Receptor
PDB id Resolution Class Description Source Keywords
2Y24 1.39 Å EC: 3.2.1.136 STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION BY ERWINIA CHRYSANTHEMI GH5 GLUCURONOXYLANASE ERWINIA CHRYSANTHEMI HYDROLASE GLUCURONOXYLAN-SPECIFIC XYLANASE GH5 FAMILY ALDOTETRAOURONIC ACID
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION BY ERWIN CHRYSANTHEMI GH30 GLUCURONOXYLANASE. FEBS J. V. 278 2105 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IMD A:1417;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
PG4 A:1414;
A:1415;
Invalid;
Invalid;
none;
none;
submit data
194.226 C8 H18 O5 C(COC...
PGE A:1416;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
XYP XYP GCV XYP A:1001;
Valid;
none;
submit data
603.503 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Y24 1.39 Å EC: 3.2.1.136 STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION BY ERWINIA CHRYSANTHEMI GH5 GLUCURONOXYLANASE ERWINIA CHRYSANTHEMI HYDROLASE GLUCURONOXYLAN-SPECIFIC XYLANASE GH5 FAMILY ALDOTETRAOURONIC ACID
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION BY ERWIN CHRYSANTHEMI GH30 GLUCURONOXYLANASE. FEBS J. V. 278 2105 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2Y24 - XYP XYP GCV XYP 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 1 families.
1 2Y24 - XYP XYP GCV XYP n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 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 GCV XYP; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP GCV XYP 1 1
2 GCV XYP XYP XYS 0.792683 1
3 GCV XYP XYP XYP 0.792683 1
4 XYP XYP XYP GCV 0.792683 1
5 GCV XYP XYP 0.78481 1
6 XYP XYS 0.513514 0.888889
7 BXP 0.513514 0.888889
8 XYS XYP 0.513514 0.888889
9 XYP XYP 0.513514 0.888889
10 XYS XYS 0.513514 0.888889
11 XYP XYP XYP XYP XYP 0.506494 0.888889
12 XYS XYS XYS XYS 0.506494 0.888889
13 XYP XYP XYS 0.506494 0.888889
14 XYP XYS XYP 0.506494 0.888889
15 XYS XYS XYS XYS XYS 0.506494 0.888889
16 XYS XYP XYP 0.506494 0.888889
17 XYP XYP XYP XYP XYP XYP 0.506494 0.888889
18 XYP XYP XYP 0.506494 0.888889
19 XYP XYP XYP XYP 0.506494 0.888889
20 XYP XYP XYP XYS 0.506494 0.888889
21 AHR XYP XYP XYP 0.478261 0.8
22 XYP AHR XYP XYP 0.473118 0.8
23 XYS XYP AHR XYP 0.473118 0.8
24 XYP XYP XYP AHR 0.473118 0.8
25 AHR XYS XYS 0.460674 0.8
26 AHR XYS XYP XYP XYP 0.43617 0.8
27 XYS XYS XYS 0.421687 0.864865
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2Y24; Ligand: XYP XYP GCV XYP; Similar sites found: 34
This union binding pocket(no: 1) in the query (biounit: 2y24.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZMR GLO BGC BGC XYS BGC XYS XYS 0.002422 0.40991 1.56658
2 4U5I BXP 0.0008674 0.45923 1.82768
3 2VRQ XYP XYP AHR 0.005514 0.43 1.82768
4 3GNP SOG 0.005606 0.42744 1.82768
5 1V08 NTZ 0.01372 0.41202 1.82768
6 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 0.001191 0.41153 1.82768
7 3K00 MTT 0.0296 0.40725 1.82768
8 3AYS CT3 0.002813 0.43468 1.8617
9 2JEQ GAL BGC BGC BGC XYS BGC XYS 0.001705 0.40076 2.34987
10 4PTX BGC 0.005024 0.42982 2.61097
11 2JFZ 003 0.04665 0.42179 2.7451
12 4YZT BGC BGC BGC BGC 0.0007127 0.43962 2.87206
13 4CD5 BMA MVL 0.006142 0.43537 3.13316
14 3CMJ SRT 0.0006518 0.42625 3.13316
15 4PBG BGP 0.004376 0.41361 3.13316
16 4JIE BMA 0.003043 0.40982 3.13316
17 1PX8 XYP 0.007712 0.40252 3.13316
18 3II1 BGC 0.0002732 0.48788 3.65535
19 4M82 NGB 0.003977 0.44323 3.65535
20 2E40 LGC 0.002261 0.43962 3.65535
21 4BMO FMN 0.0342 0.4026 3.72671
22 5GNX BGC 0.005186 0.42108 4.17755
23 5H4R CTT 0.001002 0.43296 4.43864
24 1UGY GLA BGC 0.009083 0.40808 4.51128
25 3PTQ NFG 0.001911 0.40295 4.69974
26 2E0P CTT 0.0154 0.40327 5.48303
27 2E9L BGC 0.01069 0.44257 5.74413
28 2E9L OLA 0.01167 0.44049 5.74413
29 2E9L PLM 0.01225 0.43831 5.74413
30 5AYI BGC 0.005724 0.41679 6.78851
31 2O9R TCB 0.01445 0.4089 8.094
32 4UFH GIF 0.0005458 0.47247 28.7206
33 5NGL NOJ BGC 0.00003057 0.51164 34.7258
34 2NSX IFM 0.000003878 0.52106 44.6475
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