Receptor
PDB id Resolution Class Description Source Keywords
1V2F 2.35 Å EC: 2.6.1.15 CRYSTAL STRUCTURE OF T.TH HB8 GLUTAMINE AMINOTRANSFERASE COM 3-PHENYLPROPIONATE THERMUS THERMOPHILUS TRANSFERASE PLP RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIRSGI STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURES OF GLUTAMINE:PHENYLPYRUVATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS HB8: IND AND SUBSTRATE RECOGNITION J.BIOL.CHEM. V. 279 16518 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HCI A:520;
B:1520;
Valid;
Valid;
none;
none;
submit data
150.174 C9 H10 O2 c1ccc...
PLP A:510;
B:1510;
Invalid;
Invalid;
none;
none;
submit data
247.142 C8 H10 N O6 P Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1V2F 2.35 Å EC: 2.6.1.15 CRYSTAL STRUCTURE OF T.TH HB8 GLUTAMINE AMINOTRANSFERASE COM 3-PHENYLPROPIONATE THERMUS THERMOPHILUS TRANSFERASE PLP RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIRSGI STRUCTURAL GENOMICS
Ref.: CRYSTAL STRUCTURES OF GLUTAMINE:PHENYLPYRUVATE AMINOTRANSFERASE FROM THERMUS THERMOPHILUS HB8: IND AND SUBSTRATE RECOGNITION J.BIOL.CHEM. V. 279 16518 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1V2F - HCI C9 H10 O2 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1V2F - HCI C9 H10 O2 c1ccc(cc1)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1GDE - GLU PLP n/a n/a
2 1V2F - HCI C9 H10 O2 c1ccc(cc1)....
3 1U08 - PLP C8 H10 N O6 P Cc1c(c(c(c....
4 1GCK - ASP PLP n/a n/a
5 1XI9 - PLP C8 H10 N O6 P Cc1c(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HCI; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 HCI 1 1
2 CLT 0.666667 0.875
3 5PV 0.611111 0.823529
4 HPP 0.542857 0.666667
5 PPT 0.527778 0.875
6 S0W 0.527778 0.7
7 KPV 0.526316 0.619048
8 PAC 0.5 0.8
9 3EB 0.44186 0.736842
10 PPY 0.432432 0.631579
11 HFA 0.4 0.65
12 HF2 0.4 0.65
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1V2F; Ligand: HCI; 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: 1v2f.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1V2F; Ligand: HCI; Similar sites found: 27
This union binding pocket(no: 2) in the query (biounit: 1v2f.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3BL7 DD1 0.002815 0.43699 1.99336
2 5FUE UV4 0.01744 0.40043 2.09974
3 5D2H AKG 0.01247 0.4076 2.12014
4 2FXD DR7 0.03458 0.4022 3.0303
5 5OFW 9TW 0.002692 0.40489 3.13901
6 5N53 8NB 0.01264 0.40383 3.58974
7 5KOH HCA 0.01339 0.40558 3.67454
8 1Q8S MAN MMA 0.01406 0.40499 4.36508
9 1Q8Q MAN MMA 0.01458 0.40389 4.36508
10 1TOI HCI 0.0006922 0.52183 7.61155
11 1E6E FAD 0.04127 0.40564 8.39895
12 2HOX P1T 0.00007476 0.44411 14.9606
13 2AY3 MPP 0.000001366 0.54459 16.273
14 5DJ3 5DK 0.008376 0.42006 18.3511
15 3B1E P1T 0.001937 0.41437 19.9475
16 1C7O PPG 0.00005969 0.43876 22.0472
17 3BWN PMP PHE 0.000009624 0.57058 23.622
18 2CST MAE 0.000003301 0.57778 23.8845
19 3PD6 KYN 0.0002615 0.48718 25.4593
20 3PDB OAA 0.001865 0.42479 25.4593
21 1YAA MAE 0.00008478 0.48339 26.2467
22 4R5Z SIN 0.002769 0.41106 28.3379
23 1AJS PLA 0.00002099 0.55822 29.6588
24 3EI9 PL6 0.000006483 0.44948 34.3832
25 1M7Y PPG 0.009328 0.43307 38.3202
26 2R2N KYN 0.001218 0.44996 40.9449
27 2ZYJ PGU 0.00003469 0.55326 41.5617
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