Receptor
PDB id Resolution Class Description Source Keywords
2W1U 2 Å EC: 3.2.1.35 A FAMILY 32 CARBOHYDRATE-BINDING MODULE, FROM THE MU TOXIN P CLOSTRIDIUM PERFRINGENS, IN COMPLEX WITH BETA-D-GLCNAC-BETAG ALNAC CLOSTRIDIUM PERFRINGENS FAMILY 32 CARBOHYDRATE BINDING MODULE FAMILY 84 GLYCOSIDE HGLYCOSIDASE HEXOSAMINIDASE CLOSTRIDIUM PERFRINGENS CBM SECRETED VIRULENCE HYDROLASE
Ref.: N-ACETYLGLUCOSAMINE RECOGNITION BY A FAMILY 32 CARBOHYDRATE-BINDING MODULE FROM CLOSTRIDIUM PERFRI NAGH. J.MOL.BIOL. V. 390 208 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT B:1953;
C:1951;
D:1951;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
CA A:1948;
B:1952;
C:1950;
D:1950;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
NGA NAG F:1;
E:1;
H:1;
 Valid;
Valid;
Valid;
 none;
none;
none;
 Ka = 5910 M^-1
n/a n/a
A2G NAG G:1;
 Invalid;
 none;
 submit data
424.403 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WDB 2.03 Å EC: 3.2.1.35 A FAMILY 32 CARBOHYDRATE-BINDING MODULE, FROM THE MU TOXIN P CLOSTRIDIUM PERFRINGENS, IN COMPLEX WITH BETA-D-GLCNAC-BETAM ANNOSE CLOSTRIDIUM PERFRINGENS FAMILY 32 CARBOHYDRATE BINDING MODULE FAMILY 84 GLYCOSIDE HGLYCOSIDASE HEXOSAMINIDASE CLOSTRIDIUM PERFRINGENS CBM SECRETED VIRULENCE HYDROLASE
Ref.: N-ACETYLGLUCOSAMINE RECOGNITION BY A FAMILY 32 CARBOHYDRATE-BINDING MODULE FROM CLOSTRIDIUM PERFRI NAGH. J.MOL.BIOL. V. 390 208 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2W1U Ka = 5910 M^-1 NGA NAG n/a n/a
2 2WDB Ka = 7860 M^-1 MAN NAG n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2W1U Ka = 5910 M^-1 NGA NAG n/a n/a
2 2WDB Ka = 7860 M^-1 MAN NAG n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2W1U Ka = 5910 M^-1 NGA NAG n/a n/a
2 2WDB Ka = 7860 M^-1 MAN NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NGA NAG; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: NGA NAG; Similar ligands found: 13
No: Ligand Similarity coefficient
1 NGA NAG 1.0000
2 GAL NAG 0.8993
3 SN5 SN5 0.8978
4 NAG NAG 0.8967
5 NDG NAG 0.8950
6 GAL NGA 0.8881
7 MBG NAG 0.8856
8 NGA GAL 0.8800
9 NAG GAL 0.8764
10 NGA GCD 0.8758
11 A2G GAL 0.8649
12 NAG GCD 0.8576
13 NAG GC4 0.8574
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WDB; Ligand: MAN NAG; 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: 2wdb.bio4) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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