Receptor
PDB id Resolution Class Description Source Keywords
1mc9 1.7 Å EC: 3.2.1.8 STREPROMYCES LIVIDANS XYLAN BINDING DOMAIN CBM13 IN COMPLEX XYLOPENTAOSE STREPTOMYCES LIVIDANS XYLANASE A XYLAN BINDING DOMAIN CBM13 LECTIN-LIKE BETA-TREFXYLOPENTAOSE COMPLEX HYDROLASE
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURES OF THE LECTIN-LI BINDING DOMAIN FROM STREPTOMYCES LIVIDANS XYLANASE BOUND SUBSTRATES REVEAL A NOVEL MODE OF XYLAN BINDI BIOCHEMISTRY V. 41 4246 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:136;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:130;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
XYP XYP XYP XYP XYP B:1;
 Valid;
 none;
 submit data
678.59 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KNM 1.2 Å EC: 3.2.1.8 STREPTOMYCES LIVIDANS XYLAN BINDING DOMAIN CBM13 IN COMPLEX LACTOSE STREPTOMYCES LIVIDANS XYLANASE A XYLAN BINDING DOMAIN CBM13 LECTIN-LIKE BETA TREFLACTOSE COMPLEX HYDROLASE
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURES OF THE LECTIN-LI BINDING DOMAIN FROM STREPTOMYCES LIVIDANS XYLANASE BOUND SUBSTRATES REVEAL A NOVEL MODE OF XYLAN BINDI BIOCHEMISTRY V. 41 4246 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 1MC9 - XYP XYP XYP XYP XYP n/a n/a
2 1KNM - BGC GAL n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 1MC9 - XYP XYP XYP XYP XYP n/a n/a
2 1KNM - BGC GAL n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1MC9 - XYP XYP XYP XYP XYP n/a n/a
2 1KNM - BGC GAL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYP XYP XYP XYP XYP; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP XYP XYP XYP 1 1
2 XYP XYP XYP XYP XYP XYP XYP 1 1
3 XYP XYP XYP XYP XYP 1 1
4 XYS XYS XYS 0.791667 0.969697
5 XYP XYP XYP AHR XYP 0.636364 0.888889
6 XYP XYP XYP XYP 0.622642 0.941176
7 XYP XYP AHR XYP 0.590909 0.888889
8 XYP XYP XYP AHR 0.575758 0.888889
9 XYS AHR XYP XYP XYP 0.560606 0.888889
10 XYP XYP XYP 0.559322 0.969697
11 XYS XYS 0.511111 0.939394
12 XYP TRS XYP 0.508197 0.711111
13 XYP XYP GCV XYP 0.506494 0.888889
14 XYS AZI XYS 0.5 0.653061
15 XYP XYP XYP GCV 0.493506 0.888889
16 XYP XYP 0.490566 0.911765
17 XYS XYS AHR 0.484848 0.888889
18 XYP XYP AHR 0.484848 0.888889
19 XYS NPO XYS 0.455882 0.615385
20 XYP XIF 0.438596 0.659574
21 XYP XDN 0.438596 0.704545
22 XYP XYP GCV 0.415584 0.888889
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP XYP XYP; 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 : 1KNM; Ligand: BGC GAL; Similar sites found with APoc: 26
This union binding pocket(no: 1) in the query (biounit: 1knm.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3AJ6 NGA 14.6154
2 3AJ6 NGA 14.6154
3 4LO2 BGC GAL 16.1538
4 4LO2 BGC GAL 16.1538
5 4OUJ GLC GAL 16.9231
6 4OUJ GLC GAL 16.9231
7 4G9N NGA 17.6923
8 4G9N NGA 17.6923
9 2ZQO NGA 21.5385
10 2ZQO NGA 21.5385
11 2ZQO NGA 21.5385
12 2ZQO NGA 21.5385
13 4OWK NGA 38.4615
14 4OWK NGA 38.4615
15 4OWK NGA 38.4615
16 4OWK NGA 38.4615
17 4OWK NGA 38.4615
18 4OWK NGA 38.4615
19 4OWK NGA 38.4615
20 4OWK NGA 38.4615
21 4OWK NGA 38.4615
22 4OWK NGA 38.4615
23 4OWK NGA 38.4615
24 4OWK NGA 38.4615
25 4OWK NGA 38.4615
26 4OWK NGA 38.4615
Pocket No.: 2; Query (leader) PDB : 1KNM; Ligand: BGC GAL; Similar sites found with APoc: 3
This union binding pocket(no: 2) in the query (biounit: 1knm.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4LO2 BGC GAL 16.1538
2 4LO2 BGC GAL 16.1538
3 2ZQO NGA 21.5385
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