Receptor
PDB id Resolution Class Description Source Keywords
1SR9 2 Å EC: 2.3.3.13 CRYSTAL STRUCTURE OF LEUA FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS TIM BARREL TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF LEUA FROM MYCOBACTERIUM TUBERCULOSIS, A KEY ENZYME IN LEUCINE BIOSYNTHESIS PROC.NATL.ACAD.SCI.USA V. 101 8295 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:705;
Invalid;
none;
submit data
35.453 Cl [Cl-]
KIV A:701;
B:702;
Valid;
Valid;
none;
none;
submit data
116.115 C5 H8 O3 CC(C)...
ZN A:704;
B:703;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SR9 2 Å EC: 2.3.3.13 CRYSTAL STRUCTURE OF LEUA FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS TIM BARREL TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF LEUA FROM MYCOBACTERIUM TUBERCULOSIS, A KEY ENZYME IN LEUCINE BIOSYNTHESIS PROC.NATL.ACAD.SCI.USA V. 101 8295 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1SR9 - KIV C5 H8 O3 CC(C)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 3 families.
1 1SR9 - KIV C5 H8 O3 CC(C)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 3 families.
1 1SR9 - KIV C5 H8 O3 CC(C)C(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KIV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 KIV 1 1
2 ALQ 0.5625 0.642857
3 LAC 0.444444 0.625
4 2OP 0.444444 0.625
5 PYR 0.411765 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1SR9; Ligand: KIV; Similar sites found: 36
This union binding pocket(no: 1) in the query (biounit: 1sr9.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5KF6 FAD 0.04612 0.40383 1.39752
2 5KF6 TFB 0.04612 0.40383 1.39752
3 1REQ DCA 0.03703 0.41767 1.72684
4 5N87 N66 0.04545 0.40682 2.23642
5 5GZ9 ANP 0.03193 0.40108 2.29508
6 5T9C G3P 0.004164 0.41173 2.61194
7 3CXO 3LR 0.004212 0.40873 2.6506
8 5FS0 5JC 0.001444 0.42513 2.8436
9 4WNK 453 0.02877 0.41109 3.01003
10 5A3T MMK 0.03203 0.41056 3.7422
11 5J75 6GQ 0.02228 0.40038 3.78788
12 2YIP YIO 0.00634 0.40389 4.34783
13 3FW4 CAQ 0.006187 0.44274 4.49438
14 4Z1D PEP 0.002888 0.41927 4.71014
15 5F3I 5UJ 0.04412 0.42004 4.72222
16 4O8A FAD 0.02779 0.41421 4.96894
17 1RQH PYR 0.002753 0.43257 5.00928
18 4FHD EEM 0.04468 0.4027 5.16304
19 1QY1 PRZ 0.01915 0.41039 5.17241
20 1O9W NAG 0.01109 0.40452 5.64972
21 4FFG LBS 0.01065 0.40858 5.69106
22 5NBW 8SK 0.002579 0.40543 6.30631
23 1Y9Q MED 0.01027 0.4039 6.77083
24 5KBE IPH 0.01291 0.4012 6.9869
25 2CW6 3HG 0.0003046 0.45831 7.04698
26 3MI3 LYS 0.000009839 0.53565 7.0922
27 4WB6 ATP 0.03708 0.40153 7.14286
28 4OMJ 2TX 0.04449 0.40393 7.19424
29 2GJ5 VD3 0.04757 0.40622 7.40741
30 3FYP PEP 0.006332 0.41386 7.5
31 2P7Q GG6 0.002454 0.42557 8.27068
32 1NVM OXL 0.0000003426 0.62539 8.97436
33 4JN6 OXL 0.0000001214 0.6553 9.24856
34 5F7V GLC GLC GLC GLC 0.02496 0.40404 10.5
35 1VKF CIT 0.004006 0.42118 10.6383
36 2ZYF AKG 0.0000008733 0.56628 10.733
Pocket No.: 2; Query (leader) PDB : 1SR9; Ligand: KIV; 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: 1sr9.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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