Receptor
PDB id Resolution Class Description Source Keywords
1H4H 1.9 Å EC: 3.2.1.8 OLIGOSACCHARIDE-BINDING TO FAMILY 11 XYLANASES: BOTH COVALENT INTERMEDIATE AND MUTANT-PRODUCT COMPLEXES DISPLAY 2 ,5B CONFORMATIONS AT THE ACTIVE-CENTRE BACILLUS AGARADHAERENS GLYCOSIDE HYDROLASE XYLANASE OLIGOSACCHARIDE TRANSITION-STATE INTERMEDIATE MUTANT BOAT CONFORMATION
Ref.: CATALYSIS AND SPECIFICITY IN ENZYMATIC GLYCOSIDE HYDROLYSIS: A 2,5B CONFORMATION FOR THE GLYCOSYL-ENZYME INTERMEDIATE REVEALED BY THE STRUCTURE OF THE BACILLUS AGARADHAERENS FAMILY 11 XYLANASE. CHEM.BIOL. V. 6 483 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYS XYP A:1208;
B:1210;
C:1208;
D:1209;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
414.36 n/a O(C1O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H4H 1.9 Å EC: 3.2.1.8 OLIGOSACCHARIDE-BINDING TO FAMILY 11 XYLANASES: BOTH COVALENT INTERMEDIATE AND MUTANT-PRODUCT COMPLEXES DISPLAY 2 ,5B CONFORMATIONS AT THE ACTIVE-CENTRE BACILLUS AGARADHAERENS GLYCOSIDE HYDROLASE XYLANASE OLIGOSACCHARIDE TRANSITION-STATE INTERMEDIATE MUTANT BOAT CONFORMATION
Ref.: CATALYSIS AND SPECIFICITY IN ENZYMATIC GLYCOSIDE HYDROLYSIS: A 2,5B CONFORMATION FOR THE GLYCOSYL-ENZYME INTERMEDIATE REVEALED BY THE STRUCTURE OF THE BACILLUS AGARADHAERENS FAMILY 11 XYLANASE. CHEM.BIOL. V. 6 483 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 1H4H - XYP XYS 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 29 families.
1 1H4H - XYP XYS XYP n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1H4H - XYP XYS XYP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP XYS XYP; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYS 1 1
2 XYS XYS XYS XYS 1 1
3 XYS XYP XYP 1 1
4 XYP XYP XYP XYS 1 1
5 XYP XYP XYP XYP XYP 1 1
6 XYP XYP XYP XYP 1 1
7 XYP XYP XYP 1 1
8 XYP XYP XYP XYP XYP XYP 1 1
9 XYS XYS XYS XYS XYS 1 1
10 XYP XYS XYP 1 1
11 XYS XYS 0.904762 1
12 XYS XYP 0.904762 1
13 XYP XYS 0.904762 1
14 BXP 0.904762 1
15 XYP XYP 0.904762 1
16 XYS XYS XYS 0.791667 0.969697
17 XYS XYP AHR XYP 0.590909 0.888889
18 XYP XYP XYP AHR 0.590909 0.888889
19 XYP AHR XYP XYP 0.590909 0.888889
20 AHR XYP XYP XYP 0.575758 0.888889
21 AHR XYS XYP XYP XYP 0.560606 0.888889
22 XYP XYP GCV XYP 0.506494 0.888889
23 XYS XYS AZI 0.5 0.653061
24 XYP XYP TRS 0.5 0.744186
25 GCV XYP XYP XYS 0.493506 0.888889
26 XYP XYP XYP GCV 0.493506 0.888889
27 GCV XYP XYP XYP 0.493506 0.888889
28 AHR XYP XYP 0.484848 0.888889
29 AHR XYS XYS 0.484848 0.888889
30 XYP XYP AHR 0.484848 0.888889
31 XYS XYP AHR 0.484848 0.888889
32 XYS XYS NPO 0.455882 0.615385
33 XDN XYP 0.438596 0.756098
34 XYP XDN 0.438596 0.756098
35 XYP XIF 0.431034 0.704545
36 XIF XYP 0.431034 0.704545
37 GCV XYP XYP 0.415584 0.888889
38 GLC GLC XYP 0.405797 0.911765
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H4H; Ligand: XYP XYS XYP; Similar sites found: 39
This union binding pocket(no: 1) in the query (biounit: 1h4h.bio4) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3N0Y APC 0.004781 0.42183 None
2 2GJ5 VD3 0.01676 0.41159 None
3 1KGI T4A 0.01263 0.40241 2.3622
4 2A1L PCW 0.008758 0.43118 3.34928
5 3SAO NKN 0.002098 0.41225 3.75
6 3BRN SRO 0.002347 0.45098 3.82166
7 1JIF CU BLM 0.005744 0.42276 4.09836
8 1Y0G 8PP 0.01336 0.42124 4.18848
9 3AMN CBK 0.003216 0.42974 4.30622
10 3AMN CBI 0.003216 0.42974 4.30622
11 5H4R CTT 0.004966 0.42247 4.30622
12 4YVN EBS 0.01364 0.41157 4.30622
13 4MAE PQQ 0.009876 0.40232 4.30622
14 5J8O 6GZ 0.005043 0.40953 4.83871
15 2JEN GLC GLC BGC XYS BGC XYS 0.03239 0.44535 5.26316
16 1ZM1 BGC BGC BGC 0.005759 0.40698 5.26316
17 4LOC OXM 0.01356 0.40187 5.26316
18 1ZB6 GST 0.009859 0.41452 5.74163
19 3EEB IHP 0.004392 0.4122 5.74163
20 1U0A BGC BGC BGC BGC 0.007794 0.40114 5.74163
21 2Y9G LAT 0.01835 0.41195 6
22 2Y9G LBT 0.01835 0.41195 6
23 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.01815 0.41728 6.2201
24 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 0.01793 0.41838 7.17703
25 2BWA GLC BGC 0.002138 0.41122 7.17703
26 2VUZ NAG BMA NAG MAN MAN NAG NAG 0.01744 0.40817 7.75194
27 3AGC RCC 0.004026 0.42996 8.61244
28 3QUZ QUV 0.02203 0.41703 8.61244
29 5D6T NGA 0.001674 0.4408 9.09091
30 2Z77 HE7 0.01511 0.40447 9.35252
31 2NLR BGC BGC G2F SHG 0.00758 0.40546 10.0478
32 5TVM PUT 0.02133 0.40327 10.5882
33 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 0.008629 0.42763 12.4402
34 3SCM LGN 0.04663 0.40258 13.0435
35 2C42 PYR 0.01738 0.40413 13.8756
36 2C42 TPP 0.01738 0.40413 13.8756
37 1KJ1 MAN 0.01175 0.405 17.4312
38 5IXG OTP 0.004191 0.44878 17.7515
39 2FTB OLA 0.02449 0.40152 19.2
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