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Receptor
PDB id Resolution Class Description Source Keywords
3PAK 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RAT SURFACTANT PROTEIN A NECK AND CARBO RECOGNITION DOMAIN (NCRD) COMPLEXED WITH MANNOSE RATTUS NORVEGICUS COLLECTIN SUGAR BINDING PROTEIN MANNOSE
Ref.: CRYSTALLOGRAPHIC COMPLEXES OF SURFACTANT PROTEIN A CARBOHYDRATES REVEAL LIGAND-INDUCED CONFORMATIONAL J.BIOL.CHEM. V. 286 757 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:300;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MAN A:500;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
NA A:301;
Part of Protein;
none;
submit data
22.99 Na [Na+]
SO4 A:302;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PAK 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF RAT SURFACTANT PROTEIN A NECK AND CARBO RECOGNITION DOMAIN (NCRD) COMPLEXED WITH MANNOSE RATTUS NORVEGICUS COLLECTIN SUGAR BINDING PROTEIN MANNOSE
Ref.: CRYSTALLOGRAPHIC COMPLEXES OF SURFACTANT PROTEIN A CARBOHYDRATES REVEAL LIGAND-INDUCED CONFORMATIONAL J.BIOL.CHEM. V. 286 757 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3PAK - MAN C6 H12 O6 C([C@@H]1[....
2 5FFR - PC C5 H15 N O4 P C[N+](C)(C....
3 3PAQ - MMA C7 H14 O6 CO[C@@H]1[....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3PAK - MAN C6 H12 O6 C([C@@H]1[....
2 5FFR - PC C5 H15 N O4 P C[N+](C)(C....
3 3PAQ - MMA C7 H14 O6 CO[C@@H]1[....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3PAK - MAN C6 H12 O6 C([C@@H]1[....
2 5FFR - PC C5 H15 N O4 P C[N+](C)(C....
3 3PAQ - MMA C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PAK; Ligand: MAN; Similar sites found with APoc: 202
This union binding pocket(no: 1) in the query (biounit: 3pak.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4KS7 X4Z None
2 1U5R ATP 2.02703
3 6BXI ANP 2.02703
4 1Y57 MPZ 2.02703
5 1U59 STU 2.7027
6 4NW6 2NS 2.7027
7 6CMJ F6J 2.7027
8 3CY2 MB9 2.7027
9 5EQY 5RA 2.7027
10 3PLS ANP 2.7027
11 4GAH 0ET 2.7027
12 1F9A ATP 2.7027
13 3DAK ANP 2.7027
14 4U44 3D9 3.31325
15 3V8S 0HD 3.37838
16 4WNP 3RJ 3.37838
17 3LXN MI1 3.37838
18 3TXO 07U 3.37838
19 5EOB 5QQ 3.37838
20 4IZY 1J2 3.37838
21 4UX9 ANP 3.37838
22 4A4X JUP 3.37838
23 2WU6 DKI 3.37838
24 4OH4 ANP 3.37838
25 5LVP ATP 3.37838
26 5UKL SIX 3.37838
27 5OMY 9YE 3.37838
28 3UDZ ADP 3.44828
29 6FL8 TIY 3.61702
30 6FL8 ADP 3.61702
31 5UR1 YY9 4.05405
32 4GJ3 0XP 4.05405
33 1V0O INR 4.05405
34 6FYV 3NG 4.05405
35 2WSI FAD 4.05405
36 5MY8 RXZ 4.05405
37 5X8I SQZ 4.05405
38 4X7Q 3YR 4.05405
39 5LI1 ANP 4.05405
40 3G6K FAD 4.05405
41 3G6K POP 4.05405
42 5LI9 ACP 4.05405
43 4DC2 ADE 4.05405
44 5W4W 9WG 4.05405
45 3E5A VX6 4.05405
46 2PVF ACP 4.05405
47 4C2W ANP 4.05405
48 5HES 032 4.05405
49 3RI1 3RH 4.05405
50 2VN9 GVD 4.05405
51 3HZT J60 4.05405
52 6GZD LCI 4.05405
53 5CEO 50D 4.05405
54 5JKG 6LF 4.05405
55 4BHN BH9 4.05405
56 1F28 UMP 4.05405
57 4F9C 0SX 4.16667
58 2CYE COA 4.51128
59 3C0G 3AM 4.72973
60 2V7O DRN 4.72973
61 1BYG STU 4.72973
62 4PU5 ANP 4.72973
63 3C1X CKK 4.72973
64 2PVN P63 4.72973
65 3THR C2F 4.72973
66 4AUA 4AU 4.72973
67 6A1G 9OL 4.72973
68 4NST ADP 4.72973
69 3TTI KBI 4.72973
70 5WNL STU 4.72973
71 1TMM HHR 4.72973
72 1TMM APC 4.72973
73 1J3I UMP 4.72973
74 1B09 PC 4.72973
75 1UPR 4IP 4.87805
76 1KNM LAT 5.38462
77 5WO4 B7V 5.40541
78 2B9F ADP 5.40541
79 2B9H ADP 5.40541
80 4H3Q ANP 5.40541
81 2Z7R STU 5.40541
82 2YAB AMP 5.40541
83 4I94 ANP 5.40541
84 6C7Y ADP 5.40541
85 2B9I ADP 5.40541
86 1Q8Y ADE 5.40541
87 4QTB 38Z 5.40541
88 4EUU BX7 5.40541
89 5ZCT ANP 5.40541
90 3FC2 IBI 5.40541
91 4Y0X ADP 5.40541
92 3S2U UD1 5.40541
93 1Q8Y ADP 5.40541
94 2PZI AXX 5.40541
95 2A19 ANP 5.40541
96 1IR3 ANP 6.08108
97 1ZY5 ANP 6.08108
98 3EKK GS2 6.08108
99 3NW7 LGV 6.08108
100 5UIU 8CG 6.08108
101 2WQN ADP 6.08108
102 3UIM ANP 6.08108
103 3BU5 ATP 6.08108
104 1PHK ATP 6.08108
105 4UAL 3FV 6.08108
106 1K3A ACP 6.08108
107 4OUC 5ID 6.08108
108 6F3G CJN 6.08108
109 1DDU DDU 6.08108
110 4EUO ABU 6.08108
111 3PP0 03Q 6.75676
112 3ALN ANP 6.75676
113 2WEL K88 6.75676
114 3ORK AGS 6.75676
115 5GZ9 ANP 6.75676
116 6GU6 1QK 7.14286
117 4CLI 5P8 7.43243
118 6GUE FB8 7.43243
119 4BCN T9N 7.43243
120 5M06 ADP 7.43243
121 4BCM T7Z 7.43243
122 3NRR UMP 7.43243
123 6FYL 3NG 8.10811
124 3LXK MI1 8.10811
125 2RIO ADP 8.10811
126 4JAW NGT GAL 8.10811
127 2NX1 PEP 8.10811
128 2NX1 RP5 8.10811
129 4ASE AV9 8.78378
130 4YZN 4K5 8.78378
131 5JFS 6K0 8.78378
132 4AG8 AXI 8.78378
133 4YMJ 4EJ 8.78378
134 2F2U M77 8.78378
135 4CYI ATP 9.45946
136 3KRL KRL 9.45946
137 4FL3 ANP 9.45946
138 3SRV S19 9.45946
139 2HY0 306 9.45946
140 3M2W L8I 9.45946
141 5G1X ADP 9.52381
142 4OTH DRN 10.8108
143 4ZDC CO8 10.8108
144 5AX9 4KT 10.8108
145 5ODT ADP 10.8696
146 5HQ0 LZ9 11.4865
147 5Y80 IRE 11.4865
148 3FHI ANP 12.1622
149 2QCS ANP 12.1622
150 4WB6 ATP 12.1622
151 4UXL 5P8 12.1622
152 3ZRM ZRM 12.1622
153 3IDB ANP 12.1622
154 2JLD AG1 12.1622
155 4NM5 ADP 12.1622
156 5EYK 5U5 12.1622
157 3F7Z 34O 12.1622
158 2Q7D ANP 12.8378
159 3HMO STU 13.5135
160 3DLS ADP 13.5135
161 5C03 AGS 13.5135
162 5N87 N66 14.1892
163 5Y86 HRM 14.8649
164 4E1Z 0MX 16.2162
165 6AC9 ANP 16.2162
166 6C1S EFV 16.2162
167 4LRJ ANP 16.2162
168 5FBN 5WF 16.8919
169 5L3R GCP 17.5676
170 5EFQ ADP 18.2432
171 4YZC STU 18.2432
172 2X2M X2M 19.5946
173 4IJP 1EH 20.2703
174 4OAV ACP 20.2703
175 4WQQ MAN 20.5674
176 1XJD STU 20.9459
177 3GC0 AMP 20.9459
178 2CSN CKI 21.6216
179 3SLS ANP 21.6216
180 4BTK DTQ 21.6216
181 3P7G MAN 21.9178
182 5M62 BGC 22.2973
183 5M62 GLC 22.2973
184 4O1P ANP 22.2973
185 5AWM ANP 22.2973
186 1TLG GAL 22.4
187 3GNI ATP 27.7027
188 3ALT MLB 30.4054
189 4KZV TRE 30.597
190 1JZN BGC GAL 31.1111
191 4ZES MMA 31.9728
192 5JQ1 ZPF 32.4138
193 1SL6 GAL NDG FUC 32.4324
194 3WH2 FLC 33.3333
195 1K9J NAG MAN MAN MAN NAG 34.5324
196 2OX9 GAL NAG FUC 36.4286
197 1G1T SIA GAL MAG FUC 37.1622
198 1SL4 MAN MAN MAN MAN 37.8378
199 3VYK MMA MAN NAG MAN NAG NAG 40.3101
200 1BCJ NGA 43.2432
201 1PWB GLC GLC 47.973
202 1PWB GLC 47.973
Pocket No.: 2; Query (leader) PDB : 3PAK; Ligand: MAN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3pak.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3PAK; Ligand: MAN; 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: 3pak.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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