Receptor
PDB id Resolution Class Description Source Keywords
2V4V 1.5 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF A FAMILY 6 CARBOHYDRATE-BINDING MODULE FROM CLOSTRIDIUM CELLULOLYTICUM IN COMPLEX WITH XYLOSE CLOSTRIDIUM CELLULOLYTICUM HYDROLASE FAMILY 6 CARBOHYDRATE BINDING MODULE CCCBM6
Ref.: ANALYSIS OF THE STRUCTURAL AND FUNCTIONAL DIVERSITY OF PLANT CELL WALL SPECIFIC FAMILY 6 CARBOHYDRATE BINDING MODULES. BIOCHEMISTRY V. 48 10395 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:3052;
Part of Protein;
none;
submit data
22.99 Na [Na+]
XYP A:3051;
Valid;
none;
Ka = 1700 M^-1
150.13 C5 H10 O5 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V4V 1.5 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF A FAMILY 6 CARBOHYDRATE-BINDING MODULE FROM CLOSTRIDIUM CELLULOLYTICUM IN COMPLEX WITH XYLOSE CLOSTRIDIUM CELLULOLYTICUM HYDROLASE FAMILY 6 CARBOHYDRATE BINDING MODULE CCCBM6
Ref.: ANALYSIS OF THE STRUCTURAL AND FUNCTIONAL DIVERSITY OF PLANT CELL WALL SPECIFIC FAMILY 6 CARBOHYDRATE BINDING MODULES. BIOCHEMISTRY V. 48 10395 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 2V4V Ka = 1700 M^-1 XYP C5 H10 O5 C1[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 176 families.
1 2V4V Ka = 1700 M^-1 XYP C5 H10 O5 C1[C@H]([C....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 2V4V Ka = 1700 M^-1 XYP C5 H10 O5 C1[C@H]([C....
2 1UYX - BGC BGC n/a n/a
3 1UZ0 - BGC BGC BGC BGC n/a n/a
4 1UYZ - XYP XYP XYP XYP n/a n/a
5 1UYY - BGC BGC BGC n/a n/a
6 1UY0 - BGC BGC BGC BGC n/a n/a
7 1W9T - XYP XYP n/a n/a
8 1W9W Ka = 290000 M^-1 BGC BGC BGC GLC BGC BGC n/a n/a
9 5FUI - APY C6 H8 N2 c1ccnc(c1)....
10 1UY2 - XYP XYP n/a n/a
11 1UXX - XYP XYP XYP XYP XYP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP 1 1
2 0MK 1 1
3 RIP 1 1
4 LXC 1 1
5 ARA 1 1
6 ARB 1 1
7 XYS 1 1
8 HSY 1 1
9 BXP 0.414634 0.84375
10 XYP XYP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 XYS XYS 0.414634 0.84375
13 XYP XYS 0.414634 0.84375
14 FU4 0.4 0.896552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2V4V; Ligand: XYP; Similar sites found: 5
This union binding pocket(no: 1) in the query (biounit: 2v4v.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BMO FMN 0.01295 0.43466 3.10078
2 5EOB 5QQ 0.01868 0.42235 3.87597
3 4LUT DCS 0.002512 0.43022 10.8527
4 5FAG PPI 0.004593 0.42585 12.4031
5 3VGL BGC 0.002816 0.41996 17.8295
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