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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(C1C...
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 253 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 209 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 (6)
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 1W9T - XYP XYP n/a n/a
5 1UY4 - XYP XYP XYP XYP n/a n/a
6 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 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 : 1UY4; Ligand: XYP XYP XYP XYP; Similar sites found with APoc: 93
This union binding pocket(no: 1) in the query (biounit: 1uy4.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1S17 GNR None
2 4DR9 BB2 None
3 5KBZ 3B2 None
4 3R5Y F42 None
5 1RL4 BRR None
6 5BJX UDP 1.37931
7 4WNP 3RJ 1.37931
8 3HB5 NAP 2.06897
9 2GN4 UD1 2.06897
10 3UWB BB2 2.06897
11 1USF FMN 2.06897
12 1USF NAP 2.06897
13 2EW5 Y12 2.06897
14 2JFN GLU 2.06897
15 4UBT COA 2.06897
16 6CZ3 FLJ 2.75862
17 5O0B 9FE 2.75862
18 2WSB NAD 2.75862
19 5CAE SIN 2.75862
20 1S7G NAD 2.75862
21 1O9J NAD 2.75862
22 5CAE COA 2.75862
23 2GJN FMN 2.75862
24 1J0D 5PA 2.75862
25 3A4V NAD 3.44828
26 3LXK MI1 3.44828
27 5N2I NAP 3.44828
28 3M6P BB2 3.44828
29 4NAT 2W5 3.44828
30 4NAT ADP 3.44828
31 3A4V PYR 3.44828
32 5YF9 NIO 3.44828
33 2RC5 FAD 3.44828
34 1NW5 SAM 4.13793
35 4YMH SAH 4.13793
36 1G27 BB1 4.13793
37 3BNK FMN 4.13793
38 1XG5 NAP 4.13793
39 1Q0H FOM 4.82759
40 1Q0H NDP 4.82759
41 1T0I FMN 4.82759
42 5MTE BB2 5.10949
43 3ND6 ATP 5.26316
44 4RPL FAD 5.51724
45 6MVU K4V 5.51724
46 2HS3 FGR 5.51724
47 3C8Z 5CA 5.51724
48 2XBP ATP 6.19469
49 4Y93 746 6.2069
50 5UAV NDP 6.2069
51 4DQL NAP 6.2069
52 4DQL FAD 6.2069
53 1HDG NAD 6.2069
54 3WGT QSC 6.89655
55 3G5K BB2 6.89655
56 1KC7 PPR 6.89655
57 1CZA G6P 6.89655
58 2X1L ADN 6.89655
59 3I8P 840 6.89655
60 3ZXR P3S 7.58621
61 3ZXR IQ1 7.58621
62 5XWC 8GL 7.58621
63 5XWC NAP 7.58621
64 5XWC 2IT 7.58621
65 1G0N NDP 7.58621
66 3GGU 017 8.08081
67 1VL0 NAI 8.27586
68 5GVL GI8 8.27586
69 5GVL PLG 8.27586
70 1SB8 NAD 8.27586
71 3MAX LLX 8.96552
72 3VGL BGC 8.96552
73 5D63 FUC GAL GLA 9.65517
74 5OGX FAD 9.65517
75 2WET FAD 9.65517
76 1N7G GDR 10.3448
77 4EU7 COA 10.3448
78 4EU7 CIT 10.3448
79 3IWJ NAD 10.3448
80 4I9B NAD 10.3448
81 5ECP ATP 11.0345
82 4PXL NAD 11.0345
83 1U00 GLU LEU PRO PRO VAL LYS ILE HIS CYS 11.4537
84 2B5W NAP 11.7241
85 4PZ2 NAD 12.4138
86 4FAJ LEU VAL THR LEU VAL PHE VAL 13.1034
87 1B7A OPE 13.1034
88 6B5G NAD 13.7931
89 3HXU A5A 14.4828
90 1WS1 BB2 14.4828
91 4XZ9 G3P 14.4828
92 5UAO FAD 15.8621
93 2XZ9 PYR 21.3793
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