Receptor
PDB id Resolution Class Description Source Keywords
5L6G 1.79 Å EC: 1.1.3.- XYLOOLIGOSACCHARIDE OXIDASE FROM MYCELIOPHTHORA THERMOPHILA COMPLEX WITH XYLOSE MYCELIOPHTHORA THERMOPHILA (STRAIN ATCBCRC 31852 / DSM 1799) FAD CAZY OLIGOSACCHARIDE XYLOSE XYLAN OXIDOREDUCTASE
Ref.: DISCOVERY OF A XYLOOLIGOSACCHARIDE OXIDASE FROM MYCELIOPHTHORA THERMOPHILA C1. J.BIOL.CHEM. V. 291 23709 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG A:504;
A:502;
Invalid;
Invalid;
none;
none;
submit data
408.404 n/a O=C(N...
XYS A:512;
Valid;
none;
submit data
150.13 C5 H10 O5 C1[C@...
FAD A:501;
Invalid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
XYP A:511;
A:509;
A:510;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
150.13 C5 H10 O5 C1[C@...
NAG A:508;
A:506;
A:507;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L6G 1.79 Å EC: 1.1.3.- XYLOOLIGOSACCHARIDE OXIDASE FROM MYCELIOPHTHORA THERMOPHILA COMPLEX WITH XYLOSE MYCELIOPHTHORA THERMOPHILA (STRAIN ATCBCRC 31852 / DSM 1799) FAD CAZY OLIGOSACCHARIDE XYLOSE XYLAN OXIDOREDUCTASE
Ref.: DISCOVERY OF A XYLOOLIGOSACCHARIDE OXIDASE FROM MYCELIOPHTHORA THERMOPHILA C1. J.BIOL.CHEM. V. 291 23709 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5L6F - BXP C10 H18 O9 C1[C@H]([C....
2 5L6G - XYS C5 H10 O5 C1[C@H]([C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5L6F - BXP C10 H18 O9 C1[C@H]([C....
2 5L6G - XYS C5 H10 O5 C1[C@H]([C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5L6F - BXP C10 H18 O9 C1[C@H]([C....
2 5L6G - XYS C5 H10 O5 C1[C@H]([C....
3 2AXR - ABL C12 H21 N O10 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYS; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP 1 1
2 0MK 1 1
3 RIP 1 1
4 LXC 1 1
5 ARA 1 1
6 ARB 1 1
7 XYS 1 1
8 HSY 1 1
9 BXP 0.414634 0.84375
10 XYP XYP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 XYS XYS 0.414634 0.84375
13 XYP XYS 0.414634 0.84375
14 FU4 0.4 0.896552
Ligand no: 2; Ligand: XYP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP 1 1
2 0MK 1 1
3 RIP 1 1
4 LXC 1 1
5 ARA 1 1
6 ARB 1 1
7 XYS 1 1
8 HSY 1 1
9 BXP 0.414634 0.84375
10 XYP XYP 0.414634 0.84375
11 XYS XYP 0.414634 0.84375
12 XYS XYS 0.414634 0.84375
13 XYP XYS 0.414634 0.84375
14 FU4 0.4 0.896552
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L6G; Ligand: XYS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5l6g.bio1) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5L6G; Ligand: XYP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5l6g.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5L6G; Ligand: XYP; Similar sites found: 51
This union binding pocket(no: 3) in the query (biounit: 5l6g.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QK4 ATP 0.01063 0.40583 1.32743
2 4IJP 1EH 0.02845 0.40106 1.67598
3 1UA4 BGC 0.009262 0.41591 1.75824
4 1UA4 GLC 0.009262 0.41591 1.75824
5 3B9A NAG NAG NAG NAG NAG NAG 0.03763 0.40322 1.81087
6 1RO7 CSF 0.01699 0.41348 1.9305
7 5IH9 6BF 0.02757 0.40862 2.08955
8 4QWT ACD 0.02689 0.40202 2.41449
9 2AGC DAO 0.004124 0.43611 2.46914
10 4Q0L V14 0.01584 0.41206 2.6616
11 4V24 GYR 0.01769 0.42056 2.96496
12 1OBD ATP 0.02293 0.40607 3.26797
13 3RGA ILD 0.006387 0.44261 3.53357
14 1ZB6 DIN 0.009927 0.43502 3.58306
15 1LN1 DLP 0.02264 0.42047 4.20561
16 5HCY 60D 0.02175 0.43034 4.22961
17 4OMJ 2TX 0.01648 0.41394 4.67626
18 4K6B GLU 0.0008771 0.40814 4.96894
19 4CYI ATP 0.01463 0.41858 5.02283
20 4AZP A9M 0.01402 0.42816 5.07246
21 3IX8 TX3 0.01706 0.41114 5.20231
22 4QYN RTL 0.01019 0.43339 5.26316
23 3MTX PGT 0.01836 0.41005 5.29801
24 5ML3 DL3 0.003548 0.47027 5.36913
25 4UHL VFV 0.03039 0.42185 5.38117
26 5MY8 RXZ 0.01869 0.41439 5.48303
27 2GJ5 VD3 0.01307 0.43807 5.55556
28 5BV3 M7G 0.009926 0.42021 5.7971
29 1GQG DCD 0.008731 0.42279 6
30 3KMW ATP 0.004022 0.45236 6.20155
31 3MHA Z69 0.003339 0.45097 6.89655
32 2Z77 HE7 0.03924 0.4084 7.19424
33 3JRS A8S 0.006503 0.43017 7.21154
34 2CM4 RCL 0.003479 0.45135 7.33333
35 4RLT FSE 0.01327 0.40977 7.48299
36 2YG2 S1P 0.0006066 0.4937 7.55814
37 2YG2 FLC 0.0007509 0.4937 7.55814
38 4FFG 0U8 0.01102 0.40463 7.72358
39 1IND EOT 0.009496 0.40882 7.9646
40 4P25 FUC GAL NAG FUC 0.01346 0.42102 8.27815
41 2WCJ M21 0.03998 0.40132 8.51064
42 2P7Q GG6 0.01383 0.40279 9.02256
43 5DQ8 FLF 0.004474 0.44675 9.16667
44 5CFT APC 0.01908 0.40308 9.72973
45 1ERB ETR 0.02891 0.40462 9.83607
46 2FXD DR7 0.01476 0.41451 10.101
47 1ZTH ADP 0.01316 0.40923 11.6279
48 2UUU FAD 0.0219 0.43066 14.0845
49 5IXG OTP 0.04604 0.40882 14.7929
50 3W8X FAD 0.000677 0.50847 44.0171
51 3W8X FTK 0.0003554 0.48396 44.0171
Pocket No.: 4; Query (leader) PDB : 5L6G; Ligand: XYP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5l6g.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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