Receptor
PDB id Resolution Class Description Source Keywords
1UY4 1.69 Å EC: 3.-.-.- BINDING SUB-SITE DISSECTION OF A FAMILY 6 CARBOHYDRATE-BINDI BY X-RAY CRYSTALLOGRAPHY AND ISOTHERMAL TITRATION CALORIMET CLOSTRIDIUM STERCORARIUM CARBOHYDRATE-BINDING MODULE THERMODYNAMICS PROTEIN STRUCTUXYLAN PROTEIN-CARBOHYDRATE INTERACTIONS
Ref.: BINDING SUB-SITE DISSECTION OF A CARBOHYDRATE-BINDI REVEALS THE CONTRIBUTION OF ENTROPY TO OLIGOSACCHAR RECOGNITION AT "NON-PRIMARY" BINDING SUBSITES. J.MOL.BIOL. V. 340 869 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1147;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GOL A:1152;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NA A:1146;
Part of Protein;
none;
submit data
22.99 Na [Na+]
XYP XYP XYP XYP A:1148;
Valid;
none;
submit data
546.475 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1UY4 1.69 Å EC: 3.-.-.- BINDING SUB-SITE DISSECTION OF A FAMILY 6 CARBOHYDRATE-BINDI BY X-RAY CRYSTALLOGRAPHY AND ISOTHERMAL TITRATION CALORIMET CLOSTRIDIUM STERCORARIUM CARBOHYDRATE-BINDING MODULE THERMODYNAMICS PROTEIN STRUCTUXYLAN PROTEIN-CARBOHYDRATE INTERACTIONS
Ref.: BINDING SUB-SITE DISSECTION OF A CARBOHYDRATE-BINDI REVEALS THE CONTRIBUTION OF ENTROPY TO OLIGOSACCHAR RECOGNITION AT "NON-PRIMARY" BINDING SUBSITES. J.MOL.BIOL. V. 340 869 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 1UY4 - XYP XYP XYP XYP n/a n/a
2 1UY3 - XYP XYP XYP n/a n/a
3 1UY2 - 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 176 families.
1 1UY4 - XYP XYP XYP XYP n/a n/a
2 1UY3 - XYP XYP XYP n/a n/a
3 1UY2 - XYP XYP n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1NAE - XYP XYP XYP n/a n/a
2 1O8S - BGC BGC n/a n/a
3 1OD3 - BGC BGC n/a n/a
4 1UY4 - XYP XYP XYP XYP n/a n/a
5 1UY3 - XYP XYP XYP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: XYP 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 : 1UY4; Ligand: XYP XYP XYP XYP; Similar sites found: 50
This union binding pocket(no: 1) in the query (biounit: 1uy4.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1S17 GNR 0.01469 0.41494 None
2 4DR9 BB2 0.01894 0.40452 None
3 3R5Y F42 0.03502 0.4008 None
4 1RL4 BRR 0.01588 0.40039 None
5 3UWB BB2 0.01985 0.41289 2.06897
6 1USF NAP 0.03013 0.4124 2.06897
7 1USF FMN 0.02614 0.4124 2.06897
8 2EW5 Y12 0.0183 0.41058 2.06897
9 2JFN GLU 0.01673 0.40314 2.06897
10 2WSB NAD 0.02293 0.42095 2.75862
11 1S7G NAD 0.03399 0.40861 2.75862
12 1O9J NAD 0.03641 0.4062 2.75862
13 2GJN FMN 0.03055 0.40367 2.75862
14 1J0D 5PA 0.04164 0.40011 2.75862
15 3LXK MI1 0.02328 0.41689 3.44828
16 3M6P BB2 0.01338 0.41636 3.44828
17 4NAT 2W5 0.03287 0.41582 3.44828
18 3A4V NAD 0.04128 0.41337 3.44828
19 2RC5 FAD 0.02259 0.40083 3.44828
20 1NW5 SAM 0.005185 0.43934 4.13793
21 1Q0H NDP 0.009286 0.45496 4.82759
22 1Q0H FOM 0.00871 0.45496 4.82759
23 3VRY B43 0.02017 0.41509 4.82759
24 1T0I FMN 0.0143 0.41013 4.82759
25 3ND6 ATP 0.02071 0.42316 5.26316
26 4RPL FAD 0.03717 0.42748 5.51724
27 2HS3 FGR 0.02488 0.40559 5.51724
28 3C8Z 5CA 0.01864 0.40177 5.51724
29 4DQL NAP 0.04813 0.4017 6.2069
30 4DQL FAD 0.02723 0.40134 6.2069
31 3G5K BB2 0.01477 0.40927 6.89655
32 1KC7 PPR 0.008567 0.40898 6.89655
33 1CZA G6P 0.01281 0.40799 6.89655
34 4XUC SAM 0.01875 0.42193 7.58621
35 4XUC 43G 0.01875 0.42193 7.58621
36 1G0N NDP 0.04279 0.40069 7.58621
37 3GGU 017 0.02937 0.40735 8.08081
38 1SB8 NAD 0.04772 0.40989 8.27586
39 3MAX LLX 0.02432 0.40772 8.96552
40 3VGL BGC 0.01005 0.40293 8.96552
41 5D63 FUC GAL GLA 0.02125 0.40987 9.65517
42 2WET FAD 0.04985 0.40553 9.65517
43 1N7G GDR 0.01949 0.44628 10.3448
44 4I9B NAD 0.02625 0.4031 10.3448
45 5ECP ATP 0.02635 0.42328 11.0345
46 1U00 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.02375 0.40163 11.4537
47 4FAJ LEU VAL THR LEU VAL PHE VAL 0.02396 0.41433 13.1034
48 3HXU A5A 0.01502 0.41271 14.4828
49 1WS1 BB2 0.01602 0.40835 14.4828
50 5UAO FAD 0.04625 0.40429 15.8621
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