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Receptor
PDB id Resolution Class Description Source Keywords
2CDO 1.64 Å EC: 3.-.-.- STRUCTURE OF AGARASE CARBOHYDRATE BINDING MODULE IN COMPLEX WITH NEOAGAROHEXAOSE SACCHAROPHAGUS DEGRADANS CARBOHYDRATE-BINDING MODULE HYDROLASE
Ref.: FAMILY 6 CARBOHYDRATE BINDING MODULES IN BETA-AGARASES DISPLAY EXQUISITE SELECTIVITY FOR THE NON- REDUCING TERMINI OF AGAROSE CHAINS. J.BIOL.CHEM. V. 281 17099 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1139;
A:1140;
B:1139;
B:1140;
C:1139;
C:1140;
D:1139;
D:1140;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL A:1141;
A:1142;
A:1143;
B:1143;
B:1144;
C:1142;
C:1143;
C:1144;
D:1141;
D:1142;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
EDO B:1141;
B:1142;
B:1145;
C:1141;
C:1145;
C:1146;
D:1143;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GAL AAL GAL AAL GAL AAL A:1001;
B:1001;
C:1001;
D:1001;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
936.816 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CDO 1.64 Å EC: 3.-.-.- STRUCTURE OF AGARASE CARBOHYDRATE BINDING MODULE IN COMPLEX WITH NEOAGAROHEXAOSE SACCHAROPHAGUS DEGRADANS CARBOHYDRATE-BINDING MODULE HYDROLASE
Ref.: FAMILY 6 CARBOHYDRATE BINDING MODULES IN BETA-AGARASES DISPLAY EXQUISITE SELECTIVITY FOR THE NON- REDUCING TERMINI OF AGAROSE CHAINS. J.BIOL.CHEM. V. 281 17099 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 2CDO - GAL AAL GAL AAL GAL AAL 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 2CDO - GAL AAL GAL AAL GAL AAL 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 2CDO - GAL AAL GAL AAL GAL AAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL AAL GAL AAL GAL AAL; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 AAL GAL AAL GLA 1 1
2 AAL GAL AAL GAL 1 1
3 GAL AAL GAL AAL GAL AAL 1 1
4 AAL GAL 0.731343 1
5 47N 0.731343 1
6 AAL GAL AAL GAL AAL GAL AAL 0.728395 0.9
7 G4S 9RN G4S DGS G4S 9RN 0.544554 0.672727
8 GLC BGC BGC BGC BGC BGC BGC 0.493333 0.891892
9 BGC BGC BGC GLC BGC BGC 0.493333 0.891892
10 G4S 9RN G4S 9RN G4S 0.459184 0.636364
11 P3M 0.435294 0.702128
12 9RN G4S 9RN G4S 0.43 0.648148
13 M3M 0.426667 0.891892
14 MAN GLC 0.426667 0.891892
15 NGR 0.426667 0.891892
16 LB2 0.426667 0.891892
17 DGS G4S DGS G4S 0.413462 0.654545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CDO; Ligand: GAL AAL GAL AAL GAL AAL; Similar sites found with APoc: 177
This union binding pocket(no: 1) in the query (biounit: 2cdo.bio4) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1N07 FMN None
2 1S4M LUM None
3 3T3C 017 None
4 1J3R 6PG None
5 5DRB 5FJ 1.25
6 3LXK MI1 1.25
7 1X54 4AD 1.875
8 5T8O 76Z 1.875
9 4LRJ ANP 1.875
10 2X2M X2M 1.875
11 1ERB ETR 2.18579
12 3RWP ABQ 2.5
13 5C9J STE 2.5
14 2CM4 RCL 2.5
15 3ALN ANP 2.5
16 5DMZ ADP 2.5
17 5I35 ANP 2.5
18 4K33 ACP 2.5
19 5XVG 8FX 3.125
20 5FBN 5WF 3.125
21 1VJY 460 3.125
22 2QV6 GTP 3.125
23 5A6N U7E 3.125
24 2IRY DGT 3.125
25 1Y0G 8PP 3.125
26 4D5B ACX 3.125
27 4QTB 38Z 3.125
28 1U0A BGC BGC BGC BGC 3.125
29 4WUP 3UF 3.125
30 5NKB 8ZT 3.125
31 3EYA FAD 3.125
32 3MTX PGT 3.31126
33 5ODY 9SK 3.62319
34 5JGA 6KC 3.75
35 2OFV 242 3.75
36 5JFS 6K0 3.75
37 3VHE 42Q 3.75
38 4F4P 0SB 3.75
39 5J75 6GQ 3.75
40 1EWF PC1 3.75
41 4UAL 3FV 3.75
42 6CQF F97 3.75
43 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 3.75
44 5C3R HMU 3.75
45 5C3R AKG 3.75
46 4P25 FUC GAL NAG FUC 3.75
47 4AG8 AXI 3.75
48 4MNS 2AX 3.77358
49 4QA8 PJZ 3.93013
50 3X00 ZOF EDN ZOF 4.08163
51 3X00 ZOF ZOF EDN 4.08163
52 3E8N ATP 4.375
53 3E8N VRA 4.375
54 5DEY 59T 4.375
55 4NW6 2NS 4.375
56 2XVD AS6 4.375
57 6DO3 PRO PRO PRO MET ALA GLY GLY 4.375
58 5CEO 50D 4.375
59 5JWI ARG GLU 4.375
60 1OX5 1PR 4.375
61 2II3 CAO 4.375
62 5FPX GLY SER SER HIS HIS HIS HIS HIS 4.42478
63 2FTB OLA 4.8
64 3VKC FPQ 4.8951
65 2WEI VGG 5
66 2DKH 3HB 5
67 5VC5 96M 5
68 4IZY 1J2 5
69 1QY1 PRZ 5
70 2GJ5 VD3 5
71 3FW3 ETS 5
72 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 5.10204
73 4X6F 3XU 5.625
74 4XV1 904 5.625
75 5W4W 9WG 5.625
76 4KBA 1QM 5.625
77 2DDQ HRB 5.625
78 5JXF ARG ASP 5.625
79 1K3A ACP 5.625
80 4BG4 ADP 5.625
81 1IIU RTL 5.625
82 1G51 AMO 5.625
83 5AYT L6Y 5.66038
84 4YLZ LAT NAG GAL 5.88235
85 1ULE GLA GAL NAG 6
86 5EYK 5U5 6.25
87 4ONA UW1 6.25
88 3G5D 1N1 6.25
89 1VPM COA 6.25
90 4WO4 JLS 6.875
91 4ASE AV9 6.875
92 1GP6 DH2 6.875
93 1GP6 SIN 6.875
94 1GP6 QUE 6.875
95 3HUJ AGH 6.875
96 2H8H H8H 6.875
97 4U03 TLL 6.875
98 4U03 GTP 6.875
99 4IQY AR6 6.875
100 5TV6 PML 6.875
101 3FPF MTA 6.875
102 3FPF TNA 6.875
103 4KS7 X4Z 6.875
104 6A1G 9OL 6.875
105 3OCP CMP 7.19424
106 3SLS ANP 7.5
107 6GU6 1QK 7.5
108 3O2K DST 7.5
109 4LOO SB4 7.5
110 5C03 AGS 7.5
111 2YNE NHW 7.5
112 2YNE YNE 7.5
113 3RUG DB6 7.5
114 5ISY NAD 7.5
115 5FKP 6UL 7.5
116 5UIU 8CG 7.5
117 4WOV 3SM 7.5
118 5GWT SIN 7.5
119 3SXS PP2 8.125
120 3PFG TLO 8.125
121 3PFG SAM 8.125
122 3ORK AGS 8.125
123 5B4B LP5 8.125
124 3OYW TDG 8.20895
125 5NBW 8SK 8.55856
126 2YAK OSV 8.75
127 1MJJ HAL 8.75
128 1MH5 HAL 8.75
129 3MHA Z69 8.75
130 4DXD 9PC 8.75
131 4YSX FAD 8.75
132 4K2G 1OQ 8.75
133 5SVV FMN 8.75912
134 2ZHL NAG GAL GAL NAG 8.78378
135 2E27 AB0 9.2437
136 4O9S 2RY 9.30233
137 1MEX RAC 9.375
138 4FG8 ATP 9.375
139 1N5S ADL 9.82143
140 4C2V YJA 10
141 4RFM 3P6 10
142 5OMY 9YE 10
143 3EM0 CHD 10.1449
144 4RYV ZEA 10.3226
145 5JAX 6J7 10.3704
146 3VRY B43 10.625
147 5HA0 LTD 10.8974
148 4P5Z Q7M 11.25
149 2FFC U5P 11.25
150 4RD0 GDP 11.25
151 5UPK ANP 11.875
152 4AT0 FAD 11.875
153 5L9G MO0 11.875
154 5H9P TD2 12.0253
155 4Y24 TD2 12.3377
156 3WG3 A2G GAL NAG FUC 12.3596
157 2VFT SOR 12.5
158 3TAY MN0 12.8834
159 2QM9 TDZ 12.9032
160 2WT2 GAL NAG GAL NAG GAL NAG 13.125
161 5N2F 8HW 13.125
162 4NV7 COA 13.125
163 4LIT AKG 13.125
164 6EHH 2GE 13.75
165 4K49 HFQ 13.9706
166 5N87 N66 14.375
167 2WSA 646 14.375
168 2WSA MYA 14.375
169 3STK PLM 14.3939
170 4M69 ANP 15
171 3T4L ZEA 15.625
172 5GP0 GPP 16.1074
173 3JRS A8S 20
174 5L8L ADP 22.5
175 3C2O NTM 23.75
176 2XGT NSS 24.375
177 1QD1 FON 26.875
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