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Receptor
PDB id Resolution Class Description Source Keywords
1KX0 2 Å NON-ENZYME: BINDING RAT MANNOSE PROTEIN A (H189V I207V) COMPLEXED WITH MAN-A13-M RATTUS NORVEGICUS LECTIN C-TYPE LECTIN CALCIUM-BINDING PROTEIN IMMUNE SYSTEBINDING PROTEIN
Ref.: ORIENTATION OF BOUND LIGANDS IN MANNOSE-BINDING PRO IMPLICATIONS FOR MULTIVALENT LIGAND RECOGNITION. J.BIOL.CHEM. V. 277 16088 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:503;
A:504;
A:505;
B:603;
B:604;
B:605;
C:703;
C:704;
C:705;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL A:506;
B:606;
C:706;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
MAN A:501;
A:502;
Invalid;
Invalid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
MAN MAN B:601;
C:701;
Valid;
Valid;
none;
none;
submit data
342.297 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1BCJ 2.1 Å NON-ENZYME: BINDING MANNOSE-BINDING PROTEIN-A MUTANT (QPDWGHV) COMPLEXED WITH N- ACETYL-D-GALACTOSAMINE RATTUS NORVEGICUS LECTIN C-TYPE LECTIN CALCIUM-BINDING PROTEIN
Ref.: MECHANISM OF N-ACETYLGALACTOSAMINE BINDING TO A C-TYPE ANIMAL LECTIN CARBOHYDRATE-RECOGNITION DOMAIN. J.BIOL.CHEM. V. 273 19502 1998
Members (15)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1AFB - NGA C8 H15 N O6 CC(=O)N[C@....
2 1KWW - MFU C7 H14 O5 C[C@H]1[C@....
3 1KX0 - MAN MAN n/a n/a
4 1KWY - MAN MAN n/a n/a
5 1FIH - NGA C8 H15 N O6 CC(=O)N[C@....
6 4KMB - G4S MAG FUC n/a n/a
7 1BCH - NGA C8 H15 N O6 CC(=O)N[C@....
8 1KWV - NAG C8 H15 N O6 CC(=O)N[C@....
9 1BCJ Kd = 0.2 mM NGA C8 H15 N O6 CC(=O)N[C@....
10 1KWX - MFB C7 H14 O5 C[C@H]1[C@....
11 1KWU - MMA C7 H14 O6 CO[C@@H]1[....
12 1KWZ - MAN MAN n/a n/a
13 1AFA - MBG C7 H14 O6 CO[C@H]1[C....
14 3KMB - FUC C6 H12 O5 C[C@H]1[C@....
15 2KMB - SIA GAL MAG FUC n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1AFB - NGA C8 H15 N O6 CC(=O)N[C@....
2 1KWW - MFU C7 H14 O5 C[C@H]1[C@....
3 1KX0 - MAN MAN n/a n/a
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 3IKR - MAN C6 H12 O6 C([C@@H]1[....
2 1PWB - GLC C6 H12 O6 C([C@@H]1[....
3 3IKQ - MAN C6 H12 O6 C([C@@H]1[....
4 3IKP - IPD C6 H11 O9 P [C@H]1([C@....
5 5OXS - K5B GMH GMH GLC n/a n/a
6 5OXR - K5B GMH GMH n/a n/a
7 3IKN - GAL C6 H12 O6 C([C@@H]1[....
8 2MSB Ki = 1.3 mM NAG BMA MAN MAN MAN MAN MAN n/a n/a
9 4DN8 - BMA C6 H12 O6 C([C@@H]1[....
10 1AFB - NGA C8 H15 N O6 CC(=O)N[C@....
11 1KWW - MFU C7 H14 O5 C[C@H]1[C@....
12 1KX0 - MAN MAN n/a n/a
13 1KWY - MAN MAN n/a n/a
14 1FIH - NGA C8 H15 N O6 CC(=O)N[C@....
15 4KMB - G4S MAG FUC n/a n/a
16 1BCH - NGA C8 H15 N O6 CC(=O)N[C@....
17 1KWV - NAG C8 H15 N O6 CC(=O)N[C@....
18 1BCJ Kd = 0.2 mM NGA C8 H15 N O6 CC(=O)N[C@....
19 1KWX - MFB C7 H14 O5 C[C@H]1[C@....
20 1KWU - MMA C7 H14 O6 CO[C@@H]1[....
21 1KWZ - MAN MAN n/a n/a
22 1AFA - MBG C7 H14 O6 CO[C@H]1[C....
23 3KMB - FUC C6 H12 O5 C[C@H]1[C@....
24 2KMB - SIA GAL MAG FUC n/a n/a
25 2RIA ic50 = 2.7 mM 289 C7 H14 O7 C([C@H]([C....
26 3G81 - MMA C7 H14 O6 CO[C@@H]1[....
27 2ORJ - BM3 C8 H15 N O6 CC(=O)N[C@....
28 2GGX ic50 = 0.32 mM NPJ C18 H25 N O13 c1cc(ccc1[....
29 2RIE - 293 C7 H14 O6 C1[C@H]([C....
30 2RIC - GMH GMH n/a n/a
31 3G84 - MAN MAN n/a n/a
32 2ORK ic50 = 1.4 mM IPD C6 H11 O9 P [C@H]1([C@....
33 2OS9 - INS C6 H12 O6 C1(C(C(C(C....
34 2GGU ic50 = 0.94 mM MLR C18 H32 O16 C([C@@H]1[....
35 3G83 - MAN MAN n/a n/a
36 2RID ic50 = 1.7 mM 291 C11 H19 N O8 C=CCO[C@@H....
37 1KZD - NAG C8 H15 N O6 CC(=O)N[C@....
38 1RDI Ki = 8.8 mM MFU C7 H14 O5 C[C@H]1[C@....
39 1RDL Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
40 1KZC - MAN C6 H12 O6 C([C@@H]1[....
41 1KZA - MAN C6 H12 O6 C([C@@H]1[....
42 1KZE - MAN C6 H12 O6 C([C@@H]1[....
43 1RDN Ki = 14.4 mM NDG C8 H15 N O6 CC(=O)N[C@....
44 1RDK Ki = 114 mM GAL C6 H12 O6 C([C@@H]1[....
45 1KZB - MAN C6 H12 O6 C([C@@H]1[....
46 1RDJ Ki = 21.7 mM MFB C7 H14 O5 C[C@H]1[C@....
47 1RDM Ki = 5.7 mM MMA C7 H14 O6 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MAN; Similar ligands found: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GLA 1 1
2 GAL GLC 1 1
3 GLA BGC 1 1
4 BGC GLC 1 1
5 GLA GLC 1 1
6 LAK 1 1
7 GAL GAL 1 1
8 GLC BGC 1 1
9 MLB 1 1
10 MAN BMA 1 1
11 MAN MAN 1 1
12 BMA GLA 1 1
13 BMA MAN 1 1
14 GLC GLC 1 1
15 GLA BMA 1 1
16 BMA MAN MAN 0.953488 1
17 GLC GLC GLC GLC GLC BGC 0.953488 1
18 MAN MAN MAN 0.953488 1
19 GLC GLC GLC 0.953488 1
20 GLC GLC GLC GLC BGC 0.953488 1
21 AHR AHR 0.75 0.857143
22 FUB AHR 0.75 0.857143
23 MAN MAN MAN MAN 0.732143 1
24 MAN MAN BMA MAN 0.732143 1
25 AHR AHR AHR AHR AHR AHR 0.702128 0.857143
26 FUB AHR AHR 0.702128 0.857143
27 MAN BMA MAN 0.672727 1
28 MAN MMA 0.66 0.942857
29 GLC GLC GLC BGC 0.633333 1
30 M5S 0.606557 1
31 MAN BMA MAN MAN MAN 0.606557 1
32 MAN MAN MAN BMA MAN 0.575758 1
33 BMA BMA GLA BMA BMA 0.546875 1
34 MAN MMA MAN 0.540984 0.942857
35 MAN MAN MAN MAN MAN MAN MAN 0.535211 1
36 RAF 0.515625 0.891892
37 GIV 0.511628 0.848485
38 GLA 0.511628 0.848485
39 WOO 0.511628 0.848485
40 MAN 0.511628 0.848485
41 GAL 0.511628 0.848485
42 GLC 0.511628 0.848485
43 BGC 0.511628 0.848485
44 GXL 0.511628 0.848485
45 BMA 0.511628 0.848485
46 ALL 0.511628 0.848485
47 STW 0.507692 0.891892
48 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
49 BMA MAN MAN MAN MAN 0.485294 1
50 NGB 0.485294 0.622642
51 4CQ 0.483871 0.970588
52 WZ2 0.477612 0.868421
53 LBT 0.472727 1
54 N9S 0.472727 1
55 CBI 0.472727 1
56 MAB 0.472727 1
57 LAT 0.472727 1
58 CBK 0.472727 1
59 B2G 0.472727 1
60 BGC BMA 0.472727 1
61 GLC GAL 0.472727 1
62 GLA GLA 0.472727 1
63 BMA GAL 0.472727 1
64 GLA GAL 0.472727 1
65 MAL 0.472727 1
66 GAL BGC 0.472727 1
67 BGC GAL 0.472727 1
68 NAG MAN MAN 0.472222 0.733333
69 RGG 0.471698 0.882353
70 SUC GLA 0.471429 0.891892
71 DMJ MAN 0.466667 0.695652
72 NOJ BGC 0.466667 0.695652
73 WZ3 0.463768 0.916667
74 DEG 0.462963 0.769231
75 IFM MAN 0.459016 0.711111
76 EMZ 0.458333 0.783784
77 M6P 0.45098 0.674419
78 G6P 0.45098 0.674419
79 BG6 0.45098 0.674419
80 M6D 0.45098 0.674419
81 A6P 0.45098 0.674419
82 BGP 0.45098 0.674419
83 AHR AHR AHR 0.45 0.805556
84 EBG 0.446429 0.837838
85 M3M 0.446429 1
86 LB2 0.446429 1
87 NGR 0.446429 1
88 EBQ 0.446429 0.789474
89 MAN GLC 0.446429 1
90 MT7 0.440678 1
91 MAN BMA BMA BMA BMA BMA 0.440678 1
92 DXI 0.440678 1
93 GLC GAL GAL 0.440678 1
94 BGC BGC BGC BGC 0.440678 1
95 GLC BGC BGC BGC BGC BGC 0.440678 1
96 GLC BGC GLC 0.440678 1
97 CEX 0.440678 1
98 GLC BGC BGC BGC BGC 0.440678 1
99 BGC GLC GLC GLC GLC GLC GLC 0.440678 1
100 MLR 0.440678 1
101 BGC BGC BGC BGC BGC 0.440678 1
102 CE5 0.440678 1
103 MAN BMA BMA BMA BMA 0.440678 1
104 BMA BMA BMA BMA BMA 0.440678 1
105 MTT 0.440678 1
106 MAN MAN BMA BMA BMA BMA 0.440678 1
107 GLC GLC GLC GLC GLC 0.440678 1
108 BGC GLC GLC 0.440678 1
109 BMA MAN BMA 0.440678 1
110 BGC GLC GLC GLC 0.440678 1
111 GLA GAL GLC 0.440678 1
112 CT3 0.440678 1
113 BGC BGC BGC 0.440678 1
114 BGC BGC GLC 0.440678 1
115 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 1
116 CTR 0.440678 1
117 CEY 0.440678 1
118 GLC BGC BGC 0.440678 1
119 GLA GAL BGC 0.440678 1
120 BMA BMA BMA BMA BMA BMA 0.440678 1
121 GLC GLC BGC 0.440678 1
122 CTT 0.440678 1
123 BGC BGC BGC BGC BGC BGC 0.440678 1
124 BGC BGC BGC GLC 0.440678 1
125 MAN BMA BMA 0.440678 1
126 B4G 0.440678 1
127 GAL GAL GAL 0.440678 1
128 BGC GLC GLC GLC GLC 0.440678 1
129 CE8 0.440678 1
130 BMA BMA BMA 0.440678 1
131 GLC BGC BGC BGC 0.440678 1
132 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.440678 1
133 CE6 0.440678 1
134 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.439024 0.6875
135 1GN ACY GAL ACY 1GN BGC GAL BGC 0.439024 0.6875
136 JZR 0.438596 0.714286
137 BHG 0.438596 0.714286
138 GLC HEX 0.438596 0.714286
139 TRE 0.4375 1
140 BMA Z4Y NAG 0.435897 0.717391
141 B7G 0.431034 0.738095
142 KGM 0.431034 0.738095
143 2M4 0.428571 1
144 MBG 0.428571 0.857143
145 MMA 0.428571 0.857143
146 GYP 0.428571 0.857143
147 AMG 0.428571 0.857143
148 GAL GAL SO4 0.424242 0.66
149 BOG 0.423729 0.738095
150 BNG 0.423729 0.738095
151 HSJ 0.423729 0.738095
152 M1P 0.423077 0.697674
153 XGP 0.423077 0.697674
154 G1P 0.423077 0.697674
155 GL1 0.423077 0.697674
156 BGC BGC XYS BGC 0.418919 0.942857
157 GAL FUC 0.416667 0.941176
158 SER MAN 0.416667 0.72093
159 XYT 0.415385 0.767442
160 BQZ 0.415094 0.909091
161 6SA 0.414894 0.733333
162 GAL BGC NAG GAL 0.413333 0.733333
163 GAL BGC BGC XYS 0.410959 0.942857
164 BGC BGC BGC GLC BGC BGC 0.409836 1
165 GLC BGC BGC BGC BGC BGC BGC 0.409836 1
166 GLA EGA 0.409836 0.942857
167 DGD 0.409639 0.733333
168 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.409091 0.733333
169 NAG NAG BMA MAN MAN 0.406977 0.6875
170 T6P 0.40678 0.767442
171 GLA GAL GAL 0.40625 1
172 IAB 0.404494 0.733333
173 MAN MAN BMA 0.403226 1
174 BMA BMA MAN 0.403226 1
175 GLC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
176 BGC BGC BGC XYS BGC XYS XYS 0.402597 0.942857
177 BGC BGC XYS BGC XYS BGC XYS 0.402597 0.942857
178 BMA MAN MAN MAN 0.4 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1BCJ; Ligand: NGA; Similar sites found with APoc: 30
This union binding pocket(no: 1) in the query (biounit: 1bcj.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4MZQ 1VU None
2 4P86 5GP None
3 3BJK CIT None
4 1HGX 5GP None
5 5ZFI 9C9 1.94805
6 4M0R 644 2.11082
7 4ITH RCM 2.5974
8 2WSI FAD 3.24675
9 5GLN XYP XYP XYP 3.8961
10 5GLN XYS 3.8961
11 1DAK ADP 3.8961
12 1DAK DPU 3.8961
13 5Z5I XYS 3.8961
14 5Z5I FUB 3.8961
15 5OYH T99 3.8961
16 1RTF BEN 4.54545
17 2GMH FAD 5.19481
18 1QL9 ZEN 5.19481
19 3F5O UOC COA 5.40541
20 2J8C U10 9.09091
21 6CDZ UMP 9.09091
22 2BW7 ECS 9.74026
23 2BW7 APC 9.74026
24 3T6E MQ9 22.7273
25 5G6U YJM 24.6753
26 5ZCO TGL 27.2727
27 1G1T SIA GAL MAG FUC 33.1169
28 5KTI TRE 6X6 34.2282
29 5JQ1 ZPF 38.6207
30 3PAK MAN 43.2432
Pocket No.: 2; Query (leader) PDB : 1BCJ; Ligand: NGA; Similar sites found with APoc: 26
This union binding pocket(no: 2) in the query (biounit: 1bcj.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 6AR9 3L4 None
2 1TMM HHR None
3 1TMM APC None
4 2XI7 XI7 1.94805
5 2ART LPA AMP 2.5974
6 3OZG SSI 5.19481
7 3TTI KBI 5.84416
8 2R5E QLP 5.84416
9 1N07 ADP 5.84416
10 5VEQ PMP 6.49351
11 2WK9 PLG 6.49351
12 2WK9 PLP 6.49351
13 2WTX UDP 7.14286
14 2WTX VDO 7.14286
15 2X5F PLP 7.79221
16 2C9E PID 8.44156
17 3T01 PPF 8.44156
18 1R27 MGD 9.74026
19 3ATY FMN 10.3896
20 4C9G CXT 11.039
21 2HIM ASN 11.039
22 3E8T UQ8 12.987
23 4Q9N NAI 13.6364
24 1OKC CXT 14.2857
25 4Y9J FAD 21.4286
26 6ECG PM9 29.8701
Pocket No.: 3; Query (leader) PDB : 1BCJ; Ligand: NGA; Similar sites found with APoc: 48
This union binding pocket(no: 3) in the query (biounit: 1bcj.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5ETR APC None
2 5ETR 5RW None
3 1VLH PNS None
4 3V91 UPG 1.2987
5 3U2U UDP 1.2987
6 4WP9 ZDA 1.94805
7 4P83 U5P 1.94805
8 1PZM 5GP 1.94805
9 4OKE AMP 3.24675
10 5HMY LNY 3.24675
11 1BZY IMU 3.24675
12 2RFZ CTR 3.24675
13 2D7I UDP 3.8961
14 1P19 IMP 3.8961
15 2H04 4UN 3.8961
16 2IO8 ADP 3.8961
17 2F57 23D 3.8961
18 5K2M ADP 4.54545
19 3DJL FAD 5.19481
20 1F28 UMP 5.84416
21 2QX0 APC 5.84416
22 3DER ALA LYS 5.84416
23 5CGE 51F 5.84416
24 1LL2 UPG 6.49351
25 1NFU RRP 6.49351
26 4N49 SAM 6.49351
27 2PS1 PRP 7.14286
28 2PS1 ORO 7.14286
29 3APT FAD 7.14286
30 3NRR D16 7.14286
31 3NRR UMP 7.14286
32 4DQ2 BTX 7.14286
33 2QV6 GTP 7.79221
34 1P4A PCP 8.44156
35 1PA9 CSN 8.44156
36 1UPF URF 8.44156
37 4RHY 3QG 9.09091
38 5VZ0 ADP 9.74026
39 1JE1 GMP 9.74026
40 4JAW NGT GAL 10.3896
41 2JFQ DGL 10.3896
42 5YF9 NIO 10.3896
43 4JAW GAL NGT 10.3896
44 4NFE BEN 11.039
45 2PYW ADP 12.3377
46 5Y6Q FAD 13.6364
47 2DWU DGL 18.8312
48 4Y9J UCC 21.4286
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