 H4 O3 CC(=O)C(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 2HZL Kd = 270 nM PYR C3 H4 O3 CC(=O)C(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 2HZL Kd = 270 nM PYR C3 H4 O3 CC(=O)C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PYR; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 KIV 0.411765 0.785714
5 AAE 0.411765 0.625
6 2KT 0.411765 0.733333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HZL; Ligand: PYR; Similar sites found: 24
This union binding pocket(no: 1) in the query (biounit: 2hzl.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MB5 SAM 0.007601 0.4401 1.96078
2 2PWG CTS 0.01766 0.40921 1.97842
3 4RGQ NDP 0.03583 0.40607 2.19178
4 2I6A 5I5 0.01342 0.41559 2.31884
5 3MA0 XYP 0.005447 0.41807 2.55591
6 5FBN 5WF 0.02149 0.42527 2.58303
7 4R6W PC 0.03853 0.42176 3.10078
8 4R6W SAH 0.02 0.42176 3.10078
9 5EOB 5QQ 0.04006 0.42023 3.1348
10 9ABP GLA 0.02159 0.4006 3.26797
11 9ABP GAL 0.02159 0.4006 3.26797
12 1FFU CDP 0.0319 0.41988 3.48432
13 5UE4 5XQ 0.01339 0.40068 3.81356
14 1DL5 SAH 0.03341 0.40485 4.10095
15 1ZGA SAH 0.02121 0.40511 4.48179
16 5T67 JHZ 0.04862 0.418 4.93151
17 4OAS 2SW 0.02353 0.40154 5.20833
18 1OS7 TAU 0.023 0.4057 5.65371
19 3S43 478 0.03919 0.40428 6.06061
20 2C29 DQH 0.01684 0.4089 6.23145
21 4MFZ MFK 0.01762 0.42201 6.48968
22 4HPH SUC 0.01634 0.40644 6.57534
23 5FQ0 FLC 0.009357 0.40648 12.2807
24 2WDQ CBE 0.009604 0.41032 14.7287
Pocket No.: 2; Query (leader) PDB : 2HZL; Ligand: PYR; 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: 2hzl.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2HZL; Ligand: PYR; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2hzl.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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