Receptor
PDB id Resolution Class Description Source Keywords
4QPW 1.14 Å EC: 3.-.-.- BIXYN10A CBM1 WITH XYLOHEXAOSE BOUND BACTEROIDES INTESTINALIS DSM 17393 CARBOHYDRATE-BINDING MODULE (CBM) HYDROLASE
Ref.: XYLAN UTILIZATION IN HUMAN GUT COMMENSAL BACTERIA I ORCHESTRATED BY UNIQUE MODULAR ORGANIZATION OF POLYSACCHARIDE-DEGRADING ENZYMES. PROC.NATL.ACAD.SCI.USA V. 111 E3708 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYP XYP A:901;
Valid;
none;
submit data
414.36 n/a O(C1O...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QPW 1.14 Å EC: 3.-.-.- BIXYN10A CBM1 WITH XYLOHEXAOSE BOUND BACTEROIDES INTESTINALIS DSM 17393 CARBOHYDRATE-BINDING MODULE (CBM) HYDROLASE
Ref.: XYLAN UTILIZATION IN HUMAN GUT COMMENSAL BACTERIA I ORCHESTRATED BY UNIQUE MODULAR ORGANIZATION OF POLYSACCHARIDE-DEGRADING ENZYMES. PROC.NATL.ACAD.SCI.USA V. 111 E3708 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 4QPW - XYP XYP 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 176 families.
1 4QPW - XYP XYP 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 143 families.
1 4QPW - XYP XYP XYP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP XYP 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 : 4QPW; Ligand: XYP XYP XYP; Similar sites found: 48
This union binding pocket(no: 1) in the query (biounit: 4qpw.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HA0 LTD 0.001222 0.44337 None
2 1TMM HHR 0.00646 0.42383 None
3 1TMM APC 0.006773 0.42383 None
4 3ZXE PGZ 0.0003763 0.42071 None
5 1OPB RET 0.005572 0.41281 None
6 4TW7 37K 0.003151 0.41043 None
7 4HN1 TYD 0.0002287 0.4985 1.40845
8 3MTX PGT 0.003181 0.4303 2.11268
9 4YZC STU 0.004932 0.41462 2.11268
10 4DSU BZI 0.001972 0.40445 2.11268
11 4WKB TDI 0.007962 0.40201 2.11268
12 4QYN RTL 0.003714 0.44499 2.25564
13 5UQD AKG 0.01574 0.40632 2.8169
14 3WV8 ATP 0.007924 0.40149 2.8169
15 2DKH FAD 0.01833 0.41745 3.52113
16 2IW3 ADP 0.002129 0.41645 3.52113
17 5DQ8 FLF 0.003281 0.41619 3.52113
18 1YEJ PNF 0.007579 0.40786 3.52113
19 3A7R LAQ 0.007939 0.4375 4.22535
20 3T1A 5MA 0.002897 0.43646 4.22535
21 1N07 FMN 0.0227 0.41855 4.22535
22 5H2D ERG 0.01037 0.41832 4.22535
23 3QP8 HL0 0.03058 0.41114 4.22535
24 1TFZ 869 0.00538 0.40836 4.22535
25 4RYV ZEA 0.005226 0.40716 4.22535
26 4JHG ZEA 0.02495 0.42161 4.92958
27 4YLZ LAT NAG GAL 0.001068 0.41121 4.92958
28 5BYZ 4WE 0.003201 0.41017 4.92958
29 4A4X JUP 0.02723 0.40526 4.92958
30 5BVE 4VG 0.002484 0.43732 5.6338
31 4AZT LY2 0.001097 0.43282 5.6338
32 4C2V YJA 0.02069 0.41856 5.6338
33 4AZ6 OAN 0.012 0.41744 5.6338
34 3FW4 CAQ 0.003971 0.42452 6.33803
35 5VC5 96M 0.008639 0.42091 6.33803
36 4B7P 9UN 0.00533 0.40503 6.33803
37 4ZU4 4TG 0.0005448 0.4311 7.74648
38 3TAY MN0 0.009271 0.42403 7.74648
39 4BJZ P3A 0.002343 0.49583 8.4507
40 5H9Y BGC BGC BGC BGC 0.00301 0.40538 8.4507
41 4RT1 C2E 0.003874 0.41027 9.82143
42 5DRB 5FJ 0.02988 0.41122 9.85915
43 4WN5 MVC 0.003322 0.40993 10.4348
44 1OJJ GLC GAL 0.02745 0.40363 10.5634
45 4XCB AKG 0.005814 0.41012 11.2676
46 4P25 FUC GAL NAG FUC 0.0115 0.404 14.0845
47 2YG2 S1P 0.001583 0.48532 15.493
48 3L9R L9Q 0.006066 0.44177 19.3878
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