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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;
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414.36 n/a O(C1C...
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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 253 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 209 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 173 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 XYS XYS XYS XYS 1 1
2 XYP XYP XYP XYP 1 1
3 XYP XYP XYS 1 1
4 XYS XYS XYS XYS XYS 1 1
5 XYP XYP XYP XYP XYP XYP 1 1
6 XYP XYP XYP XYP XYP XYP XYP 1 1
7 XYS XYP XYP 1 1
8 XYP XYP XYP 1 1
9 XYP XYP XYP XYS 1 1
10 XYP XYS XYP 1 1
11 XYP XYP XYP XYP XYP 1 1
12 BXP 0.904762 1
13 XYS XYP 0.904762 1
14 XYP XYS 0.904762 1
15 XYS XYS XYS 0.791667 0.969697
16 XYP XYP XYP AHR 0.590909 0.888889
17 XYS XYP AHR XYP 0.590909 0.888889
18 XYP AHR XYP XYP 0.590909 0.888889
19 AHR XYP XYP XYP 0.575758 0.888889
20 AHR XYS XYP XYP XYP 0.560606 0.888889
21 XYS XYS 0.511111 0.939394
22 XYP XYP TRS 0.508197 0.711111
23 XYP XYP GCV XYP 0.506494 0.888889
24 XYS XYS AZI 0.5 0.653061
25 XYP XYP XYP GCV 0.493506 0.888889
26 GCV XYP XYP XYS 0.493506 0.888889
27 GCV XYP XYP XYP 0.493506 0.888889
28 AHR XYP XYP 0.484848 0.888889
29 XYP XYP AHR 0.484848 0.888889
30 XYS XYP AHR 0.484848 0.888889
31 AHR XYS XYS 0.484848 0.888889
32 XYS XYS NPO 0.455882 0.615385
33 XYP XDN 0.438596 0.704545
34 XIF XYP 0.438596 0.659574
35 XYP XIF 0.438596 0.659574
36 XDN XYP 0.438596 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 with APoc: 79
This union binding pocket(no: 1) in the query (biounit: 4qpw.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2GJ5 VD3 None
2 5HZ5 65X None
3 4CS4 ANP None
4 5HA0 LTD None
5 4CS4 AXZ None
6 1TMM APC None
7 1TMM HHR None
8 3ZXE PGZ None
9 1OPB RET None
10 4TW7 37K None
11 4WKC BIG 0.816327
12 3MTX PGT 2.11268
13 4YZC STU 2.11268
14 3KYG 5GP 5GP 2.11268
15 4WKB TDI 2.11268
16 4QYN RTL 2.25564
17 5UQD AKG 2.8169
18 3WV8 ATP 2.8169
19 2DKH FAD 3.52113
20 2IW3 ADP 3.52113
21 5DQ8 FLF 3.52113
22 6EWZ GTP 3.52113
23 1YEJ PNF 3.52113
24 1QIN GIP 4.22535
25 3A7R LAQ 4.22535
26 3T1A 5MA 4.22535
27 1N07 FMN 4.22535
28 5H2D ERG 4.22535
29 3QP8 HL0 4.22535
30 1TFZ 869 4.22535
31 4RYV ZEA 4.22535
32 1VA6 P2S 4.22535
33 4WUP 3UF 4.22535
34 1VA6 ADP 4.22535
35 2Z77 HE7 4.31655
36 4NV7 COA 4.92958
37 4JHG ZEA 4.92958
38 4D5B ACX 4.92958
39 3H5N ATP 4.92958
40 4YLZ LAT NAG GAL 4.92958
41 6E08 NAP 4.92958
42 4A4X JUP 4.92958
43 5TBM 79A 5.12821
44 1NYW DAU 5.6338
45 5LXT ACP 5.6338
46 5BVE 4VG 5.6338
47 5ALC TIQ 5.6338
48 4C2V YJA 5.6338
49 4AZ6 OAN 5.6338
50 4NZN ANP 5.6338
51 4NZN 2OU 5.6338
52 5UC4 83S 5.6338
53 5YBN AKG 5.6338
54 2V58 LZJ 5.6338
55 5FKP 6UL 6.06061
56 3A6T 8OG 6.20155
57 3FW4 CAQ 6.33803
58 5VC5 96M 6.33803
59 4B7P 9UN 6.33803
60 5YRV 5AD 7.04225
61 4ZU4 4TG 7.74648
62 4BJZ P3A 8.4507
63 4BJZ FAD 8.4507
64 5H9Y BGC BGC BGC BGC 8.4507
65 4RT1 C2E 9.82143
66 1E1O LYS 9.85915
67 5DRB 5FJ 9.85915
68 4WN5 MVC 10.4348
69 1OJJ GLC GAL 10.5634
70 1KDK DHT 11.2676
71 3ILR SGN IXD 11.2676
72 4XCB AKG 11.2676
73 1SDW IYT 11.9718
74 4P25 FUC GAL NAG FUC 14.0845
75 2YG2 S1P 15.493
76 6F5U CQN 19.0141
77 3L9R L9Q 19.3878
78 4F7E 0SH 19.3878
79 3E9I XAH 35.9155
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