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Receptor
PDB id Resolution Class Description Source Keywords
2C3W 1.81 Å EC: 3.-.-.- STRUCTURE OF CBM25 FROM BACILLUS HALODURANS AMYLASE IN COMPLEX WITH MALTOTETRAOSE BACILLUS HALODURANS SUGAR-BINDING PROTEIN CARBOHYDRATE-BINDING MODULE STARCH BINDING CARBOHYDRATE BINDING GLYCOSIDE HYDROLASE AMYLOSE AMYLOPECTIN MALTO-OLIGOSACCHARIDE CARBOHYDRATE- BINDING MODULE
Ref.: A STRUCTURAL AND FUNCTIONAL ANALYSIS OF ALPHA-GLUCAN RECOGNITION BY FAMILY 25 AND 26 CARBOHYDRATE-BINDING MODULES REVEALS A CONSERVED MODE OF STARCH RECOGNITION J.BIOL.CHEM. V. 281 587 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC A:1109;
Valid;
none;
submit data
504.438 n/a O(CC1...
GLC GLC GLC GLC A:1103;
A:1107;
B:1103;
B:1107;
C:1103;
D:1102;
D:1106;
D:1110;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
648.564 n/a OCC1O...
SO4 A:1112;
B:1110;
C:1110;
D:1114;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2C3W 1.81 Å EC: 3.-.-.- STRUCTURE OF CBM25 FROM BACILLUS HALODURANS AMYLASE IN COMPLEX WITH MALTOTETRAOSE BACILLUS HALODURANS SUGAR-BINDING PROTEIN CARBOHYDRATE-BINDING MODULE STARCH BINDING CARBOHYDRATE BINDING GLYCOSIDE HYDROLASE AMYLOSE AMYLOPECTIN MALTO-OLIGOSACCHARIDE CARBOHYDRATE- BINDING MODULE
Ref.: A STRUCTURAL AND FUNCTIONAL ANALYSIS OF ALPHA-GLUCAN RECOGNITION BY FAMILY 25 AND 26 CARBOHYDRATE-BINDING MODULES REVEALS A CONSERVED MODE OF STARCH RECOGNITION J.BIOL.CHEM. V. 281 587 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 2C3W - GLC GLC GLC GLC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2C3W - GLC GLC GLC GLC n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 2C3W - GLC GLC GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC GLC; Similar ligands found: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN MAN 1 1
2 BMA MAN MAN 1 1
3 GLC GLC GLC 1 1
4 GLC GLC GLC GLC BGC 1 1
5 GLC GLC GLC GLC GLC BGC 1 1
6 MAN BMA 0.953488 1
7 BMA MAN 0.953488 1
8 BMA GLA 0.953488 1
9 GLA GLC 0.953488 1
10 LAK 0.953488 1
11 GLA BGC 0.953488 1
12 MLB 0.953488 1
13 GAL GAL 0.953488 1
14 MAN MAN 0.953488 1
15 GLC BGC 0.953488 1
16 BGC GLA 0.953488 1
17 GLA BMA 0.953488 1
18 GLC GLC 0.953488 1
19 GAL GLC 0.953488 1
20 BGC GLC 0.953488 1
21 FUB AHR AHR 0.744681 0.857143
22 AHR AHR AHR AHR AHR AHR 0.744681 0.857143
23 MAN MAN BMA MAN 0.736842 1
24 MAN MAN MAN MAN 0.736842 1
25 AHR AHR 0.717391 0.857143
26 FUB AHR 0.717391 0.857143
27 MAN MMA 0.666667 0.942857
28 MAN BMA MAN 0.649123 1
29 GLC GLC GLC BGC 0.639344 1
30 M5S 0.612903 1
31 MAN BMA MAN MAN MAN 0.612903 1
32 MAN MAN MAN BMA MAN 0.58209 1
33 MAN MAN MAN MAN MAN MAN MAN 0.56338 1
34 STW 0.538462 0.891892
35 BMA BMA GLA BMA BMA 0.530303 1
36 MAN MMA MAN 0.52381 0.942857
37 RAF 0.523077 0.891892
38 MAN MAN MAN BMA MAN MAN MAN 0.506494 0.942857
39 NGB 0.492754 0.622642
40 BGC 0.488889 0.848485
41 GXL 0.488889 0.848485
42 GLC 0.488889 0.848485
43 GIV 0.488889 0.848485
44 MAN 0.488889 0.848485
45 BMA 0.488889 0.848485
46 WOO 0.488889 0.848485
47 GLA 0.488889 0.848485
48 GAL 0.488889 0.848485
49 ALL 0.488889 0.848485
50 AHR AHR AHR 0.483333 0.805556
51 SUC GLA 0.478873 0.891892
52 BMA MAN MAN MAN MAN 0.471429 1
53 4CQ 0.46875 0.970588
54 WZ2 0.463768 0.868421
55 NAG MAN MAN 0.459459 0.733333
56 B2G 0.45614 1
57 CBI 0.45614 1
58 LAT 0.45614 1
59 GLA GAL 0.45614 1
60 MAL 0.45614 1
61 GLA GLA 0.45614 1
62 BGC BMA 0.45614 1
63 GLC GAL 0.45614 1
64 BMA GAL 0.45614 1
65 BGC GAL 0.45614 1
66 MAB 0.45614 1
67 GAL BGC 0.45614 1
68 N9S 0.45614 1
69 CBK 0.45614 1
70 LBT 0.45614 1
71 RGG 0.454545 0.882353
72 NOJ BGC 0.451613 0.695652
73 DMJ MAN 0.451613 0.695652
74 WZ3 0.450704 0.916667
75 DEG 0.446429 0.769231
76 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.445783 0.6875
77 1GN ACY GAL ACY 1GN BGC GAL BGC 0.445783 0.6875
78 IFM MAN 0.444444 0.711111
79 EMZ 0.44 0.783784
80 M6P 0.433962 0.674419
81 M6D 0.433962 0.674419
82 BGP 0.433962 0.674419
83 G6P 0.433962 0.674419
84 BG6 0.433962 0.674419
85 A6P 0.433962 0.674419
86 DGD 0.433735 0.733333
87 GAL GAL SO4 0.432836 0.66
88 EBQ 0.431034 0.789474
89 MAN GLC 0.431034 1
90 M3M 0.431034 1
91 EBG 0.431034 0.837838
92 LB2 0.431034 1
93 NGR 0.431034 1
94 BGC BGC XYS BGC 0.426667 0.942857
95 BMA MAN BMA 0.42623 1
96 CTR 0.42623 1
97 CE5 0.42623 1
98 GLC BGC BGC BGC BGC 0.42623 1
99 MT7 0.42623 1
100 BMA BMA BMA 0.42623 1
101 MAN MAN BMA BMA BMA BMA 0.42623 1
102 BMA BMA BMA BMA BMA 0.42623 1
103 MTT 0.42623 1
104 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.42623 1
105 BGC BGC BGC BGC BGC 0.42623 1
106 MLR 0.42623 1
107 BGC GLC GLC 0.42623 1
108 BGC GLC GLC GLC GLC GLC GLC 0.42623 1
109 MAN BMA BMA BMA BMA 0.42623 1
110 GLA GAL BGC 0.42623 1
111 CE6 0.42623 1
112 MAN BMA BMA 0.42623 1
113 DXI 0.42623 1
114 GLC BGC BGC BGC 0.42623 1
115 CE8 0.42623 1
116 BGC GLC GLC GLC GLC 0.42623 1
117 GLC BGC BGC 0.42623 1
118 B4G 0.42623 1
119 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
120 MAN BMA BMA BMA BMA BMA 0.42623 1
121 CEY 0.42623 1
122 GLA GAL GLC 0.42623 1
123 BGC BGC BGC BGC BGC BGC 0.42623 1
124 CT3 0.42623 1
125 BGC GLC GLC GLC 0.42623 1
126 GLC GLC BGC 0.42623 1
127 GLC BGC BGC BGC BGC BGC 0.42623 1
128 GLC BGC GLC 0.42623 1
129 BGC BGC GLC 0.42623 1
130 CEX 0.42623 1
131 BGC BGC BGC 0.42623 1
132 GAL GAL GAL 0.42623 1
133 BGC BGC BGC BGC 0.42623 1
134 GLC GLC GLC GLC GLC 0.42623 1
135 BGC BGC BGC GLC 0.42623 1
136 GLC GAL GAL 0.42623 1
137 CTT 0.42623 1
138 BMA BMA BMA BMA BMA BMA 0.42623 1
139 BMA Z4Y NAG 0.425 0.717391
140 BHG 0.423729 0.714286
141 GLC HEX 0.423729 0.714286
142 JZR 0.423729 0.714286
143 TRE 0.42 1
144 WZ5 0.418605 0.702128
145 KGM 0.416667 0.738095
146 B7G 0.416667 0.738095
147 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.41573 0.733333
148 2M4 0.413793 1
149 MMA 0.411765 0.857143
150 GYP 0.411765 0.857143
151 AMG 0.411765 0.857143
152 MBG 0.411765 0.857143
153 BGC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
154 GLC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
155 BGC BGC XYS BGC XYS BGC XYS 0.410256 0.942857
156 BNG 0.409836 0.738095
157 BOG 0.409836 0.738095
158 HSJ 0.409836 0.738095
159 XGP 0.407407 0.697674
160 G1P 0.407407 0.697674
161 GL1 0.407407 0.697674
162 M1P 0.407407 0.697674
163 6SA 0.40625 0.733333
164 NAG BMA MAN MAN MAN MAN MAN 0.405063 0.868421
165 SER MAN 0.403226 0.72093
166 GAL FUC 0.403226 0.941176
167 XYT 0.402985 0.767442
168 GAL BGC NAG GAL 0.402597 0.733333
169 BQZ 0.4 0.909091
170 GAL BGC BGC XYS 0.4 0.942857
Ligand no: 2; Ligand: GLC GLC GLC GLC; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC 1 1
2 RCD 0.510638 0.939394
3 BCD 0.510638 0.939394
4 GLC GLC GLC GLC GLC GLC 0.510638 0.939394
5 GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
6 GLC GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
7 ACX 0.510638 0.939394
8 4PW 0.5 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2C3W; Ligand: GLC GLC GLC GLC; Similar sites found with APoc: 40
This union binding pocket(no: 1) in the query (biounit: 2c3w.bio4) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3OCP CMP None
3 1JE1 GMP None
4 3VBK 0FX 1.96078
5 3VBK COA 1.96078
6 3MZS HC9 1.96078
7 4POS NAG SIA GAL 2.94118
8 4CLI 5P8 2.94118
9 2P3B 3TL 3.0303
10 6F05 GTS 3.92157
11 4EN4 GT0 3.92157
12 3SHR CMP 4.34783
13 5GMH RX8 4.90196
14 4NV7 COA 5.88235
15 3H78 BE2 5.88235
16 3FW9 SLX 5.88235
17 2AQX ATP 5.88235
18 5D4Y BXP 6.86275
19 1WBI BTN 7.84314
20 3O2K DST 7.84314
21 2RFZ CTR 7.84314
22 5AE2 FYC 8.82353
23 5AE2 FAD 8.82353
24 1REQ DCA 9.80392
25 6A1G 9OL 9.80392
26 3RYC GTP 9.80392
27 2FFC U5P 10.7843
28 5KGS 6SR 10.7843
29 3CB2 GDP 10.7843
30 1CQ1 PQQ 11.7647
31 2BPM 529 12.7451
32 6BE3 NAG 13.7255
33 5BV6 35G 14.7059
34 4IJP 1EH 15.6863
35 3VPD ANP 15.6863
36 4MNS 2AX 20.5882
37 6FE1 V14 21.5686
38 4OI4 ATP 22.549
39 4YEE 4CQ 23.3333
40 4OLT GCS GCS GCS GCS GCS GCS 25.4902
Pocket No.: 2; Query (leader) PDB : 2C3W; Ligand: GLC GLC GLC GLC; Similar sites found with APoc: 50
This union binding pocket(no: 2) in the query (biounit: 2c3w.bio4) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3NW7 LGV None
2 1F9A ATP None
3 2WME NAP 2.94118
4 2WOX NDP 2.94118
5 2OD9 A1R NCA 2.94118
6 1V25 ANP 4.90196
7 1BXK NAD 4.90196
8 2DJH 3PD UM3 4.90196
9 2BHZ MAL 4.90196
10 1MUU GDX 4.90196
11 5LLT DND 4.90196
12 2GKS ADP 5.88235
13 2HSA FMN 5.88235
14 3A4V NAD 5.88235
15 3A4V PYR 5.88235
16 3E1T FAD 5.88235
17 4BUZ NAD 5.88235
18 4BUZ OCZ 5.88235
19 4BUZ OAD 5.88235
20 1YC5 NCA 5.88235
21 4R0M FA5 5.88235
22 5THQ NDP 5.88235
23 1L5Y BEF 6.86275
24 4J56 FAD 6.86275
25 1AL8 FMN 6.86275
26 1N07 FMN 6.86275
27 5DQ8 FLF 6.86275
28 5EY9 5SV 6.86275
29 1VP5 NAP 6.86275
30 4X1T UDP 6.86275
31 1N07 ADP 6.86275
32 4YFY 1YJ 7.84314
33 2ZXI FAD 7.84314
34 6EL3 NAP 7.84314
35 1VBJ NAP 8.82353
36 6F6E PLM 8.82353
37 1FL2 FAD 8.82353
38 4IJR NDP 8.82353
39 2C6Q NDP 9.80392
40 3C1O NAP 9.80392
41 3MB5 SAM 11.7647
42 2WZM NA7 12.7451
43 5C9J STE 14.1414
44 2NXE SAM 14.7059
45 3LU1 NAD 14.7059
46 1PGP 6PG 16.6667
47 3F3E LEU 16.6667
48 3I27 SID 16.6667
49 3DRG ARG PRO PRO GLY PHE SER PRO PHE ALA 18.6275
50 3H7U NAP 18.6275
Pocket No.: 3; Query (leader) PDB : 2C3W; Ligand: GLC GLC GLC GLC; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2c3w.bio4) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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