Receptor
PDB id Resolution Class Description Source Keywords
4PN2 1.42 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF GH10 ENDO-B-1,4-XYLANASE (XYNB) FROM XA AXONOPODIS PV CITRI COMPLEXED WITH XYLOTRIOSE XANTHOMONAS AXONOPODIS PV. CITRI XYLANASE HYDROLASE
Ref.: MOLECULAR MECHANISMS ASSOCIATED WITH XYLAN DEGRADAT XANTHOMONAS PLANT PATHOGENS. J.BIOL.CHEM. V. 289 32186 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYP XYP B:402;
A:402;
 Valid;
Valid;
 none;
none;
 submit data
412.344 n/a O=C1C...
CA B:401;
A:401;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PMZ 1.4 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF GH10 ENDO-B-1,4-XYLANASE (XYNB) FROM XA AXONOPODIS PV CITRI COMPLEXED WITH XYLOBIOSE XANTHOMONAS AXONOPODIS PV. CITRI XYLANASE HYDROLASE
Ref.: MOLECULAR MECHANISMS ASSOCIATED WITH XYLAN DEGRADAT XANTHOMONAS PLANT PATHOGENS. J.BIOL.CHEM. V. 289 32186 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 4PN2 - XYP XYP XYP n/a n/a
2 4PMY - XYP C5 H10 O5 C1[C@H]([C....
3 4PMZ - 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 271 families.
1 4PN2 - XYP XYP XYP n/a n/a
2 4PMY - XYP C5 H10 O5 C1[C@H]([C....
3 4PMZ - XYP XYP n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 4PN2 - XYP XYP XYP n/a n/a
2 4PMY - XYP C5 H10 O5 C1[C@H]([C....
3 4PMZ - 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 : 4PMZ; Ligand: XYP XYP; Similar sites found with APoc: 16
This union binding pocket(no: 1) in the query (biounit: 4pmz.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2WZE XYP XYP XYP 31.3531
2 2W5F XYP XYP XYP 31.6832
3 2FGL XYS XYS XYS 32.3432
4 1FH8 XYP XIF 35.3135
5 1B3X XYP XYP XYP 37.7483
6 3EMZ HXH 38.2838
7 1UR1 XYS XYP AHR 38.9439
8 3WUG XYP 39.604
9 3WUG XYP 39.604
10 3WUG XYP 39.604
11 3WUG XYP 39.604
12 1V0L XIF XYP 40.5941
13 1US2 XYP XYP XYP XYP 41.2541
14 3W25 XYP XYP 41.9142
15 1R87 XYP XYP XYP 42.5743
16 1VBR XYP XYS 42.5743
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