Receptor
PDB id Resolution Class Description Source Keywords
2RL9 2.4 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE CATION-DEPENDENT MANNOSE 6-PHOSPHATE RECEP 6.5 BOUND TO TRIMANNOSIDE BOS TAURUS P-TYPE LECTIN RECEPTOR MANNOSE 6-PHOSPHATE LECTIN GLYCOPLYSOSOME MEMBRANE TRANSMEMBRANE TRANSPORT PROTEIN TRANSSUGAR BINDING PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE MECHANISM OF PH-DEPEND LIGAND BINDING AND RELEASE BY THE CATION-DEPENDENT 6-PHOSPHATE RECEPTOR. J.BIOL.CHEM. V. 283 10124 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M6P MAN MAN A:3001;
B:3004;
Valid;
Valid;
none;
none;
submit data
582.401 n/a [P+](...
MN A:3000;
B:3001;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
NAG A:501;
B:502;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M6P 1.8 Å NON-ENZYME: SIGNAL_HORMONE EXTRACYTOPLASMIC DOMAIN OF BOVINE CATION-DEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR BOS TAURUS RECEPTOR CATION DEPENDENT MANNOSE 6-PHOSPHATE P-TYPE LECTIN TRANSPORT
Ref.: MOLECULAR BASIS OF LYSOSOMAL ENZYME RECOGNITION: THREE-DIMENSIONAL STRUCTURE OF THE CATION-DEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR. CELL(CAMBRIDGE,MASS.) V. 93 639 1998
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1C39 - P3M C18 H33 O19 P C([C@@H]1[....
2 2RLB - M6D C6 H13 O9 P C([C@@H]1[....
3 2RL7 - NAG NAG n/a n/a
4 3K41 Kd = 150 mM M6D C6 H13 O9 P C([C@@H]1[....
5 2RL8 - M6D C6 H13 O9 P C([C@@H]1[....
6 1M6P Kd = 8 uM M6P C6 H13 O9 P C([C@@H]1[....
7 2RL9 - M6P MAN MAN n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 1C39 - P3M C18 H33 O19 P C([C@@H]1[....
2 2RLB - M6D C6 H13 O9 P C([C@@H]1[....
3 2RL7 - NAG NAG n/a n/a
4 3K41 Kd = 150 mM M6D C6 H13 O9 P C([C@@H]1[....
5 2RL8 - M6D C6 H13 O9 P C([C@@H]1[....
6 1M6P Kd = 8 uM M6P C6 H13 O9 P C([C@@H]1[....
7 2RL9 - M6P MAN MAN n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 1C39 - P3M C18 H33 O19 P C([C@@H]1[....
2 2RLB - M6D C6 H13 O9 P C([C@@H]1[....
3 2RL7 - NAG NAG n/a n/a
4 3K41 Kd = 150 mM M6D C6 H13 O9 P C([C@@H]1[....
5 2RL8 - M6D C6 H13 O9 P C([C@@H]1[....
6 1M6P Kd = 8 uM M6P C6 H13 O9 P C([C@@H]1[....
7 2RL9 - M6P MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M6P MAN MAN; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 M6P MAN MAN 1 1
2 MAN MAN BMA 0.721311 0.785714
3 MAN MAN MAN GLC 0.637681 0.785714
4 MAN MAN 0.580645 0.785714
5 2M4 0.580645 0.785714
6 BGC BGC 0.580645 0.785714
7 BMA BMA MAN 0.537313 0.767442
8 BMA MAN MAN 0.5 0.785714
9 FUC GAL 0.492754 0.744186
10 MAN NAG GAL 0.481481 0.611111
11 GAL NAG MAN 0.481481 0.611111
12 T6P 0.463768 0.931818
13 LAT FUC 0.461538 0.767442
14 BGC GAL FUC 0.461538 0.767442
15 FUC LAT 0.461538 0.767442
16 P3M 0.461538 0.931818
17 FUC GAL GLC 0.461538 0.767442
18 GLC GAL FUC 0.461538 0.767442
19 XYS GAL FUC 0.45679 0.75
20 MAN NAG 0.447368 0.611111
21 GLA MBG 0.441176 0.75
22 NAG GAL FUC 0.435294 0.6
23 DR3 0.435294 0.6
24 GAL NAG FUC FUC 0.425287 0.618182
25 FUC GAL NDG FUC 0.425287 0.618182
26 BDZ 0.425287 0.618182
27 FUC NAG GAL FUC 0.425287 0.618182
28 GAL NDG FUC FUC 0.425287 0.618182
29 FUC NDG GAL FUC 0.425287 0.618182
30 BCW 0.425287 0.618182
31 FUC GAL NAG FUC 0.425287 0.618182
32 FUC GAL NDG 0.423529 0.6
33 DR2 0.423529 0.6
34 NDG GAL FUC 0.423529 0.6
35 FUL GAL NAG 0.423529 0.6
36 FUC GAL NAG 0.423529 0.6
37 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.42 0.611111
38 MAN MAN MAN BMA MAN 0.418605 0.785714
39 MAN MAN MAN BMA MAN MAN MAN 0.404255 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M6P; Ligand: M6P; Similar sites found: 50
This union binding pocket(no: 1) in the query (biounit: 1m6p.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZU4 4TG 0.005937 0.42839 1.35135
2 4P5Z Q7M 0.04868 0.40551 1.97368
3 3AIH BMA MAN MAN 0.000003486 0.58045 2.41935
4 2JF4 VDM 0.01109 0.42381 2.63158
5 2A4W BLM 0.008857 0.43634 2.89855
6 3Q60 ATP 0.0143 0.40914 3.28947
7 1GP6 SIN 0.0252 0.40824 3.28947
8 1GP6 DH2 0.0252 0.40824 3.28947
9 3T7V MD0 0.002264 0.43633 3.94737
10 4KYS VIB 0.01185 0.40141 3.94737
11 1AJS PLA 0.03304 0.40061 3.94737
12 4IGH FMN 0.01879 0.44762 4.60526
13 4IGH ORO 0.01879 0.44762 4.60526
14 4IGH 1EA 0.01879 0.44762 4.60526
15 4X5S AZM 0.003818 0.43269 4.60526
16 1UMZ BGC BGC XYS BGC XYS GAL 0.008148 0.41207 4.60526
17 1TLL FMN 0.02056 0.41142 4.60526
18 1DMY AZM 0.01214 0.40608 5.26316
19 1GQG DCD 0.02661 0.40249 5.26316
20 1PZ1 NAP 0.04066 0.40115 5.26316
21 4Q0L V14 0.01078 0.42758 5.92105
22 1W3T 3GR 0.008329 0.41366 5.92105
23 4C2V YJA 0.02807 0.411 5.92105
24 3MF2 AMP 0.02765 0.40318 5.92105
25 4H2V AMP 0.0269 0.40224 5.92105
26 5EYK 5U5 0.03684 0.40219 5.92105
27 1NN5 ANP 0.04486 0.40121 5.92105
28 3ML5 AZM 0.007962 0.40108 5.92105
29 5OO5 UUA 0.008109 0.42157 6.45161
30 5GQF GAL NAG 0.01101 0.41277 6.57895
31 3CU0 UDP 0.02183 0.40356 6.57895
32 4COQ SAN 0.004149 0.43072 7.23684
33 1HDC CBO 0.01894 0.40848 7.23684
34 4IOK ADP 0.03504 0.40334 7.23684
35 4TMK T5A 0.0459 0.40288 7.23684
36 2CJ9 SSA 0.01946 0.40612 7.89474
37 4MLO PAM 0.01862 0.40131 7.89474
38 5D48 L96 0.03455 0.40236 8.55263
39 4PSB GA3 0.009384 0.44128 9.21053
40 2X4Z X4Z 0.03098 0.41325 9.21053
41 5W4W 9WG 0.02219 0.40968 10.5263
42 4P7X YCP 0.01044 0.41804 11.1842
43 4P7X AKG 0.01044 0.41804 11.1842
44 4N8I COA 0.03337 0.40316 11.1842
45 2VUT NAD 0.0213 0.41061 14.4737
46 3W7T BMA 0.02648 0.40416 14.4737
47 4XQM MAN 0.0000002032 0.51637 21.2766
48 5IH1 GDP 0.02899 0.42742 22.3684
49 5IH1 6BQ 0.02899 0.42742 22.3684
50 1SZ0 M6P 0.000006714 0.50619 34.2105
Pocket No.: 2; Query (leader) PDB : 1M6P; Ligand: M6P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1m6p.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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