Receptor
PDB id Resolution Class Description Source Keywords
5A6L 1.8 Å NON-ENZYME: BINDING HIGH RESOLUTION STRUCTURE OF THE THERMOSTABLE GLUCURONOXYLAN BETA-1, 4-XYLANASE, CTXYN30A, FROM CLOSTRIDIUM THERMOCELLUMX YLOBIOSE UNITS BOUND CLOSTRIDIUM THERMOCELLUM HYDROLASE PROTEIN
Ref.: CONSERVATION IN THE MECHANISM OF GLUCURONOXYLAN HYD REVEALED BY THE STRUCTURE OF GLUCURONOXYLAN XYLANO-(CTXYN30A) FROM CLOSTRIDIUM THERMOCELLUM ACTA CRYSTALLOGR.,SECT.D V. 72 1162 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:1391;
A:1390;
A:1394;
A:1389;
A:1387;
A:1392;
A:1388;
A:1393;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
PEG A:1399;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
XYP XYP A:1395;
A:1397;
Valid;
Valid;
none;
none;
submit data
164.157 n/a O(C)C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5A6M 1.17 Å NON-ENZYME: BINDING DETERMINING THE SPECIFICITIES OF THE CATALYTIC SITE FROM THE RESOLUTION STRUCTURE OF THE THERMOSTABLE GLUCURONOXYLAN END4 -XYLANASE, CTXYN30A, FROM CLOSTRIDIUM THERMOCELLUM WITH A XY LOTETRAOSE BOUND RUMINICLOSTRIDIUM THERMOCELLUM HYDROLASE
Ref.: CONSERVATION IN THE MECHANISM OF GLUCURONOXYLAN HYD REVEALED BY THE STRUCTURE OF GLUCURONOXYLAN XYLANO-(CTXYN30A) FROM CLOSTRIDIUM THERMOCELLUM ACTA CRYSTALLOGR.,SECT.D V. 72 1162 2016
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5A6L - XYP XYP n/a n/a
2 4UQA - HIS C6 H10 N3 O2 c1c([nH+]c....
3 5A6M - XYP XYP n/a n/a
4 4UQC - GLC C6 H12 O6 C([C@@H]1[....
5 4CKQ - MLA C3 H4 O4 C(C(=O)O)C....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5A6L - XYP XYP n/a n/a
2 4UQA - HIS C6 H10 N3 O2 c1c([nH+]c....
3 5A6M - XYP XYP n/a n/a
4 4UQC - GLC C6 H12 O6 C([C@@H]1[....
5 4CKQ - MLA C3 H4 O4 C(C(=O)O)C....
6 3KL3 - DHI C6 H10 N3 O2 c1c([nH+]c....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5A6L - XYP XYP n/a n/a
2 4UQA - HIS C6 H10 N3 O2 c1c([nH+]c....
3 5A6M - XYP XYP n/a n/a
4 4UQC - GLC C6 H12 O6 C([C@@H]1[....
5 4CKQ - MLA C3 H4 O4 C(C(=O)O)C....
6 3KL3 - DHI C6 H10 N3 O2 c1c([nH+]c....
7 2Y24 - XYP XYP GCV XYP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP XYP; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 ARW 1 1
2 XYP XYP 1 1
3 X1P 0.461538 0.651163
4 XS2 0.44 0.842105
5 XLM 0.431373 0.837838
6 XYP XYS 0.422222 0.828571
7 XYS XYP 0.422222 0.828571
8 BXP 0.422222 0.828571
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5A6M; Ligand: XYP XYP XYS; 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: 5a6m.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5A6M; Ligand: 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: 5a6m.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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