Receptor
PDB id Resolution Class Description Source Keywords
6P2L 1.08 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF NIASTELLA KOREENSIS GH74 (NKGH74) ENZYM NIASTELLA KOREENSIS (STRAIN DSM 17620 11465 / GR20-10) GLYCOSYL HYDROLASE GH74 XYLOGLUCANASE 7-FOLD BETA-PROPELLHYDROLASE
Ref.: SUBSTRATE SPECIFICITY, REGIOSPECIFICITY, AND PROCES GLYCOSIDE HYDROLASE FAMILY 74. J.BIOL.CHEM. V. 294 13233 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1037;
A:1040;
A:1025;
A:1018;
A:1031;
A:1022;
A:1032;
A:1020;
A:1019;
A:1024;
A:1033;
A:1021;
A:1041;
A:1016;
A:1035;
A:1030;
A:1028;
A:1042;
A:1029;
A:1027;
A:1039;
A:1017;
A:1026;
A:1038;
A:1023;
A:1036;
A:1034;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
BGC BGC BGC XYS BGC XYS XYS C:1;
 Invalid;
 none;
 submit data
1062.92 n/a O(CC1...
GLC BGC BGC XYS BGC XYS XYS GAL B:1;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6P2L 1.08 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF NIASTELLA KOREENSIS GH74 (NKGH74) ENZYM NIASTELLA KOREENSIS (STRAIN DSM 17620 11465 / GR20-10) GLYCOSYL HYDROLASE GH74 XYLOGLUCANASE 7-FOLD BETA-PROPELLHYDROLASE
Ref.: SUBSTRATE SPECIFICITY, REGIOSPECIFICITY, AND PROCES GLYCOSIDE HYDROLASE FAMILY 74. J.BIOL.CHEM. V. 294 13233 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 6P2L - GLC BGC BGC XYS BGC XYS XYS GAL 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 261 families.
1 6P2L - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 6P2L - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
2 5FKS - BGC BGC BGC XYS BGC XYS GAL n/a n/a
3 6P2M - BGC BGC BGC XYS XYS GAL GAL n/a n/a
4 6P2O - BGC BGC BGC XYS BGC XYS XYS GAL GAL n/a n/a
5 2CN3 - GLC BGC BGC XYS BGC XYS XYS GAL n/a n/a
6 6MGL - BGC BGC BGC XYS BGC XYS XYS GAL n/a n/a
7 6MGK - BGC BGC XYS XYS GAL n/a n/a
8 2EBS - BGC BGC BGC XYS BGC XYS XYS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; Similar ligands found: 3
No: Ligand Similarity coefficient
1 GLC BGC BGC XYS BGC XYS XYS GAL 1.0000
2 BGC BGC BGC XYS BGC XYS XYS GAL 0.9020
3 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.8897
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6P2L; Ligand: GLC BGC BGC XYS BGC XYS XYS GAL; 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: 6p2l.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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