Receptor
PDB id Resolution Class Description Source Keywords
6P2M 1.98 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE CALDICELLULOSIRUPTOR LACTOACETICUS (CLGH74A) ENZYME IN COMPLEX WITH LLG XYLOGLUCAN CALDICELLULOSIRUPTOR LACTOACETICUS 6A 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
TRS A:813;
 Invalid;
 none;
 submit data
122.143 C4 H12 N O3 C(C(C...
GOL A:810;
A:809;
A:811;
A:812;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
PE3 A:808;
 Invalid;
 none;
 submit data
634.751 C28 H58 O15 C(COC...
BGC BGC BGC XYS XYS GAL GAL B:1;
 Valid;
 none;
 submit data
1092.95 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6P2M 1.98 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE CALDICELLULOSIRUPTOR LACTOACETICUS (CLGH74A) ENZYME IN COMPLEX WITH LLG XYLOGLUCAN CALDICELLULOSIRUPTOR LACTOACETICUS 6A 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 552 families.
1 6P2M - BGC BGC BGC XYS XYS GAL 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 426 families.
1 6P2M - BGC BGC BGC XYS XYS GAL 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: BGC BGC BGC XYS XYS GAL GAL; Similar ligands found: 65
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC BGC XYS XYS GAL GAL 1 1
2 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.924051 1
3 BGC BGC BGC XYS BGC XYS XYS GAL 0.924051 1
4 BGC BGC XYS BGC XYS XYS GAL 0.875 1
5 BGC BGC BGC XYS BGC XYS GAL 0.873418 1
6 BGC BGC XYS XYS GAL 0.825 1
7 BGC BGC XYS GAL 0.824324 1
8 BGC BGC BGC XYS XYS GAL 0.783133 0.972222
9 BGC BGC BGC XYS BGC XYS XYS 0.772152 1
10 BGC BGC BGC XYS BGC XYS 0.759494 1
11 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.740741 1
12 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.740741 1
13 BGC BGC BGC BGC BGC XYS 0.740741 1
14 BGC BGC BGC XYS 0.691358 1
15 BGC BGC GLC BGC XYS BGC XYS XYS 0.650602 0.972222
16 BMA BMA BMA BMA GLA 0.6375 0.942857
17 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.6375 0.942857
18 GLC GLC XYS XYS 0.625 0.971429
19 BGC GLC GLC GLC 0.625 0.942857
20 GLC GLC GLC GLC GLC 0.625 0.942857
21 BGC GLC GLC 0.615385 0.942857
22 GLC GLC GLC 0.573171 0.944444
23 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.56 0.942857
24 GLC GLC GLC GLC BGC GLC GLC 0.56 0.942857
25 MAN BMA BMA BMA BMA BMA BMA 0.56 0.942857
26 NBG BGC BGC XYS BGC XYS XYS 0.557895 0.744681
27 MAN BMA BMA 0.556962 0.944444
28 BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.942857
29 BGC GAL GLA 0.487805 0.942857
30 GLO BGC BGC XYS BGC XYS XYS 0.462264 0.972222
31 BGC BGC BGC BGC 0.450549 0.942857
32 BGC GAL NAG NAG GAL GAL 0.443396 0.66
33 BGC GAL NGA GAL 0.442105 0.702128
34 BMA MAN MAN 0.44186 0.942857
35 MAN MAN MAN MAN MAN MAN MAN 0.438776 0.942857
36 BGC GAL FUC 0.438202 0.916667
37 GLC GAL BGC FUC 0.438202 0.916667
38 GLC GLC FRU 0.43617 0.871795
39 BGC GLA GAL 0.435897 0.942857
40 BMA BMA BMA BMA GLA BMA GLA 0.434343 0.868421
41 G2F BGC BGC BGC BGC BGC 0.431818 0.825
42 G2F SHG BGC BGC 0.430233 0.846154
43 BGC GLC AGL GLC GLC GLC 0.43 0.6875
44 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.425287 0.971429
45 GLC GLC AC1 0.425287 0.711111
46 NAG GAL BGC GAL 0.42268 0.702128
47 XYS XYS AHR 0.417582 0.918919
48 BGC GAL FUC GLA 0.416667 0.916667
49 BGC GAL GLA NGA GAL 0.415842 0.702128
50 BMA BMA BMA BMA 0.41573 0.888889
51 MAN MAN BMA 0.41573 0.944444
52 GLC GLC GLC G6D ACI GLC GLC 0.415094 0.73913
53 BGC GAL NGA 0.414894 0.702128
54 BGC GLC GLC GLC GLC 0.414634 0.942857
55 BGC GLC GLC GLC GLC GLC 0.414634 0.942857
56 FUC GAL 0.409639 0.888889
57 GLC GLC AGL HMC 0.407407 0.6875
58 XYP XYP XYP AHR 0.40625 0.918919
59 BGC GAL NAG GAL 0.40404 0.702128
60 GLC BGC G6D ACI 0.403846 0.73913
61 MGL GAL 0.402439 0.891892
62 GLC EDO GLC 0.4 0.944444
63 GAL SO4 GAL 0.4 0.634615
64 ARE 0.4 0.702128
65 AAO 0.4 0.702128
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC BGC BGC XYS XYS GAL GAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6P2M; Ligand: BGC BGC BGC XYS XYS GAL 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: 6p2m.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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