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Showing PDB: 2CHT
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Receptor
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50%
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Structure Biounit | Ligand Information
PDB :
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Class :
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Receptor
PDB id
Resolution
Class
Description
Source
Keywords
2CHT
2.2 Å
EC:
5.4.99.5
CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE F BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION STATE A
BACILLUS SUBTILIS
ISOMERASE
Ref.:
CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANS STATE ANALOG. PROC.NATL.ACAD.SCI.USA V. 90 8600 1993
Ligand
Ligand
Chain:Residue
Validity
Ligand Warnings
Binding Data
NGL Viewer
Molecular Weight (Da)
Formula
SMILES
TSA
A:203;
B:201;
C:202;
D:206;
E:204;
F:205;
G:209;
H:207;
I:208;
J:212;
K:210;
L:211;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Ki = 3 uM
228.199
C10 H12 O6
C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id
Resolution
Class
Description
Source
Keywords
2CHT
2.2 Å
EC:
5.4.99.5
CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE MUTASE F BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANSITION STATE A
BACILLUS SUBTILIS
ISOMERASE
Ref.:
CRYSTAL STRUCTURES OF THE MONOFUNCTIONAL CHORISMATE FROM BACILLUS SUBTILIS AND ITS COMPLEX WITH A TRANS STATE ANALOG. PROC.NATL.ACAD.SCI.USA V. 90 8600 1993
Members (4)
No:
PDB id
Binding Data
Representative ligand
Formula
Smiles
The
Class
containing this family consists of a total of
8
families.
1
3ZP4
-
TSA
C10 H12 O6
C1[C@@H]2[....
2
1COM
-
PRE
C10 H10 O6
C1=CC(C=CC....
3
3ZP7
-
ISJ
C10 H10 O6
C=C(C(=O)O....
4
2CHT
Ki = 3 uM
TSA
C10 H12 O6
C1[C@@H]2[....
70% Homology Family (4)
No:
PDB id
Binding Data
Representative ligand
Formula
Smiles
The
Class
containing this family consists of a total of
8
families.
1
3ZP4
-
TSA
C10 H12 O6
C1[C@@H]2[....
2
1COM
-
PRE
C10 H10 O6
C1=CC(C=CC....
3
3ZP7
-
ISJ
C10 H10 O6
C=C(C(=O)O....
4
2CHT
Ki = 3 uM
TSA
C10 H12 O6
C1[C@@H]2[....
50% Homology Family (5)
No:
PDB id
Binding Data
Representative ligand
Formula
Smiles
The
Class
containing this family consists of a total of
5
families.
1
3ZP4
-
TSA
C10 H12 O6
C1[C@@H]2[....
2
1COM
-
PRE
C10 H10 O6
C1=CC(C=CC....
3
3ZP7
-
ISJ
C10 H10 O6
C=C(C(=O)O....
4
2CHT
Ki = 3 uM
TSA
C10 H12 O6
C1[C@@H]2[....
5
1UFY
-
MLI
C3 H2 O4
C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TSA; Similar ligands found: 1
No:
Ligand
ECFP6 Tc
MDL keys Tc
1
TSA
1
1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2cht.bio5) has
14 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2CHT; Ligand: TSA; 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: 2cht.bio5) has
13 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2cht.bio5) has
13 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2cht.bio2) has
14 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2cht.bio2) has
11 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2cht.bio2) has
13 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2cht.bio4) has
12 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2cht.bio4) has
6 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2cht.bio4) has
14 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2cht.bio4) has
14 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2cht.bio1) has
14 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2cht.bio1) has
13 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 2cht.bio1) has
13 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 2cht.bio1) has
14 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 2cht.bio3) has
14 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 2cht.bio3) has
13 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 2cht.bio3) has
14 residues
No:
Leader PDB
Ligand
Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 2CHT; Ligand: TSA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 2cht.bio3) has
13 residues
No:
Leader PDB
Ligand
Sequence Similarity
APoc FAQ
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