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(C1O...
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 218 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 176 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 143 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: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 AAL GAL AAL GAL 1 1
2 AAL GAL AAL GLA 1 1
3 GAL AAL GAL AAL GAL AAL 1 1
4 AAL GAL AAL GAL AAL GAL AAL GAL 0.858974 0.925
5 AAL GAL 0.731343 1
6 47N 0.731343 1
7 AAL GAL AAL GAL AAL GAL AAL 0.728395 0.9
8 BGC BGC BGC GLC BGC BGC 0.493333 0.891892
9 BGC BGC BGC BGC BGC 0.493333 0.891892
10 BGC BGC BGC 0.493333 0.891892
11 GLC BGC BGC BGC BGC BGC BGC 0.493333 0.891892
12 GLC BGC BGC BGC 0.493333 0.891892
13 BGC BGC BGC ASO BGC BGC ASO 0.493333 0.891892
14 DGS G4S DGS G4S 0.454545 0.705882
15 P3M 0.435294 0.702128
16 MAN GLC 0.426667 0.891892
17 M3M 0.426667 0.891892
18 LB2 0.426667 0.891892
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: 125
This union binding pocket(no: 1) in the query (biounit: 2cdo.bio4) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1N07 FMN 0.0009162 0.47917 None
2 1S4M LUM 0.0009839 0.47446 None
3 5A89 ADP 0.0364 0.4045 None
4 5A89 FMN 0.0364 0.4045 None
5 3T3C 017 0.02013 0.40427 None
6 5DRB 5FJ 0.00008469 0.57506 1.25
7 3LXK MI1 0.002648 0.46105 1.25
8 2X2M X2M 0.0009977 0.48306 1.875
9 4LRJ ANP 0.01635 0.41219 1.875
10 3Q8G PEE 0.0312 0.40423 1.875
11 1ERB ETR 0.01939 0.42605 2.18579
12 5C9J STE 0.0005052 0.4736 2.5
13 2CM4 RCL 0.007187 0.43811 2.5
14 3ALN ANP 0.0143 0.42684 2.5
15 5DMZ ADP 0.01764 0.40741 2.5
16 5I35 ANP 0.01807 0.40677 2.5
17 4K33 ACP 0.01891 0.40523 2.5
18 2X4Z X4Z 0.0004228 0.51772 3.125
19 5FBN 5WF 0.001812 0.48379 3.125
20 1VJY 460 0.001286 0.47203 3.125
21 2QV6 GTP 0.003886 0.42897 3.125
22 5A6N U7E 0.01013 0.42832 3.125
23 2IRY DGT 0.009797 0.42792 3.125
24 1Y0G 8PP 0.02112 0.42316 3.125
25 4D5B ACX 0.008573 0.42195 3.125
26 4QTB 38Z 0.02169 0.42059 3.125
27 1U0A BGC BGC BGC BGC 0.004839 0.41642 3.125
28 4WUP 3UF 0.03203 0.41109 3.125
29 3EYA FAD 0.0302 0.4006 3.125
30 3MTX PGT 0.01563 0.43944 3.31126
31 5JFS 6K0 0.002901 0.48342 3.75
32 5JGA 6KC 0.001966 0.48153 3.75
33 2OFV 242 0.004453 0.47658 3.75
34 3BZF VAL MET ALA PRO ARG ALA LEU LEU LEU 0.002376 0.46611 3.75
35 3VHE 42Q 0.004479 0.4661 3.75
36 4F4P 0SB 0.009542 0.449 3.75
37 5J75 6GQ 0.003726 0.42782 3.75
38 4P25 FUC GAL NAG FUC 0.008822 0.40655 3.75
39 4MNS 2AX 0.01507 0.41294 3.77358
40 4QA8 PJZ 0.01192 0.42861 3.93013
41 3X00 ZOF EDN ZOF 0.02931 0.44379 4.08163
42 3X00 ZOF ZOF EDN 0.02988 0.44379 4.08163
43 3E8N VRA 0.001771 0.48921 4.375
44 3E8N ATP 0.001771 0.48921 4.375
45 5CEO 50D 0.01277 0.42152 4.375
46 5JWI ARG GLU 0.01538 0.42099 4.375
47 1OX5 1PR 0.01915 0.41363 4.375
48 2FTB OLA 0.0342 0.42259 4.8
49 3VKC FPQ 0.009761 0.4003 4.8951
50 2WEI VGG 0.0001497 0.52071 5
51 3KRR DQX 0.01347 0.45913 5
52 4ANW O92 0.007093 0.44356 5
53 5VC5 96M 0.007849 0.43615 5
54 5BVE 4VG 0.0416 0.41553 5
55 1QY1 PRZ 0.01729 0.41251 5
56 3FW3 ETS 0.02368 0.4001 5
57 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.006522 0.44749 5.10204
58 4X6F 3XU 0.001549 0.47508 5.625
59 4XV1 904 0.0016 0.47272 5.625
60 5W4W 9WG 0.002698 0.45848 5.625
61 2DDQ HRB 0.004187 0.43853 5.625
62 5JXF ARG ASP 0.0101 0.43275 5.625
63 1K3A ACP 0.008465 0.43217 5.625
64 1IIU RTL 0.01587 0.42021 5.625
65 4YLZ LAT NAG GAL 0.0003597 0.47032 5.88235
66 5EYK 5U5 0.00004819 0.57861 6.25
67 3SXF BK5 0.000322 0.52701 6.25
68 3G5D 1N1 0.01468 0.45643 6.25
69 2XMY CDK 0.0006653 0.49662 6.875
70 5BYZ 4WE 0.001446 0.48236 6.875
71 4ASE AV9 0.005723 0.45882 6.875
72 1GP6 QUE 0.007671 0.43312 6.875
73 1GP6 DH2 0.007246 0.43312 6.875
74 1GP6 SIN 0.007246 0.43312 6.875
75 3HUJ AGH 0.01541 0.43216 6.875
76 2H8H H8H 0.008174 0.43106 6.875
77 4IQY AR6 0.009158 0.42156 6.875
78 5TV6 PML 0.01251 0.41976 6.875
79 4BHN BH9 0.01862 0.40933 6.875
80 3SLS ANP 0.003427 0.46842 7.5
81 5C03 AGS 0.009135 0.43468 7.5
82 4WOV 3SM 0.01435 0.41619 7.5
83 4CKU P2F 0.01815 0.41487 7.5
84 5ISY NAD 0.01203 0.40892 7.5
85 5FKP 6UL 0.01391 0.40724 7.5
86 5UIU 8CG 0.03392 0.40467 7.5
87 3SXS PP2 0.00171 0.47222 8.125
88 3ORK AGS 0.01557 0.4191 8.125
89 5B4B LP5 0.02291 0.41168 8.125
90 3OYW TDG 0.00006695 0.51627 8.20895
91 2YAK OSV 0.002204 0.47273 8.75
92 1MJJ HAL 0.004865 0.4502 8.75
93 3MHA Z69 0.02579 0.40534 8.75
94 1MH5 HAL 0.02094 0.40474 8.75
95 4YSX FAD 0.04886 0.40226 8.75
96 4K2G 1OQ 0.04334 0.40191 8.75
97 5SVV FMN 0.03365 0.4032 8.75912
98 2E27 AB0 0.007824 0.42187 9.2437
99 1MEX RAC 0.008468 0.41903 9.375
100 3OFM 4B0 0.01417 0.40594 9.375
101 4FG8 ATP 0.01963 0.40014 9.375
102 1N5S ADL 0.0024 0.46275 9.82143
103 4C2V YJA 0.000633 0.4885 10
104 5LXC 7AA 0.01524 0.41389 10
105 3EM0 CHD 0.01709 0.44444 10.1449
106 5JAX 6J7 0.01698 0.40493 10.3704
107 5HA0 LTD 0.001394 0.46825 10.8974
108 4P5Z Q7M 0.0005964 0.5282 11.25
109 5L9G MO0 0.01028 0.4051 11.875
110 5H9P TD2 0.0001817 0.49789 12.0253
111 4Y24 TD2 0.00005505 0.5278 12.3377
112 3WG3 A2G GAL NAG FUC 0.001386 0.43952 12.3596
113 2VFT SOR 0.005555 0.43313 12.5
114 2WT2 GAL NAG GAL NAG GAL NAG 0.002296 0.47388 13.125
115 4K49 HFQ 0.04113 0.40626 13.9706
116 5N87 N66 0.01265 0.4403 14.375
117 2WSA MYA 0.0115 0.43712 14.375
118 2WSA 646 0.0115 0.43712 14.375
119 3STK PLM 0.04076 0.4046 14.3939
120 1PR9 NAP 0.04863 0.42308 15
121 4M69 ANP 0.01548 0.41999 15
122 3JRS A8S 0.01515 0.40915 20
123 5L8L ADP 0.01037 0.41583 22.5
124 1QD1 FON 0.02336 0.40268 26.875
125 5U98 1KX 0.009736 0.46088 27.5
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