Receptor
PDB id Resolution Class Description Source Keywords
4U6D 1.7 Å EC: 3.2.1.- ZG3615, A FAMILY 117 GLYCOSIDE HYDROLASE IN COMPLEX WITH BET ANHYDRO-L-GALACTOSE ZOBELLIA GALACTANIVORANS GH117 HYDROLASE BICYCLIC SUGAR
Ref.: BIOCHEMICAL AND STRUCTURAL INVESTIGATION OF TWO PAR GLYCOSIDE HYDROLASES FROM ZOBELLIA GALACTANIVORANS: INSIGHTS INTO THE EVOLUTION, DIMERIZATION PLASTICIT CATALYTIC MECHANISM OF THE GH117 FAMILY. ACTA CRYSTALLOGR.,SECT.D V. 71 209 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:516;
A:518;
A:509;
B:505;
A:507;
A:514;
A:519;
A:517;
A:505;
B:504;
A:504;
A:513;
A:510;
A:520;
B:507;
A:515;
B:503;
A:511;
A:506;
A:508;
B:506;
A:512;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
3DY A:521;
 Valid;
 none;
 submit data
162.141 C6 H10 O5 C1[C@...
CA A:502;
B:502;
B:501;
A:501;
 Invalid;
Part of Protein;
Invalid;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
PEG A:503;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4U6D 1.7 Å EC: 3.2.1.- ZG3615, A FAMILY 117 GLYCOSIDE HYDROLASE IN COMPLEX WITH BET ANHYDRO-L-GALACTOSE ZOBELLIA GALACTANIVORANS GH117 HYDROLASE BICYCLIC SUGAR
Ref.: BIOCHEMICAL AND STRUCTURAL INVESTIGATION OF TWO PAR GLYCOSIDE HYDROLASES FROM ZOBELLIA GALACTANIVORANS: INSIGHTS INTO THE EVOLUTION, DIMERIZATION PLASTICIT CATALYTIC MECHANISM OF THE GH117 FAMILY. ACTA CRYSTALLOGR.,SECT.D V. 71 209 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4U6D - 3DY C6 H10 O5 C1[C@H]2[C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4U6D - 3DY C6 H10 O5 C1[C@H]2[C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4U6D - 3DY C6 H10 O5 C1[C@H]2[C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3DY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3DY 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 3DY; Similar ligands found: 140
No: Ligand Similarity coefficient
1 SVJ 0.9722
2 PTO 0.9713
3 TNE 0.9712
4 RIP 0.9502
5 SOE 0.9350
6 LXC 0.9322
7 FUF 0.9314
8 ASO 0.9280
9 4PW 0.9277
10 CGB 0.9265
11 G2F 0.9254
12 AFR 0.9245
13 NOJ 0.9235
14 6HQ 0.9197
15 CAM 0.9186
16 XYS 0.9186
17 FRU 0.9168
18 5DI 0.9155
19 64K 0.9155
20 SEJ 0.9155
21 2H5 0.9143
22 0MK 0.9140
23 DMJ 0.9139
24 ABE 0.9124
25 RAM 0.9109
26 BMA 0.9105
27 IFL 0.9101
28 PAV 0.9096
29 FCA 0.9093
30 RUU 0.9087
31 FUB 0.9072
32 GCS 0.9071
33 PSV 0.9067
34 AHR 0.9059
35 DFU 0.9056
36 2BN 0.9054
37 ARB 0.9050
38 XLS 0.9049
39 CAE 0.9047
40 MAN 0.9047
41 DGJ 0.9030
42 FX1 0.9030
43 TCM 0.9027
44 BGC 0.9021
45 FUL 0.9015
46 KDF 0.9009
47 32O 0.9004
48 XYP 0.9001
49 34V 0.8999
50 BDR 0.8987
51 TLA 0.8986
52 948 0.8977
53 G4D 0.8976
54 FUC 0.8975
55 BDF 0.8973
56 TAR 0.8971
57 GAF 0.8957
58 WOO 0.8955
59 LRH 0.8955
60 ARA 0.8953
61 YTB 0.8940
62 NCM 0.8938
63 MFU 0.8927
64 GLA 0.8921
65 OFQ 0.8920
66 GXL 0.8910
67 X6X 0.8899
68 GLC 0.8894
69 ARW 0.8887
70 MLT 0.8883
71 B0D 0.8876
72 ADO 0.8868
73 CAH 0.8868
74 FLA 0.8863
75 TMH 0.8859
76 XXR 0.8858
77 PAF 0.8846
78 SRT 0.8844
79 IFM 0.8837
80 ITN 0.8829
81 308 0.8827
82 CNL 0.8815
83 ENL 0.8811
84 YIO 0.8809
85 EDG 0.8805
86 95Z 0.8802
87 CRN 0.8802
88 LCN 0.8799
89 3SL 0.8799
90 RBL 0.8794
91 GAL 0.8791
92 KPL 0.8788
93 GLU 0.8788
94 192 0.8775
95 8EZ 0.8774
96 PBE 0.8773
97 RIB 0.8770
98 RSF 0.8765
99 149 0.8764
100 3V4 0.8759
101 DMV 0.8757
102 IMR 0.8754
103 PEP 0.8745
104 FAC 0.8744
105 LFR 0.8737
106 FA1 0.8733
107 K6H 0.8732
108 ADM 0.8723
109 AC5 0.8721
110 FA3 0.8720
111 RP7 0.8719
112 2FG 0.8706
113 XUL 0.8699
114 I2M 0.8699
115 MNM 0.8697
116 1AB 0.8687
117 UYA 0.8683
118 6LW 0.8681
119 PAE 0.8680
120 URQ 0.8678
121 YHO 0.8670
122 TFB 0.8670
123 R2B 0.8669
124 ILE 0.8659
125 SFU 0.8656
126 VAH 0.8647
127 R1X 0.8636
128 23B 0.8636
129 GOO 0.8635
130 ASN 0.8620
131 KOJ 0.8612
132 WTZ 0.8600
133 4TE 0.8598
134 VAL 0.8596
135 40O 0.8595
136 Z6J 0.8592
137 HZP 0.8565
138 MRY 0.8543
139 TFS 0.8541
140 CIZ 0.8527
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4U6D; Ligand: 3DY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4u6d.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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