Receptor
PDB id Resolution Class Description Source Keywords
1XWQ 1.88 Å EC: 3.2.1.8 STRUCTURE OF A COLD-ADAPTED FAMILY 8 XYLANASE PSEUDOALTEROMONAS HALOPLANKTIS HYDROLASE XYLAN DEGRADATION PSYCHROPHILIC COLD ADAPTATIONTEMPERATURE GLYCOSYL HYDROLASE FAMILY 8
Ref.: STUDY OF THE ACTIVE SITE RESIDUES OF A GLYCOSIDE HY FAMILY 8 XYLANASE J.MOL.BIOL. V. 354 425 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYP XYP B:1;
 Valid;
 none;
 submit data
412.344 n/a O=C1C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H12 1.2 Å EC: 3.2.1.8 STRUCTURE OF A COLD-ADAPTED FAMILY 8 XYLANASE PSEUDOALTEROMONAS HALOPLANKTIS HYDROLASE XYLAN DEGRADATION PSYCHROPHILIC COLD ADAPTATIONTEMPERATURE GLYCOSYL HYDROLASE FAMILY 8
Ref.: THE STRUCTURE OF A COLD-ADAPTED FAMILY 8 XYLANASE A RESOLUTION: STRUCTURAL ADAPTATIONS TO COLD AND INVE OF THE ACTIVE SITE J.BIOL.CHEM. V. 278 7531 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 1H12 - XYS C5 H10 O5 C1[C@H]([C....
2 2B4F - XYP XYP XYP XYP XYP n/a n/a
3 1XWQ - XYP XYP XYP n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 32 families.
1 1H12 - XYS C5 H10 O5 C1[C@H]([C....
2 2B4F - XYP XYP XYP XYP XYP n/a n/a
3 1XWQ - XYP XYP XYP n/a n/a
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6TO0 - XYP XYP XYP AHR n/a n/a
2 6SRD - XYP C5 H10 O5 C1[C@H]([C....
3 6SUD - XYP C5 H10 O5 C1[C@H]([C....
4 6TOW - XYP XYP XYP XYP n/a n/a
5 6TRH - XYP XYP XYP AHR XYP n/a n/a
6 1H12 - XYS C5 H10 O5 C1[C@H]([C....
7 2B4F - XYP XYP XYP XYP XYP n/a n/a
8 1XWQ - XYP XYP XYP n/a n/a
9 1WU6 - XYP XYP n/a n/a
10 1WU5 - XYP C5 H10 O5 C1[C@H]([C....
11 6G09 - XYP XYP n/a n/a
12 6G0B - XYP XYP XYP n/a n/a
13 6G0N - XYP XYP XYP XYP XYP XYP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYP XYP XYP; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP 1 1
2 XYP XYP XYP XYP XYP XYP XYP 0.559322 0.969697
3 XYP XYP XYP XYP XYP XYP 0.559322 0.969697
4 XYP XYP XYP XYP XYP 0.559322 0.969697
5 XYP XYP XYP XYP 0.540984 0.914286
6 XYP TRS XYP 0.470588 0.695652
7 XYS AZI XYS 0.461538 0.64
8 XYS XYS XYS 0.446154 0.941176
9 XYS NPO XYS 0.445946 0.603774
10 XYS AHR XYP XYP XYP 0.441558 0.864865
11 XYS GLC GLC 0.426667 0.914286
12 XIL 0.426471 0.702128
13 XDL XYP 0.426471 0.702128
14 XYP XYP 0.42623 0.885714
15 XYP XYP XYP AHR XYP 0.414634 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP; Similar ligands found: 17
No: Ligand Similarity coefficient
1 XYS XYP XYP 0.9664
2 XYP XYP AHR 0.9188
3 XYS XYP AHR 0.9027
4 Z4U TWY TWY 0.9006
5 C19 0.8959
6 B8O 0.8883
7 BGC BGC BGC 0.8869
8 GLC BGC BGC 0.8853
9 GCS GCS GCS 0.8773
10 WTI 0.8728
11 DLK 0.8699
12 38O 0.8678
13 2YO 0.8673
14 SQO 0.8667
15 CR9 0.8658
16 2YM 0.8629
17 MKP 0.8525
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H12; Ligand: 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: 1h12.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1H12; Ligand: 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: 1h12.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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