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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 253 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 209 families.
1 2V4V Ka = 1700 M^-1 XYP C5 H10 O5 C1[C@H]([C....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 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 1W9W Ka = 290000 M^-1 BGC BGC BGC GLC BGC BGC n/a n/a
8 5FUI - APY C6 H8 N2 c1ccnc(c1)....
9 1UY2 - XYP XYP n/a n/a
10 1UXX - XYP XYP XYP XYP XYP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 RIP 1 1
2 XYS 1 1
3 ARB 1 1
4 HSY 1 1
5 ARA 1 1
6 XYP 1 1
7 LXC 1 1
8 0MK 1 1
9 XYP XYS 0.414634 0.84375
10 BXP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 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 with APoc: 14
This union binding pocket(no: 1) in the query (biounit: 2v4v.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4BMO FMN 3.10078
2 2VD9 IN5 3.10078
3 2VD9 EPC 3.10078
4 5EOB 5QQ 3.87597
5 3LM9 FRU 4.65116
6 1NIU DCS 4.65116
7 5VN0 NAI 6.20155
8 1VFS DCS 9.30233
9 4BFW ZVW 9.30233
10 4LUT DCS 10.8527
11 5FAG PPI 12.4031
12 3VGL BGC 17.8295
13 1CZA G6P 24.031
14 5LA1 XYP 37.9845
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