Receptor
PDB id Resolution Class Description Source Keywords
2RL8 1.45 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE CATION-DEPENDENT MANNOSE 6-PHOSPHATE RECEP 6.5 BOUND TO M6P 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
M6D A:500;
B:501;
 Valid;
Valid;
 none;
none;
 submit data
260.136 C6 H13 O9 P C([C@...
MN A:503;
B:502;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
54.938 Mn [Mn+2...
NAG A:3001;
B:4001;
 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 RECEPTOR BOS TAURUS RECEPTOR CATION DEPENDENT MANNOSE 6-PHOSPHATE P-TYPE LECTITRANSPORT
Ref.: MOLECULAR BASIS OF LYSOSOMAL ENZYME RECOGNITION: THREE-DIMENSIONAL STRUCTURE OF THE CATION-DEPENDENT 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 289 families.
1 1C39 - MAN MAN M6P n/a n/a
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 - MAN MAN M6P 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 214 families.
1 1C39 - MAN MAN M6P n/a n/a
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 - MAN MAN M6P 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 181 families.
1 1C39 - MAN MAN M6P n/a n/a
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 - MAN MAN M6P n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: M6D; Similar ligands found: 43
No: Ligand ECFP6 Tc MDL keys Tc
1 M6P 1 1
2 M6D 1 1
3 A6P 1 1
4 BG6 1 1
5 BGP 1 1
6 G6P 1 1
7 RP5 0.8 0.902439
8 HSX 0.8 0.902439
9 ABF 0.8 0.902439
10 AHG 0.621622 0.795455
11 4R1 0.590909 0.829787
12 GLP 0.590909 0.829787
13 RF5 0.571429 0.8
14 50A 0.571429 0.8
15 BMX 0.55102 0.75
16 4QY 0.55102 0.75
17 16G 0.55102 0.75
18 EMZ 0.55 0.636364
19 GRF 0.547619 0.692308
20 NNG 0.530612 0.75
21 FDQ 0.511111 0.777778
22 G16 0.5 0.951219
23 PRP 0.5 0.880952
24 RI2 0.5 0.857143
25 D6G 0.468085 0.951219
26 GAL 0.461538 0.675
27 GIV 0.461538 0.675
28 GAL GAL 0.461538 0.675
29 BGC 0.461538 0.675
30 BGC GAL 0.461538 0.675
31 MAN 0.461538 0.675
32 WOO 0.461538 0.675
33 BMA 0.461538 0.675
34 GXL 0.461538 0.675
35 GLA 0.461538 0.675
36 GLC 0.461538 0.675
37 ALL 0.461538 0.675
38 GLC GLC 0.461538 0.675
39 N 0.444444 0.777778
40 PPC 0.442308 0.822222
41 BGC GLC GLC GLC GLC 0.433962 0.674419
42 BGC GLC GLC GLC GLC GLC 0.433962 0.674419
43 QIF 0.4 0.951219
Similar Ligands (3D)
Ligand no: 1; Ligand: M6D; Similar ligands found: 219
No: Ligand Similarity coefficient
1 3LJ 0.9505
2 F6P 0.9452
3 PLP 0.9425
4 F1P 0.9382
5 PXP 0.9335
6 TA6 0.9266
7 NPL 0.9242
8 N2M 0.9173
9 1QV 0.9170
10 FER 0.9138
11 PLR 0.9136
12 PMP 0.9129
13 1VQ 0.9128
14 GJK 0.9110
15 2VQ 0.9087
16 F5C 0.9082
17 L21 0.9079
18 6HP 0.9073
19 G1P 0.9071
20 GT1 0.9064
21 TU0 0.9059
22 F1X 0.9049
23 P0P 0.9040
24 HPT 0.9033
25 X04 0.9028
26 PTS 0.9013
27 EXD 0.9008
28 6DP 0.9008
29 5WM 0.9005
30 IPD 0.8998
31 J5B 0.8990
32 RGG 0.8985
33 PLP PMP 0.8984
34 PZP 0.8984
35 B4O 0.8976
36 8NX 0.8967
37 SG2 0.8958
38 AC2 0.8955
39 9F8 0.8952
40 IOS 0.8933
41 MP5 0.8929
42 ZIP 0.8929
43 EBQ 0.8927
44 ZZ2 0.8926
45 CIY 0.8925
46 M7P 0.8922
47 STT 0.8921
48 NTF 0.8920
49 N7I 0.8919
50 DTE 0.8918
51 M3Q 0.8914
52 KLV 0.8912
53 I4D 0.8910
54 CHQ 0.8908
55 2LT 0.8904
56 NIY 0.8898
57 5WN 0.8898
58 QMS 0.8895
59 6Q3 0.8894
60 9BF 0.8885
61 4GP 0.8884
62 MXD 0.8883
63 TRP 0.8877
64 NBV 0.8877
65 3Y7 0.8868
66 AX3 0.8861
67 QUB 0.8858
68 IOP 0.8857
69 O2Y 0.8852
70 DHC 0.8852
71 GA2 0.8847
72 ARP 0.8846
73 KG1 0.8844
74 P7Y 0.8843
75 KYN 0.8843
76 MBP 0.8843
77 5OF 0.8841
78 61M 0.8839
79 3DT 0.8837
80 YO5 0.8835
81 IL5 0.8829
82 XFE 0.8827
83 MPP 0.8826
84 56N 0.8825
85 OSB 0.8823
86 ZYQ 0.8821
87 A5P 0.8820
88 EXL 0.8815
89 2GQ 0.8813
90 APS 0.8813
91 AMR 0.8807
92 AZY 0.8803
93 FF2 0.8803
94 Q5M 0.8801
95 CTE 0.8795
96 FUZ 0.8794
97 ZEZ 0.8794
98 6J5 0.8791
99 ONZ 0.8791
100 DTR 0.8790
101 3D8 0.8788
102 790 0.8787
103 C9M 0.8786
104 SYE 0.8785
105 JF2 0.8779
106 MTS 0.8776
107 SXX 0.8775
108 DAH 0.8772
109 H4B 0.8768
110 EXR 0.8766
111 HBI 0.8764
112 8U3 0.8760
113 ALN 0.8759
114 5WT 0.8759
115 3M8 0.8758
116 RP3 0.8755
117 PE2 0.8744
118 GI3 0.8738
119 TOM 0.8732
120 FWD 0.8731
121 GO8 0.8729
122 67Y 0.8728
123 XQI 0.8728
124 9GP 0.8726
125 T6Z 0.8723
126 GI1 0.8722
127 3IL 0.8721
128 B61 0.8719
129 3B4 0.8717
130 S7P 0.8717
131 CR1 0.8717
132 7ZL 0.8717
133 3RI 0.8716
134 H35 0.8715
135 4Z9 0.8714
136 NPA 0.8713
137 BIO 0.8712
138 DBS 0.8712
139 E9S 0.8711
140 CLU 0.8711
141 CGW 0.8705
142 EGR 0.8703
143 GZV 0.8701
144 KF5 0.8700
145 2KU 0.8695
146 5WS 0.8691
147 IPT 0.8690
148 289 0.8686
149 N88 0.8684
150 PVQ 0.8683
151 PVK 0.8683
152 OUB 0.8683
153 MUK 0.8682
154 C9E 0.8682
155 HE8 0.8681
156 7AP 0.8678
157 5OO 0.8672
158 M02 0.8672
159 H2B 0.8668
160 GRX 0.8666
161 QR2 0.8664
162 NBG 0.8663
163 CL9 0.8661
164 12R 0.8661
165 2UD 0.8661
166 CPW 0.8660
167 MUR 0.8660
168 TZP 0.8658
169 YOF 0.8657
170 ZEC 0.8653
171 LTN 0.8653
172 GI4 0.8653
173 X0T 0.8651
174 GNG 0.8650
175 TB8 0.8647
176 IYR 0.8645
177 55D 0.8643
178 2HC 0.8637
179 CWD 0.8634
180 GL6 0.8631
181 CDY 0.8625
182 ZYV 0.8624
183 MMS 0.8623
184 GZ2 0.8620
185 A1Y 0.8620
186 GAT 0.8615
187 CCV 0.8613
188 F06 0.8610
189 S3C 0.8610
190 TZM 0.8605
191 8MP 0.8602
192 HA6 0.8600
193 AZC 0.8600
194 14W 0.8599
195 9E3 0.8599
196 ZEA 0.8598
197 FNA 0.8598
198 BWD 0.8596
199 0FR 0.8595
200 THM 0.8595
201 CC5 0.8595
202 MUX 0.8592
203 ZIQ 0.8589
204 H7Y 0.8588
205 3D1 0.8587
206 TOH 0.8587
207 4OG 0.8587
208 C4E 0.8585
209 ET0 0.8585
210 2FD 0.8580
211 IBC 0.8580
212 4FE 0.8575
213 AJD 0.8557
214 GB4 0.8557
215 2NJ 0.8530
216 7NU 0.8525
217 IWD 0.8522
218 ELH 0.8518
219 GXD 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M6P; Ligand: M6P; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1m6p.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1M6P; Ligand: M6P; 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: 1m6p.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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