Receptor
PDB id Resolution Class Description Source Keywords
5FFR 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF SURFACTANT PROTEIN-A COMPLEXED WITH PHOSPHOCHOLINE RATTUS NORVEGICUS COLLECTIN CARBOHYDRATE BINDING LECTIN LIPID BINDING SUGAPROTEIN
Ref.: ELUCIDATION OF LIPID BINDING SITES ON LUNG SURFACTA PROTEIN A USING X-RAY CRYSTALLOGRAPHY, MUTAGENESIS, MOLECULAR DYNAMICS SIMULATIONS. BIOCHEMISTRY V. 55 3692 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:301;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
PC A:302;
Valid;
none;
submit data
184.151 C5 H15 N O4 P C[N+]...
NA A:303;
Part of Protein;
none;
submit data
22.99 Na [Na+]
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 1256 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 1068 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 922 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: PC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PC 1 1
2 OPE 0.518519 0.680851
3 CH5 0.45 0.84
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PAK; Ligand: MAN; Similar sites found: 155
This union binding pocket(no: 1) in the query (biounit: 3pak.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SS4 CIT 0.00665 0.4946 None
2 4N02 FNR 0.000443 0.46875 None
3 1NU4 MLA 0.00102 0.43294 None
4 2VKL MLT 0.01232 0.43143 None
5 4AF5 CIT 0.003154 0.43077 None
6 4A6F SEP 0.01557 0.42613 None
7 4JCA CIT 0.02153 0.41877 None
8 9LDT OXM 0.02283 0.41744 None
9 1QH9 LAC 0.009424 0.40985 1.35135
10 3K3G MMU 0.00639 0.40887 1.35135
11 1ULE GLA GAL NAG 0.00588 0.43202 2.02703
12 2J0W ASP 0.01122 0.41231 2.02703
13 3CBG 4FE 0.005389 0.45008 2.7027
14 2IZ1 ATR 0.004613 0.42351 2.7027
15 3EJ0 11X 0.006555 0.40841 2.7027
16 3VCA PRO 0.00003238 0.50445 3.37838
17 2XI7 XI7 0.003622 0.4692 3.37838
18 1NXJ GLV 0.0002057 0.46046 3.37838
19 1NXJ TLA 0.0001248 0.44163 3.37838
20 3O03 GCO 0.006174 0.43857 3.37838
21 1I1Q TRP 0.004625 0.40692 3.37838
22 1JGS SAL 0.002121 0.48184 3.62319
23 1WKL ATP 0.0007035 0.40521 3.64964
24 3VPD BUA 0.0002258 0.5405 4.05405
25 3B9Z CO2 0.00003343 0.51748 4.05405
26 1OMZ UD2 0.0002691 0.46938 4.05405
27 1QO0 BMD 0.001364 0.44676 4.05405
28 1PEA ACM 0.009118 0.42295 4.05405
29 3BLI PYR 0.008773 0.4172 4.05405
30 2PAR TMP 0.006255 0.41533 4.05405
31 2BLE 5GP 0.01237 0.41481 4.05405
32 3ZPG 5GP 0.03388 0.4017 4.05405
33 3TKA CTN 0.0001306 0.56391 4.72973
34 2ZJ5 ADP 0.001294 0.44098 4.72973
35 2R00 OEG 0.002792 0.43992 4.72973
36 1WTC ACP 0.003326 0.43646 4.72973
37 1LDM OXM 0.001212 0.42445 4.72973
38 3VHZ L2P GLC MAN SGA 0.0103 0.42223 4.72973
39 3VHZ SOG 0.008793 0.42223 4.72973
40 1Z44 NPO 0.04068 0.4117 4.72973
41 1Z6K OAA 0.004313 0.401 4.72973
42 3EM1 TYD 0.00001354 0.43122 4.79452
43 4F8L GAL 0.009828 0.44558 4.82759
44 3S9K CIT 0.01299 0.44259 5.08475
45 4B16 NAG 0.001634 0.47694 5.40541
46 2BO4 FLC 0.005059 0.42813 5.40541
47 1J2Z SOG 0.0005511 0.41937 5.40541
48 4DYO SD4 0.002786 0.41564 5.40541
49 2XUM OGA 0.009867 0.40897 5.40541
50 4B9E FAH 0.01748 0.40347 5.40541
51 3CL7 HYN 0.004017 0.40152 5.40541
52 1R6W 164 0.002122 0.40125 5.40541
53 1FWE HAE 0.003055 0.41406 5.66038
54 1C1L GAL BGC 0.01588 0.40538 5.83942
55 4Q3F TLA 0.001716 0.42399 5.98291
56 1JAC AMG 0.001732 0.47563 6.01504
57 3IHB TRS 0.000007458 0.63928 6.08108
58 1V5F TPP 0.005947 0.45862 6.08108
59 1V5F FAD 0.005947 0.45862 6.08108
60 1HQL GLA MBG 0.001734 0.44937 6.08108
61 2V9M CIT 0.000371 0.44417 6.08108
62 4G1V FAD 0.007117 0.44089 6.08108
63 3SQG COM 0.01004 0.43605 6.08108
64 3MAG 3MA 0.01786 0.42301 6.08108
65 2BZ1 TAU 0.03387 0.4161 6.08108
66 4E28 9MZ 0.01099 0.4069 6.08108
67 1E7S NAP 0.00805 0.40005 6.08108
68 2W3L DRO 0.0128 0.42283 6.25
69 3QDY CBS 0.0005853 0.47087 6.29371
70 3QDV A2G 0.005894 0.43957 6.29371
71 3QDW A2G 0.006504 0.43745 6.29371
72 3QDV NDG 0.007397 0.42059 6.29371
73 3QDW NDG 0.008202 0.41854 6.29371
74 3QDT A2G GAL 0.01271 0.41608 6.29371
75 3QDY A2G GAL 0.02012 0.40654 6.29371
76 3F81 STT 0.003479 0.45092 6.75676
77 2OWZ CIT 0.003736 0.42754 6.75676
78 2Q3M MLA 0.01664 0.41716 6.75676
79 3I51 45C 0.002225 0.40947 6.75676
80 1A8S PPI 0.003229 0.40575 6.75676
81 1NOW IFG 0.01053 0.40235 6.75676
82 2P69 PLP 0.01089 0.40173 6.75676
83 3UEC ALA ARG TPO LYS 0.00627 0.42387 6.84932
84 3IB9 BTN 0.0001355 0.50466 7.43243
85 1G0V NAG 0.004088 0.46392 7.43243
86 3I8T LBT 0.001566 0.4313 7.43243
87 2BGM NAJ 0.005166 0.42891 7.43243
88 1Z45 GAL 0.003201 0.41859 7.43243
89 1A5V Y3 0.005342 0.41487 7.43243
90 3UDG TMP 0.02562 0.40779 7.43243
91 2BGM MAX 0.00414 0.40104 7.43243
92 1NME 159 0.0006807 0.42343 7.53425
93 2FWP CIT 0.0001737 0.46112 7.65027
94 2FWP ICR 0.004396 0.41353 7.65027
95 1PTR PRB 0.007553 0.42018 8
96 2ZWS PLM 0.001167 0.49595 8.10811
97 3EYK EYK 0.004399 0.42442 8.10811
98 3U1T MLI 0.01335 0.40885 8.10811
99 1YFZ IMP 0.00806 0.40728 8.10811
100 4TMK T5A 0.0007768 0.48832 8.78378
101 2WIC GNP 0.00002885 0.42404 8.78378
102 2TOH HBI 0.00003327 0.41464 8.78378
103 1KC7 PPR 0.01461 0.40705 8.78378
104 3CXO 3LR 0.0000379 0.40122 8.78378
105 1ZED PNP 0.007448 0.42045 9.45946
106 1GJW GLC 0.01388 0.40807 9.45946
107 2GN2 C5P 0.0005472 0.41575 11.4865
108 4RJK PYR 0.006272 0.43069 12.1622
109 1RY2 AMP 0.0008792 0.42711 12.1622
110 1O9U ADZ 0.02439 0.40887 12.1622
111 3MD0 GDP 0.004609 0.40698 12.1622
112 1MG1 MAL 0.00303 0.40258 12.1622
113 1BTN I3P 0.00514 0.4669 12.2642
114 1XX4 BAM 0.0018 0.43182 12.8378
115 2OHV NHL 0.005654 0.40346 12.8378
116 1UUY PPI 0.0002765 0.50535 13.5135
117 2Q8H TF4 0.002111 0.46166 13.5135
118 4N69 SER 0.001951 0.43994 13.5135
119 1LCP PLU 0.00005801 0.40507 13.5135
120 2EB5 OXL 0.002725 0.43356 14.1892
121 4MOB ADP 0.00093 0.41153 14.1892
122 3RKR NAP 0.00362 0.40622 14.1892
123 2YD6 FLC 0.00037 0.54293 14.8649
124 4OYA 1VE 0.001114 0.47719 14.8649
125 1T10 F6P 0.0003029 0.4677 14.8649
126 1T0S BML 0.006415 0.43022 14.8649
127 4W6Z ETF 0.03243 0.40266 15.5405
128 1H8G CHT 0.00305 0.47327 15.7895
129 1P9B HDA 0.002759 0.42704 16.2162
130 43CA NPO 0.03917 0.41509 16.8142
131 2ZO9 MLI 0.001045 0.42426 16.8919
132 1Y13 BIO 0.004886 0.40122 16.8919
133 3VKX T3 0.0002256 0.41274 17.5676
134 3NOJ PYR 0.0002092 0.47072 18.2432
135 2VQ5 HBA 0.01798 0.4029 18.9189
136 1H16 PYR 0.01541 0.41208 19.5946
137 1UW1 ADP 0.002179 0.43139 20
138 1JOT GAL A2G 0.001275 0.42361 20
139 1Q3P GLU ALA GLN THR ARG LEU 0.0004604 0.44661 20.1835
140 1LTH OXM 0.002847 0.41023 20.2703
141 1LTH FBP 0.009254 0.4102 20.2703
142 4WQQ MAN 0.01653 0.43969 20.5674
143 3KPE TM3 0.003425 0.4292 21.5686
144 2V5E SCR 0.003101 0.46252 21.6216
145 2AEB ABH 0.0005777 0.44511 21.6216
146 3P7G MAN 0.02248 0.43319 21.9178
147 1NPL MAN 0.001347 0.447 22.9358
148 3L24 GOA 0.003158 0.453 25
149 4KZV TRE 0.03087 0.41878 30.597
150 1JZN BGC GAL 0.003033 0.49959 31.1111
151 4ZES MMA 0.00208 0.49613 31.9728
152 2OX9 GAL NAG FUC 0.04867 0.401 36.4286
153 3VYK MMA MAN NAG MAN NAG NAG 0.02221 0.4262 40.3101
154 1PWB GLC GLC 0.001062 0.52296 47.973
155 1PWB GLC 0.0009844 0.51646 47.973
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