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Receptor
PDB id Resolution Class Description Source Keywords
2J73 1.4 Å EC: 3.2.1.41 ALPHA-GLUCAN RCOGNITION BY A FAMILY 41 CARBOHYDRATE-BINDING MODULE FROM THERMOTOGA MARITIMA PULLULANASE PULA THERMOTOGA MARITIMA THERMOTOGA MARITIMA ALPHA-GLUCAN BINDING GLUCOSYL- MALTOTRIOSE CARBOHYDRATE-BINDING MODULE HYDROLASE GLYCOSIDASE BETA-SANDWICH FOLD
Ref.: THE STRUCTURAL BASIS OF ALPHA-GLUCAN RECOGNITION BY A FAMILY 41 CARBOHYDRATE-BINDING MODULE FROM THERMOTOGA MARITIMA J.MOL.BIOL. V. 365 555 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC GLC GLC B:1108;
Valid;
none;
submit data
504.438 n/a O(CC1...
GLC GLC GLC GLC A:1108;
Valid;
none;
submit data
648.564 n/a OCC1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J73 1.4 Å EC: 3.2.1.41 ALPHA-GLUCAN RCOGNITION BY A FAMILY 41 CARBOHYDRATE-BINDING MODULE FROM THERMOTOGA MARITIMA PULLULANASE PULA THERMOTOGA MARITIMA THERMOTOGA MARITIMA ALPHA-GLUCAN BINDING GLUCOSYL- MALTOTRIOSE CARBOHYDRATE-BINDING MODULE HYDROLASE GLYCOSIDASE BETA-SANDWICH FOLD
Ref.: THE STRUCTURAL BASIS OF ALPHA-GLUCAN RECOGNITION BY A FAMILY 41 CARBOHYDRATE-BINDING MODULE FROM THERMOTOGA MARITIMA J.MOL.BIOL. V. 365 555 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2J73 - GLC GLC GLC GLC n/a n/a
2 2J72 - GLC GLC GLC GLC n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2J73 - GLC GLC GLC GLC n/a n/a
2 2J72 - GLC GLC GLC GLC n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2J73 - GLC GLC GLC GLC n/a n/a
2 2J72 - 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 : 2J73; Ligand: GLC GLC GLC; Similar sites found with APoc: 84
This union binding pocket(no: 1) in the query (biounit: 2j73.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 6B3P GLC GLC GLC None
2 6CHP F0Y None
3 4RZ3 ADP None
4 2V1O COA None
5 6G96 ACO None
6 3AB4 THR 2.91262
7 3OJF NDP 2.91262
8 4XWM CBI 2.91262
9 5AE2 FYC 3.8835
10 5AE2 FAD 3.8835
11 1XS1 DUT 3.8835
12 2DT9 THR 4.85437
13 5G3U ITW 4.85437
14 1EKO NAP 4.85437
15 5FMD NYT 4.85437
16 5YAK YOF 4.85437
17 4E5N NAD 4.85437
18 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 5.82524
19 4C5N PXL 5.82524
20 3WDM ADN 5.82524
21 3B8Y ADA ADA ADA ADA 5.82524
22 2PYW ADP 5.82524
23 2J62 GSZ 5.82524
24 4NTM 2K8 5.82524
25 2IXB A2G 6.79612
26 2IXB NAD 6.79612
27 5LRT ADP 6.79612
28 5AB0 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 6.79612
29 1M0W ANP 6.79612
30 3EWA ANP 6.79612
31 1MXH NAP 6.79612
32 1MXH DHF 6.79612
33 5TH5 7C5 6.79612
34 2CHN NGT 6.79612
35 3FYH ADP 6.79612
36 5ABF XRJ 6.79612
37 1Z0K GTP 6.79612
38 5ABH YWN 6.79612
39 3KN5 ANP 6.79612
40 3IAA TYD 6.79612
41 1V97 MTE 7.76699
42 6BS6 GLC GLC GLC 7.76699
43 4OUC 5ID 7.76699
44 4OYA 1VE 7.76699
45 6G34 5ID 7.76699
46 6C4M NAP 7.76699
47 1QY1 PRZ 7.76699
48 3ZXR IQ1 7.76699
49 3ZXR P3S 7.76699
50 4SGA ACE PRO ALA PRO PHE 7.76699
51 1PI5 SM2 7.76699
52 1HG4 LPP 7.76699
53 3VOT ADP 8.73786
54 2Y8E GNP 8.73786
55 3MMG GLU THR VAL ARG PHE GLN SER ASP 9.70874
56 2GZ3 NAP 9.70874
57 2O66 FLC 9.70874
58 1V3S ATP 10.6796
59 2UUU PL3 10.6796
60 6ARJ SAH 10.6796
61 6FL8 ADP 10.6796
62 6FL8 TIY 10.6796
63 1LNX URI 11.1111
64 5K2M ADP 12.6214
65 3CF6 SP1 12.6214
66 4TXE 38F 12.6214
67 3MQG U5P 13.5922
68 1AUX AGS 13.5922
69 2J9D ADP 15.534
70 3H0L ADP 15.9574
71 5T2Z 017 16.1616
72 1UWK NAD 16.5049
73 1UWK URO 16.5049
74 3VPD ANP 18.4466
75 5H68 AGS 18.4466
76 5EQ8 HSO 18.4466
77 3FC4 EDO 19.4175
78 5O1I 9GH 20.3883
79 3KAL ADP 26.2136
80 4M73 SAH 26.2136
81 5LEF GTP 27.1845
82 1Z08 GNP 35.9223
83 4WNK 453 35.9223
84 2J44 GLC GLC GLC 42.7184
Pocket No.: 2; Query (leader) PDB : 2J73; Ligand: GLC GLC GLC GLC; Similar sites found with APoc: 86
This union binding pocket(no: 2) in the query (biounit: 2j73.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 6B3P GLC GLC GLC None
2 3GPO APR None
3 5J6D 6H5 None
4 6G96 ACO None
5 1LDN NAD None
6 5K4W THR 2.91262
7 5K4W NAI 2.91262
8 5UAV TFB 2.91262
9 3AB4 THR 2.91262
10 4UTG ANP 3.8835
11 3RWP ABQ 3.8835
12 5AE2 FYC 3.8835
13 3JZ4 NAP 3.8835
14 5X0J SEP 3.8835
15 2DT9 THR 4.85437
16 5FMD NYT 4.85437
17 2EXX NAP 4.85437
18 1VDN ACE ALA ALA PRO ALA MCM 4.85437
19 1GXU 2HP 5.49451
20 4C5N ACP 5.82524
21 4C5N PXL 5.82524
22 3WDM ADN 5.82524
23 2ABS ACP 5.82524
24 3CX8 GSP 5.82524
25 2OM2 GDP 5.82524
26 3TPV ADE 5.82524
27 2J62 GSZ 5.82524
28 5AB0 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN 6.79612
29 1BXG NAD 6.79612
30 2NX1 RP5 6.79612
31 2NX1 PEP 6.79612
32 3AMN CBK 6.79612
33 3AMN CBI 6.79612
34 5TH5 7C5 6.79612
35 1C1X NAD 6.79612
36 3FYH ADP 6.79612
37 3EWA ANP 6.79612
38 3KN5 ANP 6.79612
39 2IXB NAD 6.79612
40 6EQ8 BQZ 6.79612
41 2A19 ANP 6.79612
42 5ABH YWN 6.79612
43 1MFD GLA MMA ABE 6.79612
44 1MXH DHF 6.79612
45 1MXH NAP 6.79612
46 2CHN NGT 6.79612
47 5ABF XRJ 6.79612
48 6BS6 GLC GLC GLC 7.76699
49 1V97 MTE 7.76699
50 3ZXR P3S 7.76699
51 3ZXR IQ1 7.76699
52 5IRN ADP 7.76699
53 4OUC 5ID 7.76699
54 5W11 CTR 7.76699
55 6G34 5ID 7.76699
56 5KDO GDP 8.10811
57 1GOT GDP 8.21918
58 2VDF OCT 8.73786
59 3LF0 ATP 8.73786
60 5ECP MET 8.73786
61 3MMG GLU THR VAL ARG PHE GLN SER ASP 9.70874
62 4BAS GNP 9.70874
63 5GLN XYP XYP XYP 9.70874
64 5GLN XYS 9.70874
65 4URF NAD 9.70874
66 2O66 FLC 9.70874
67 1GZ6 NAI 10.6796
68 6FL8 TIY 10.6796
69 6FL8 ADP 10.6796
70 1V3S ATP 10.6796
71 3BER AMP 11.6505
72 4TXE 38F 12.6214
73 3MQG ACO 13.5922
74 1AUX AGS 13.5922
75 3MQG U5P 13.5922
76 5FUS DAO 14.5631
77 2GV8 FAD 14.5631
78 2GVC FAD 14.5631
79 3L2B B4P 14.5631
80 2J9D ADP 15.534
81 3H0L ADP 15.9574
82 1UWK NAD 16.5049
83 1UWK URO 16.5049
84 4ZSD 7I6 18.4466
85 1NVV GNP 25.2427
86 2J44 GLC GLC GLC 42.7184
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