Receptor
PDB id Resolution Class Description Source Keywords
2GX5 1.74 Å NON-ENZYME: TRANSCRIPT_TRANSLATE N-TERMINAL GAF DOMAIN OF TRANSCRIPTIONAL PLEIOTROPIC REPRESS BACILLUS SUBTILIS CODY DNA-BINDING NUCLEOTIDE-BINDING REPRESSOR TRANSCRIPTREGULATION GAF DOMAIN BRANCHED CHAIN AMINO ACID BINDING TRANSCRIPTION
Ref.: THE STRUCTURE OF CODY, A GTP- AND ISOLEUCINE-RESPON REGULATOR OF STATIONARY PHASE AND VIRULENCE IN GRAM BACTERIA. J.BIOL.CHEM. V. 281 11366 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:520;
A:525;
B:523;
C:517;
C:518;
C:526;
D:516;
D:519;
D:521;
D:522;
D:524;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
P6G C:513;
Invalid;
none;
submit data
282.331 C12 H26 O7 C(COC...
PCG C:514;
Valid;
none;
submit data
345.205 C10 H12 N5 O7 P c1nc2...
PG4 C:512;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
PGE A:515;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
SO4 A:509;
B:504;
B:510;
C:501;
C:511;
D:502;
D:505;
D:506;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GX5 1.74 Å NON-ENZYME: TRANSCRIPT_TRANSLATE N-TERMINAL GAF DOMAIN OF TRANSCRIPTIONAL PLEIOTROPIC REPRESS BACILLUS SUBTILIS CODY DNA-BINDING NUCLEOTIDE-BINDING REPRESSOR TRANSCRIPTREGULATION GAF DOMAIN BRANCHED CHAIN AMINO ACID BINDING TRANSCRIPTION
Ref.: THE STRUCTURE OF CODY, A GTP- AND ISOLEUCINE-RESPON REGULATOR OF STATIONARY PHASE AND VIRULENCE IN GRAM BACTERIA. J.BIOL.CHEM. V. 281 11366 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 2GX5 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
2 2B18 - ILE C6 H13 N O2 CC[C@H](C)....
3 2HGV - VAL C5 H11 N O2 CC(C)[C@@H....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 2GX5 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
2 2B18 - ILE C6 H13 N O2 CC[C@H](C)....
3 2HGV - VAL C5 H11 N O2 CC(C)[C@@H....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 2GX5 - PCG C10 H12 N5 O7 P c1nc2c(n1[....
2 2B18 - ILE C6 H13 N O2 CC[C@H](C)....
3 2HGV - VAL C5 H11 N O2 CC(C)[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCG; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 PCG 1 1
2 35G 1 1
3 C2E 1 0.986111
4 4BW 0.806818 0.986111
5 1YD 0.806818 0.986111
6 5GP 5GP 0.743902 0.945205
7 4UR 0.731959 0.986111
8 6SW 0.627907 0.957747
9 1YC 0.616162 0.958333
10 6J7 0.58427 0.946667
11 2BA 0.534091 0.902778
12 CMP 0.534091 0.888889
13 GMP 0.53012 0.84
14 1SY 0.495575 0.986111
15 SGP 0.483871 0.835443
16 6SZ 0.483871 0.902778
17 3GP 0.478261 0.932432
18 1OR 0.474747 0.729412
19 5GP 0.468085 0.945946
20 G 0.468085 0.945946
21 7CH 0.467391 0.875
22 6SX 0.462366 0.847222
23 6JR 0.457944 0.930556
24 G2R 0.457143 0.897436
25 GPX 0.451923 0.906667
26 GP3 0.44898 0.934211
27 2GP 0.446809 0.92
28 GDP BEF 0.445545 0.8625
29 GDP 0.444444 0.933333
30 GP2 0.444444 0.897436
31 GNH 0.44 0.921053
32 P2G 0.4375 0.893333
33 G2P 0.436893 0.897436
34 GDP MG 0.435644 0.884615
35 ALF 5GP 0.431373 0.851852
36 GTP 0.431373 0.933333
37 GMV 0.431373 0.909091
38 G1R 0.427184 0.921053
39 GCP 0.427184 0.909091
40 GNP 0.423077 0.909091
41 GSP 0.423077 0.886076
42 G3D 0.423077 0.945946
43 GDP AF3 0.420561 0.851852
44 BEF GDP 0.419048 0.851852
45 GTP MG 0.419048 0.884615
46 GCP G 0.415094 0.896104
47 G4P 0.415094 0.945946
48 GAV 0.415094 0.897436
49 P1G 0.414141 0.881579
50 Y9Z 0.410714 0.843373
51 G G 0.409091 0.921053
52 GDP ALF 0.407407 0.851852
53 N6R 0.40708 0.818182
54 N6S 0.40708 0.818182
55 G3A 0.403509 0.934211
56 YGP 0.401786 0.8875
57 G5P 0.4 0.934211
58 0O2 0.4 0.945946
59 GPG 0.4 0.922078
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GX5; Ligand: PCG; 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: 2gx5.bio2) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback