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Receptor
PDB id Resolution Class Description Source Keywords
3CZL 2 Å EC: 3.2.1.48 CRYSTAL STRUCTURE ANALYSIS OF SUCROSE HYDROLASE(SUH) E322Q-G COMPLEX XANTHOMONAS AXONOPODIS PV. GLYCINES (ALPHA/BETA)8-BARREL HYDROLASE
Ref.: CRYSTAL STRUCTURES AND MUTAGENESIS OF SUCROSE HYDRO XANTHOMONAS AXONOPODIS PV. GLYCINES: INSIGHT INTO T EXCLUSIVELY HYDROLYTIC AMYLOSUCRASE FOLD. J.MOL.BIOL. V. 380 636 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC A:3497;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CZG 1.8 Å EC: 3.2.1.48 CRYSTAL STRUCTURE ANALYSIS OF SUCROSE HYDROLASE (SUH)-GLUCOS XANTHOMONAS AXONOPODIS PV. GLYCINES (ALPHA/BETA)8-BARREL HYDROLASE
Ref.: CRYSTAL STRUCTURES AND MUTAGENESIS OF SUCROSE HYDRO XANTHOMONAS AXONOPODIS PV. GLYCINES: INSIGHT INTO T EXCLUSIVELY HYDROLYTIC AMYLOSUCRASE FOLD. J.MOL.BIOL. V. 380 636 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CZG - GLC C6 H12 O6 C([C@@H]1[....
2 3CZL - GLC C6 H12 O6 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3CZG - GLC C6 H12 O6 C([C@@H]1[....
2 3CZL - GLC C6 H12 O6 C([C@@H]1[....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1MW3 - SUC C12 H22 O11 C([C@@H]1[....
2 1MW2 - SUC C12 H22 O11 C([C@@H]1[....
3 1MVY - GLC GLC GLC GLC n/a n/a
4 4FLS - SUC C12 H22 O11 C([C@@H]1[....
5 1MW0 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
6 1JGI - SUC C12 H22 O11 C([C@@H]1[....
7 1ZS2 - GLC GLC GLC GLC n/a n/a
8 1JG9 - GLC C6 H12 O6 C([C@@H]1[....
9 3UEQ - OTU C12 H22 O11 C([C@@H]1[....
10 1MW1 - SUC C12 H22 O11 C([C@@H]1[....
11 5N7J - SUC C12 H22 O11 C([C@@H]1[....
12 3CZG - GLC C6 H12 O6 C([C@@H]1[....
13 3CZL - GLC C6 H12 O6 C([C@@H]1[....
14 3UER - TUR C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CZG; Ligand: GLC; Similar sites found with APoc: 55
This union binding pocket(no: 1) in the query (biounit: 3czg.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4TVD BGC 2.01863
2 6AMI TRP 2.0202
3 1JDC GLC GLC GLC GLC 2.0979
4 5FLJ QUE 2.15054
5 2X6T NAP 2.2409
6 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 2.30496
7 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 2.30496
8 1EQ2 NAP 2.58065
9 1ESW ACR 2.6
10 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 3.10559
11 2FHF GLC GLC GLC GLC 3.72671
12 3KLL MAL 3.72671
13 4S3R 7SA 3.88199
14 1G94 DAF GLC DAF GLC GLC 4.24107
15 2RG0 CBI 5.5814
16 1UA7 ACI GLD GLC ACI G6D BGC 5.74534
17 4ITU 1HS 6.69145
18 4ITU NAI 6.69145
19 3BMW GLC GLC G6D ACI GLC GLC GLC 7.45342
20 8CGT TM6 7.45342
21 2GJP BGC GLC DAF GLC GLC GLC DAF 7.62887
22 1GJW MAL 7.84929
23 3EDF CE6 8.15308
24 3EDF ACX 8.15308
25 4U31 MVP 8.54037
26 1VB9 GLC GLC GLC GLC GLC GLC 8.54701
27 6BS6 GLC GLC GLC GLC 8.69565
28 6BS6 GLC GLC GLC GLC GLC GLC GLC 8.69565
29 1J0I GLC GLC GLC 9.35374
30 1UKQ GLC ACI G6D GLC 9.78261
31 4E2O ACI G6D GLC ACI G6D BGC 9.91189
32 1UH4 GLC GLC GLC 10.2041
33 4W93 3L9 10.2823
34 1PIG AGL GLC HMC AGL GLC BGC 10.6855
35 2D3N GLC 10.7216
36 2D3N GLC GLC GLC GLC GLC GLC 10.7216
37 2D3N GLC GLC GLC GLC 10.7216
38 6A0J GLC GLC GLC GLC 11.0403
39 1QHO ABD 11.1801
40 2CXG GLC G6D ACI GLC 12.1118
41 5CGM MAL 12.1118
42 5A2B MAL 13.2797
43 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 13.3556
44 5BRP PNG 14.2606
45 4HPH SUC 15.0268
46 3GBE NOJ 15.0538
47 3WY2 BGC 15.4275
48 5DO8 BGC 15.4955
49 2ZID GLC GLC GLC 15.8379
50 5WCZ NOJ 16.5529
51 3AXI GLC 16.9779
52 5ZCE MTT 17.1171
53 2PWG CTS 17.3913
54 2GDV BGC 18.254
55 1LWJ ACG 19.7279
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