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Receptor
PDB id Resolution Class Description Source Keywords
4GO7 2 Å EC: 2.7.2.4 THE REGULATORY SUBUNIT OF ASPARTATE KINASE IN COMPLEX WITH T FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS TRANSFERASE
Ref.: STRUCTURAL VIEW OF THE REGULATORY SUBUNIT OF ASPART KINASE FROM MYCOBACTERIUM TUBERCULOSIS. PROTEIN CELL V. 2 745 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
THR X:201;
Valid;
none;
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119.119 C4 H9 N O3 C[C@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4GO7 2 Å EC: 2.7.2.4 THE REGULATORY SUBUNIT OF ASPARTATE KINASE IN COMPLEX WITH T FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS TRANSFERASE
Ref.: STRUCTURAL VIEW OF THE REGULATORY SUBUNIT OF ASPART KINASE FROM MYCOBACTERIUM TUBERCULOSIS. PROTEIN CELL V. 2 745 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4GO7 - THR C4 H9 N O3 C[C@H]([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4GO7 - THR C4 H9 N O3 C[C@H]([C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4GO7 - THR C4 H9 N O3 C[C@H]([C@....
2 2DT9 - THR C4 H9 N O3 C[C@H]([C@....
3 2DTJ - THR C4 H9 N O3 C[C@H]([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: THR; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 THR 1 1
2 ALO 1 1
3 VAL 0.65 0.714286
4 DAL 0.578947 0.789474
5 ALA 0.578947 0.789474
6 VAH 0.541667 0.76
7 ILE 0.541667 0.6
8 HGY 0.526316 0.625
9 AHB 0.5 0.6
10 AKB 0.434783 0.857143
11 DBB 0.434783 0.625
12 ABA 0.434783 0.625
13 LFC 0.407407 0.619048
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4GO7; Ligand: THR; Similar sites found with APoc: 57
This union binding pocket(no: 1) in the query (biounit: 4go7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1GXU 2HP None
2 4WZV E40 1.875
3 2CWH NDP 2.5
4 2CWH PYC 2.5
5 5A96 GTP 2.5
6 3LRE ADP 2.5
7 4G86 BNT 2.5
8 5MW8 ATP 2.5
9 4AG5 ADP 2.5
10 2VAR ANP 3
11 2J5V PCA 3.5
12 3LTW HLZ 3.5
13 4XF6 LIP 3.5
14 4XF6 INS 3.5
15 4XF6 ADP 3.5
16 5NM7 GLY 3.7594
17 1Q19 SSC 4
18 1RSG FAD 4
19 4PPF FLC 4
20 2GQR ADP 4.5
21 2GQS ADP 4.5
22 5GVR LMR 4.5
23 5OES ADP 5
24 1JGT APC 5
25 1JGT CMA 5
26 4XDA RIB 5
27 4XDA ADP 5
28 3CF6 SP1 5
29 4IP7 FBP 5
30 4PVV HO4 5.5
31 2X06 NAD 5.5
32 5F90 LMR 5.76923
33 5F90 GLA GAL 5.76923
34 3G5N PB2 6
35 4EN4 ATP 6
36 4EN4 GT1 6
37 4EN4 GT0 6
38 1O9U ADZ 6.5
39 2PZE ATP 6.5
40 3GD8 GOL 6.72646
41 4GK9 MAN BMA MAN MAN MAN 7
42 1FIW PBZ 7
43 3RS8 APR 7.5
44 4WZ8 3W7 7.5
45 1OBD ATP 7.5
46 1W6F ISZ 7.55396
47 5URY PAM 8.21918
48 5E5U MLI 9
49 4B2D FBP 9
50 1XPJ TLA 9.52381
51 1U6R IOM 10
52 1NJJ GET 10.5
53 3ITJ CIT 13.5
54 6AC9 ANP 19.5
55 1N62 FAD 22
56 1ZD9 GDP 23.9362
57 5FII PHE 29.4118
Pocket No.: 2; Query (leader) PDB : 4GO7; Ligand: THR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4go7.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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