Receptor
PDB id Resolution Class Description Source Keywords
6SGF 1.76 Å EC: 3.2.1.8 MOLECULAR INSIGHT INTO A NEW LOW AFFINITY XYLAN BINDING MODU FROM THE XYLANOLYTIC GUT SYMBIONT ROSEBURIA INTESTINALIS. ROSEBURIA INTESTINALIS L1-82 CARBOHYDRATE BINDING MODULE XYLANASE XYLAN ROSEBURIA INTETERNALIS. SUGAR BINDING PROTEIN
Ref.: MOLECULAR INSIGHT INTO A NEW LOW-AFFINITY XYLAN BIN MODULE FROM THE XYLANOLYTIC GUT SYMBIONT ROSEBURIA INTESTINALIS. FEBS J. V. 287 2105 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD C:207;
A:205;
E:205;
B:206;
C:205;
A:207;
C:206;
B:205;
D:205;
A:206;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
112.411 Cd [Cd+2...
XYP XYP XYP XYP L:1;
J:1;
I:1;
H:1;
K:1;
G:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 Kd = 0.48 mM
530.476 n/a O(C1C...
CL A:209;
C:208;
B:207;
C:210;
E:206;
F:205;
A:208;
C:209;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6SGF 1.76 Å EC: 3.2.1.8 MOLECULAR INSIGHT INTO A NEW LOW AFFINITY XYLAN BINDING MODU FROM THE XYLANOLYTIC GUT SYMBIONT ROSEBURIA INTESTINALIS. ROSEBURIA INTESTINALIS L1-82 CARBOHYDRATE BINDING MODULE XYLANASE XYLAN ROSEBURIA INTETERNALIS. SUGAR BINDING PROTEIN
Ref.: MOLECULAR INSIGHT INTO A NEW LOW-AFFINITY XYLAN BIN MODULE FROM THE XYLANOLYTIC GUT SYMBIONT ROSEBURIA INTESTINALIS. FEBS J. V. 287 2105 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 6SGF Kd = 0.48 mM XYP XYP XYP XYP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 6SGF Kd = 0.48 mM XYP XYP XYP XYP n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 6SGF Kd = 0.48 mM XYP XYP XYP XYP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYP XYP XYP XYP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP XYP 1 1
2 XYP XYP 0.840909 0.970588
3 XYP XYP XYP XYP XYP XYP XYP 0.622642 0.941176
4 XYP XYP XYP XYP XYP 0.622642 0.941176
5 XYP XYP XYP XYP XYP XYP 0.622642 0.941176
6 XYP XYP XYP 0.540984 0.914286
7 XYP TRS XYP 0.492063 0.717391
8 XYS XYS XYS 0.491525 0.970588
9 XYS AZI XYS 0.483333 0.627451
10 XYP XIF 0.473684 0.702128
11 XYS AHR XYP XYP XYP 0.458333 0.842105
12 XYP XDN 0.448276 0.75
13 XYP XYP XYP AHR XYP 0.428571 0.842105
14 XYP GCU 0.421875 0.944444
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP XYP; Similar ligands found: 5
No: Ligand Similarity coefficient
1 XYS XYS XYS XYS 0.9766
2 XYS XYP XYP XYP 0.9721
3 BGC BGC BGC BGC 0.8602
4 GS1 SGC BGC SGC 0.8593
5 GLC BGC BGC BGC 0.8547
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6SGF; Ligand: XYP XYP XYP XYP; 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: 6sgf.bio3) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6SGF; Ligand: XYP XYP XYP XYP; 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: 6sgf.bio3) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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