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Receptor
PDB id Resolution Class Description Source Keywords
2C3H 2.24 Å EC: 3.-.-.- STRUCTURE OF CBM26 FROM BACILLUS HALODURANS AMYLASE IN COMPLEX WITH MALTOSE BACILLUS HALODURANS 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 D:300;
Invalid;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC GLC A:201;
B:201;
C:201;
D:201;
E:201;
F:201;
G:201;
H:201;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
342.297 n/a O(CC1...
SO4 A:1097;
A:1098;
A:1099;
A:1100;
C:1096;
C:1097;
F:1096;
G:1097;
G:1098;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
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
2C3H 2.24 Å EC: 3.-.-.- STRUCTURE OF CBM26 FROM BACILLUS HALODURANS AMYLASE IN COMPLEX WITH MALTOSE BACILLUS HALODURANS 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 2C3H - 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 2C3H - 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 2C3H - GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GLA 1 1
2 GAL GLC 1 1
3 GLA BGC 1 1
4 BGC GLC 1 1
5 GLA GLC 1 1
6 LAK 1 1
7 GAL GAL 1 1
8 GLC BGC 1 1
9 MLB 1 1
10 MAN BMA 1 1
11 MAN MAN 1 1
12 BMA GLA 1 1
13 BMA MAN 1 1
14 GLC GLC 1 1
15 GLA BMA 1 1
16 BMA MAN MAN 0.953488 1
17 GLC GLC GLC GLC GLC BGC 0.953488 1
18 MAN MAN MAN 0.953488 1
19 GLC GLC GLC 0.953488 1
20 GLC GLC GLC GLC BGC 0.953488 1
21 AHR AHR 0.75 0.857143
22 FUB AHR 0.75 0.857143
23 MAN MAN MAN MAN 0.732143 1
24 MAN MAN BMA MAN 0.732143 1
25 AHR AHR AHR AHR AHR AHR 0.702128 0.857143
26 FUB AHR AHR 0.702128 0.857143
27 MAN BMA MAN 0.672727 1
28 MAN MMA 0.66 0.942857
29 GLC GLC GLC BGC 0.633333 1
30 M5S 0.606557 1
31 MAN BMA MAN MAN MAN 0.606557 1
32 MAN MAN MAN BMA MAN 0.575758 1
33 BMA BMA GLA BMA BMA 0.546875 1
34 MAN MMA MAN 0.540984 0.942857
35 MAN MAN MAN MAN MAN MAN MAN 0.535211 1
36 RAF 0.515625 0.891892
37 GIV 0.511628 0.848485
38 GLA 0.511628 0.848485
39 WOO 0.511628 0.848485
40 MAN 0.511628 0.848485
41 GAL 0.511628 0.848485
42 GLC 0.511628 0.848485
43 BGC 0.511628 0.848485
44 GXL 0.511628 0.848485
45 BMA 0.511628 0.848485
46 ALL 0.511628 0.848485
47 STW 0.507692 0.891892
48 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
49 BMA MAN MAN MAN MAN 0.485294 1
50 NGB 0.485294 0.622642
51 4CQ 0.483871 0.970588
52 WZ2 0.477612 0.868421
53 LBT 0.472727 1
54 N9S 0.472727 1
55 CBI 0.472727 1
56 MAB 0.472727 1
57 LAT 0.472727 1
58 CBK 0.472727 1
59 B2G 0.472727 1
60 BGC BMA 0.472727 1
61 GLC GAL 0.472727 1
62 GLA GLA 0.472727 1
63 BMA GAL 0.472727 1
64 GLA GAL 0.472727 1
65 MAL 0.472727 1
66 GAL BGC 0.472727 1
67 BGC GAL 0.472727 1
68 NAG MAN MAN 0.472222 0.733333
69 RGG 0.471698 0.882353
70 SUC GLA 0.471429 0.891892
71 DMJ MAN 0.466667 0.695652
72 NOJ BGC 0.466667 0.695652
73 WZ3 0.463768 0.916667
74 DEG 0.462963 0.769231
75 IFM MAN 0.459016 0.711111
76 EMZ 0.458333 0.783784
77 M6P 0.45098 0.674419
78 G6P 0.45098 0.674419
79 BG6 0.45098 0.674419
80 M6D 0.45098 0.674419
81 A6P 0.45098 0.674419
82 BGP 0.45098 0.674419
83 AHR AHR AHR 0.45 0.805556
84 EBG 0.446429 0.837838
85 M3M 0.446429 1
86 LB2 0.446429 1
87 NGR 0.446429 1
88 EBQ 0.446429 0.789474
89 MAN GLC 0.446429 1
90 MT7 0.440678 1
91 MAN BMA BMA BMA BMA BMA 0.440678 1
92 DXI 0.440678 1
93 GLC GAL GAL 0.440678 1
94 BGC BGC BGC BGC 0.440678 1
95 GLC BGC BGC BGC BGC BGC 0.440678 1
96 GLC BGC GLC 0.440678 1
97 CEX 0.440678 1
98 GLC BGC BGC BGC BGC 0.440678 1
99 BGC GLC GLC GLC GLC GLC GLC 0.440678 1
100 MLR 0.440678 1
101 BGC BGC BGC BGC BGC 0.440678 1
102 CE5 0.440678 1
103 MAN BMA BMA BMA BMA 0.440678 1
104 BMA BMA BMA BMA BMA 0.440678 1
105 MTT 0.440678 1
106 MAN MAN BMA BMA BMA BMA 0.440678 1
107 GLC GLC GLC GLC GLC 0.440678 1
108 BGC GLC GLC 0.440678 1
109 BMA MAN BMA 0.440678 1
110 BGC GLC GLC GLC 0.440678 1
111 GLA GAL GLC 0.440678 1
112 CT3 0.440678 1
113 BGC BGC BGC 0.440678 1
114 BGC BGC GLC 0.440678 1
115 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 1
116 CTR 0.440678 1
117 CEY 0.440678 1
118 GLC BGC BGC 0.440678 1
119 GLA GAL BGC 0.440678 1
120 BMA BMA BMA BMA BMA BMA 0.440678 1
121 GLC GLC BGC 0.440678 1
122 CTT 0.440678 1
123 BGC BGC BGC BGC BGC BGC 0.440678 1
124 BGC BGC BGC GLC 0.440678 1
125 MAN BMA BMA 0.440678 1
126 B4G 0.440678 1
127 GAL GAL GAL 0.440678 1
128 BGC GLC GLC GLC GLC 0.440678 1
129 CE8 0.440678 1
130 BMA BMA BMA 0.440678 1
131 GLC BGC BGC BGC 0.440678 1
132 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
133 CE6 0.440678 1
134 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.439024 0.6875
135 1GN ACY GAL ACY 1GN BGC GAL BGC 0.439024 0.6875
136 JZR 0.438596 0.714286
137 BHG 0.438596 0.714286
138 GLC HEX 0.438596 0.714286
139 TRE 0.4375 1
140 BMA Z4Y NAG 0.435897 0.717391
141 B7G 0.431034 0.738095
142 KGM 0.431034 0.738095
143 2M4 0.428571 1
144 MBG 0.428571 0.857143
145 MMA 0.428571 0.857143
146 GYP 0.428571 0.857143
147 AMG 0.428571 0.857143
148 GAL GAL SO4 0.424242 0.66
149 BOG 0.423729 0.738095
150 BNG 0.423729 0.738095
151 HSJ 0.423729 0.738095
152 M1P 0.423077 0.697674
153 XGP 0.423077 0.697674
154 G1P 0.423077 0.697674
155 GL1 0.423077 0.697674
156 BGC BGC XYS BGC 0.418919 0.942857
157 GAL FUC 0.416667 0.941176
158 SER MAN 0.416667 0.72093
159 XYT 0.415385 0.767442
160 BQZ 0.415094 0.909091
161 6SA 0.414894 0.733333
162 GAL BGC NAG GAL 0.413333 0.733333
163 GAL BGC BGC XYS 0.410959 0.942857
164 BGC BGC BGC GLC BGC BGC 0.409836 1
165 GLC BGC BGC BGC BGC BGC BGC 0.409836 1
166 GLA EGA 0.409836 0.942857
167 DGD 0.409639 0.733333
168 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409091 0.733333
169 NAG NAG BMA MAN MAN 0.406977 0.6875
170 T6P 0.40678 0.767442
171 GLA GAL GAL 0.40625 1
172 IAB 0.404494 0.733333
173 MAN MAN BMA 0.403226 1
174 BMA BMA MAN 0.403226 1
175 GLC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
176 BGC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
177 BGC BGC XYS BGC XYS BGC XYS 0.402597 0.942857
178 BMA MAN MAN MAN 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2C3H; Ligand: GLC GLC; Similar sites found with APoc: 228
This union binding pocket(no: 1) in the query (biounit: 2c3h.bio8) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2QQ0 ADP None
2 2QQ0 TMP None
3 2HF9 GSP None
4 1NJF AGS None
5 2Q8M FBP None
6 5H4S RAM None
7 2B96 ANN None
8 5ZAI COA None
9 3TD3 GLY None
10 1T57 FMN None
11 5FVJ ACO None
12 4UUU SAM None
13 4D9M 0JO 2.04082
14 4B8V NDG NAG NAG NAG 2.04082
15 4EBZ NAG NAG NAG NAG 2.04082
16 3SIG AR6 2.04082
17 5WS9 AMP 2.04082
18 3IS2 FAD 2.04082
19 1JJV ATP 2.04082
20 3D72 FAD 2.04082
21 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 2.04082
22 4R57 ACO 2.04082
23 5EP2 AZU 3.06122
24 3RS8 APR 3.06122
25 4KWI NAP 3.06122
26 4KWI 1TJ 3.06122
27 4KQI RBZ 3.06122
28 4KQI NIO 3.06122
29 2VQD AP2 3.06122
30 4GID 0GH 3.06122
31 2XK9 XK9 3.06122
32 3WR7 COA 3.06122
33 3R96 ACO 3.06122
34 3R96 AMP 3.06122
35 3GPO APR 3.06122
36 5GUF CTP 3.84615
37 4QYS PLP SEP 4.08163
38 1I1D 16G 4.08163
39 3FYH ADP 4.08163
40 1UJ2 C5P 4.08163
41 1UJ2 ADP 4.08163
42 1GAR U89 4.08163
43 1NJR XYL 4.08163
44 6C0T EE4 4.08163
45 5UIU 8CG 4.08163
46 4RRG A3T 4.08163
47 1A2C 34H LEU PRJ OAR 4.08163
48 1XXR MAN 4.08163
49 1SVM ATP 4.08163
50 5GT9 NAP 4.08163
51 3QSB 743 4.08163
52 5L3R GCP 4.08163
53 6H3O FAD 4.08163
54 4NTD FAD 4.08163
55 2J7T 274 4.08163
56 4QYS PLR 4.08163
57 5TQZ GLC 4.08163
58 6G47 SIA SIA 4.08163
59 2VN9 GVD 4.08163
60 3VXE DPN PRO ARG 4.08163
61 2X2M X2M 4.08163
62 2PHN GDP 4.08163
63 4S3R 7SA 5.10204
64 2AE2 NAP 5.10204
65 1Z83 AP5 5.10204
66 3I9L N1C 5.10204
67 5GWT NAD 5.10204
68 1NE7 AGP 5.10204
69 6CI9 NAP 5.10204
70 1YTM ATP 5.10204
71 2J44 GLC GLC GLC 5.10204
72 1PVN MZP 5.10204
73 1LLU NAD 5.10204
74 3ZJ0 ACO 5.10204
75 5ETJ IM5 5.10204
76 1MFD GLA MMA ABE 5.10204
77 3MVH WFE 5.10204
78 4ZH7 FUC GAL NAG GAL FUC 5.10204
79 4D8N 0HM 5.10204
80 5ESO ISC 5.10204
81 5ESO TDP 5.10204
82 5VGR GDP 5.10204
83 1NHZ 486 5.10204
84 1MFA GLA MMA ABE 5.10204
85 1O9J NAD 5.10204
86 5UC1 486 5.10204
87 1NY5 ADP 5.10204
88 4I42 1HA 5.10204
89 1OXV ANP 5.10204
90 5MJA 7O3 5.10204
91 4JEJ 1GP 5.10204
92 6GWR FEW 5.10204
93 4TR1 GSH 5.43478
94 3UYK 0CX 6.12245
95 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 6.12245
96 2BKX F6R 6.12245
97 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 6.12245
98 1CR1 TTP 6.12245
99 5OWC AYZ 6.12245
100 5F7N NAG GAL FUC FUC A2G 6.12245
101 2BW7 APC 6.12245
102 2BW7 ECS 6.12245
103 4C3Y ANB 6.12245
104 5F7Y GLC GAL NAG GAL FUC A2G 6.12245
105 1XHL NDP 6.12245
106 3L8W XAN 6.12245
107 1SQA UI1 6.12245
108 1TOI HCI 6.12245
109 3HQP FDP 6.12245
110 2CFC NAD 6.12245
111 4HNN LYS 6.12245
112 2VNO GAL GAL FUC 6.12245
113 6G5J EM8 6.12245
114 3G5S GSH 7.14286
115 6B3P GLC GLC GLC GLC 7.14286
116 6B3P GLC GLC GLC 7.14286
117 1PVS 7HP 7.14286
118 3NC9 TR3 7.14286
119 6BYM HC3 7.14286
120 2CSN CKI 7.14286
121 4IOK XPO 7.14286
122 4IOK ADP 7.14286
123 4I9B NAD 7.14286
124 1S7N COA 7.14286
125 3BXF 13P 7.14286
126 4M52 M52 7.14286
127 4M7V NAP 7.14286
128 4M7V RAR 7.14286
129 1QL9 ZEN 7.14286
130 2JG1 ANP 7.14286
131 4XGU ADP 7.14286
132 4A0M NAD 7.14286
133 3HRD FAD 7.14286
134 1UKZ ADP 7.14286
135 4IVN BMX 7.14286
136 3WBZ ATP 7.14286
137 1M2Z DEX 7.14286
138 1W4R TTP 7.14286
139 3VC3 C6P 7.14286
140 1QF9 C5P 7.73196
141 1QF9 ADP 7.73196
142 1QF9 ALF 7.73196
143 1OS1 PYR 8.16327
144 1OS1 ATP 8.16327
145 4JSR 1NQ 8.16327
146 3D91 REM 8.16327
147 4YJI TYL 8.16327
148 1F5N GNP 8.16327
149 4FE2 AIR 8.16327
150 1RC0 KT5 8.16327
151 3EI9 PL6 8.16327
152 5L9O GOP 8.16327
153 2FHF GLC GLC 8.16327
154 3IID APR 8.16327
155 3VIU ADP 8.16327
156 1S8G DAO 8.16327
157 2O07 SPD 8.16327
158 2O07 MTA 8.16327
159 1T36 ADP 8.16327
160 4QRH 0O2 8.16327
161 3Q72 GNP 8.16327
162 1CLU DBG 9.18367
163 6AM8 PLT 9.18367
164 4I8P NAD 9.18367
165 5Z2L NDP 9.18367
166 4UBT 3G6 9.18367
167 6B5K TYD 9.18367
168 4AQ0 DMJ 9.18367
169 1YAA MAE 9.18367
170 2ZTS ADP 10.2041
171 1Z4O GL1 10.2041
172 2WEL K88 10.2041
173 4ZNL BEF ADP 10.2041
174 2XGT NSS 10.2041
175 4D9C PMP 10.2041
176 3ICT FAD 10.2041
177 5OGX FAD 10.2041
178 1PQ7 ARG 10.2041
179 1OGD RIP 10.2041
180 2VB6 ADP BEF 10.2041
181 1WUU ANP 10.2041
182 3PVW QRX 11.2245
183 1M4I PAP 11.2245
184 2QG6 NMN 11.2245
185 5J5R IMP 11.2245
186 5J5R 6G1 11.2245
187 2C6Q NDP 11.2245
188 1M4I COA 11.2245
189 1M4I KAN 11.2245
190 1VHT BA3 11.2245
191 1PS9 NAP 12.2449
192 4WOP CTP 12.2449
193 1R37 NAD 12.2449
194 3TKY SAH 12.2449
195 2CST MAE 12.2449
196 2PNZ 5GP 12.2449
197 5OJ7 AR6 12.2449
198 3QF7 ANP 12.2449
199 5J1S ATP 13.2653
200 4IEE AGS 13.2653
201 4GKV NAD 13.2653
202 2ZX2 RAM 13.2653
203 3C3Y SAH 13.2653
204 4PIV NDP 14.2857
205 4YDU ADP 14.2857
206 2YGM GLA NAG GAL FUC 14.2857
207 5K2M ADP 15.0943
208 2ZW5 COA 15.3061
209 1R4A GNP 15.3061
210 2OFW ADX 15.3061
211 4PLT NAI 15.3061
212 1W0J ADP BEF 16.3265
213 2CK3 ADP 16.3265
214 2V7Q ADP 16.3265
215 4I4Z 2NE 16.3265
216 2CK3 ANP 16.3265
217 1YRE COA 16.3265
218 4MOP 2H5 17.3469
219 5FBN 5WF 17.3469
220 4PJ3 ANP 17.3469
221 3REU ATP 17.3469
222 3ZIA ADP 18.3673
223 1XKQ NDP 19.3878
224 1FO3 KIF 20.4082
225 1X9D SMD 20.4082
226 1JI0 ATP 21.4286
227 1U1W 3HA 22.449
228 4PFW MAN MAN BMA BMA BMA BMA 25.5102
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