Receptor
PDB id Resolution Class Description Source Keywords
4M7F 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF TETRAMERIC FIBRINOGEN-LIKE RECOGNITION FIBCD1 WITH BOUND MANNAC HOMO SAPIENS FIBRINOGEN-LIKE DOMAIN N-ACETYL-BINDING PROTEIN SUGAR BINDPROTEIN
Ref.: CRYSTAL STRUCTURE OF THE TETRAMERIC FIBRINOGEN-LIKE RECOGNITION DOMAIN OF FIBRINOGEN C DOMAIN CONTAININ (FIBCD1) PROTEIN. J.BIOL.CHEM. V. 289 2880 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:503;
A:504;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
CA A:501;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
BM3 A:503;
B:502;
Valid;
Valid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG A:502;
Invalid;
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
4M7F 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF TETRAMERIC FIBRINOGEN-LIKE RECOGNITION FIBCD1 WITH BOUND MANNAC HOMO SAPIENS FIBRINOGEN-LIKE DOMAIN N-ACETYL-BINDING PROTEIN SUGAR BINDPROTEIN
Ref.: CRYSTAL STRUCTURE OF THE TETRAMERIC FIBRINOGEN-LIKE RECOGNITION DOMAIN OF FIBRINOGEN C DOMAIN CONTAININ (FIBCD1) PROTEIN. J.BIOL.CHEM. V. 289 2880 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4M7F - BM3 C8 H15 N O6 CC(=O)N[C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4M7F - BM3 C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4M7F - BM3 C8 H15 N O6 CC(=O)N[C@....
2 2J0Y - BGC C6 H12 O6 C([C@@H]1[....
3 2J1G - SC2 C5 H9 N O3 S CC(=O)N[C@....
4 4R9J - 3LJ C6 H13 N O8 S C([C@@H]1[....
5 4NYT Kd = 3.7 mM PC C5 H15 N O4 P C[N+](C)(C....
6 2J3U - GLA C6 H12 O6 C([C@@H]1[....
7 2J60 - ABE C6 H12 O4 C[C@@H]1[C....
8 2J5Z - GAL C6 H12 O6 C([C@@H]1[....
9 1JC9 - NAG C8 H15 N O6 CC(=O)N[C@....
10 2JHI - A2G C8 H15 N O6 CC(=O)N[C@....
11 2JHL - SLB C11 H19 N O9 CC(=O)N[C@....
12 2JHK - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BM3; Similar ligands found: 80
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G 1 1
2 HSQ 1 1
3 NAG 1 1
4 NGA 1 1
5 BM3 1 1
6 NDG 1 1
7 BGN 0.638298 0.888889
8 SIZ 0.630435 0.906977
9 YX1 0.625 0.65
10 STZ 0.612245 0.65
11 16G 0.591837 0.735849
12 4QY 0.591837 0.735849
13 BMX 0.591837 0.735849
14 9C1 0.58 0.886364
15 SNG 0.5625 0.866667
16 NG6 0.54902 0.661017
17 NGS 0.54902 0.661017
18 GDL NAG 0.54386 0.833333
19 ASG 0.538462 0.661017
20 BG8 0.537037 0.906977
21 MAG 0.530612 0.909091
22 2F8 0.530612 0.909091
23 NAG GAL 0.517857 0.888889
24 4V5 0.517241 0.829787
25 A2G NAG 0.517241 0.833333
26 MAN NAG 0.508772 0.888889
27 4UZ 0.508475 0.808511
28 NAG NAG NAG NAG NAG 0.508197 0.816327
29 NAG NAG NAG NAG NAG NAG 0.508197 0.816327
30 NAG NAG NAG NAG NAG NAG NAG NAG 0.508197 0.816327
31 NDG NAG NAG NAG NAG 0.508197 0.816327
32 MQG 0.5 0.698113
33 NBG 0.5 0.951219
34 BMX BMX BMX BM3 0.5 0.701754
35 A2G GAL 0.491228 0.888889
36 AMU 0.490909 0.930233
37 NG1 0.490566 0.754717
38 GN1 0.490566 0.754717
39 NDG NAG 0.47541 0.816327
40 GAL NAG 0.459016 0.888889
41 NAG GAL NAG 0.455882 0.833333
42 NAG FUC 0.45 0.888889
43 3YW 0.448276 0.930233
44 NAG GAL GAL 0.446154 0.888889
45 NAG NAG 0.430769 0.816327
46 GAL NGA 0.428571 0.869565
47 NAG G6S 0.426471 0.645161
48 NAG GAL FUC A2G 0.426471 0.869565
49 GYU 0.42623 0.740741
50 SER A2G 0.42623 0.816327
51 TNR 0.42623 0.833333
52 GAL NGA A2G 0.424242 0.833333
53 NAG BDP 0.421875 0.851064
54 MBG NAG 0.419355 0.851064
55 BGC GAL NGA 0.41791 0.888889
56 AZC 0.415094 0.795918
57 SN5 SN5 0.412698 0.705882
58 MBG A2G 0.412698 0.851064
59 6ZC 0.409091 0.655738
60 LEC 0.409091 0.655738
61 NAG GAL BGC GAL 0.408451 0.888889
62 NAG NAG NAG TMX 0.408451 0.689655
63 GLC 0.404762 0.7
64 GAL 0.404762 0.7
65 GIV 0.404762 0.7
66 BGC 0.404762 0.7
67 BMA 0.404762 0.7
68 WOO 0.404762 0.7
69 GAL GAL 0.404762 0.7
70 GLA 0.404762 0.7
71 MAN 0.404762 0.7
72 ALL 0.404762 0.7
73 BGC GAL 0.404762 0.7
74 GLC GLC 0.404762 0.7
75 GXL 0.404762 0.7
76 A2G GAL NAG 0.402778 0.833333
77 AMU NAG 0.402778 0.8
78 BMA MAN NAG 0.4 0.888889
79 NAG GAL FUC 0.4 0.869565
80 GAL FUC A2G 0.4 0.869565
Similar Ligands (3D)
Ligand no: 1; Ligand: BM3; Similar ligands found: 203
No: Ligand Similarity coefficient
1 NOK 0.9427
2 GDL 0.9405
3 LTM 0.9361
4 LOG 0.9360
5 BEU 0.9360
6 I4D 0.9198
7 2CZ 0.9164
8 HHT 0.9112
9 ZPF 0.9092
10 ALX 0.9079
11 9R5 0.9058
12 BNX 0.9055
13 ST3 0.9051
14 F34 0.9050
15 DJN 0.9038
16 327 0.9038
17 GC3 0.9036
18 PQZ 0.9030
19 PQK 0.9029
20 ST2 0.9018
21 S8A 0.8992
22 IFG 0.8988
23 S7G 0.8979
24 NGT 0.8979
25 H62 0.8978
26 86L 0.8969
27 LIP 0.8964
28 57O 0.8961
29 L1Q 0.8956
30 PRF 0.8947
31 505 0.8942
32 KJ5 0.8942
33 NGW 0.8937
34 3C4 0.8929
35 EPR 0.8923
36 BBK 0.8920
37 RH1 0.8918
38 JXZ 0.8915
39 FWD 0.8899
40 GSY 0.8895
41 NGO 0.8894
42 8WO 0.8887
43 0QW 0.8883
44 2UZ 0.8883
45 B62 0.8879
46 IAC 0.8878
47 DHY 0.8875
48 2GS 0.8874
49 4RU 0.8868
50 3XR 0.8865
51 0FN 0.8865
52 X1P 0.8864
53 0JD 0.8862
54 TNX 0.8860
55 MP5 0.8858
56 G1P 0.8849
57 G6P 0.8848
58 9H2 0.8846
59 BDP 0.8844
60 IPD 0.8844
61 JWB 0.8843
62 X04 0.8839
63 ARP 0.8837
64 S0G 0.8837
65 CWD 0.8832
66 SBK 0.8832
67 3N1 0.8831
68 APS 0.8830
69 5WU 0.8830
70 GF4 0.8825
71 JTH 0.8824
72 3TV 0.8822
73 GFP 0.8822
74 GJP 0.8820
75 M1P 0.8816
76 2CL 0.8816
77 S24 0.8813
78 EV3 0.8812
79 54Z 0.8810
80 289 0.8807
81 JV4 0.8806
82 NZ9 0.8805
83 IWD 0.8804
84 44V 0.8800
85 GCU 0.8799
86 GXY 0.8797
87 ISC 0.8794
88 BWD 0.8793
89 GCO 0.8784
90 HWD 0.8781
91 4AA 0.8778
92 PYU 0.8776
93 HQ9 0.8773
94 GP1 0.8771
95 F52 0.8765
96 IBM 0.8763
97 PXP 0.8760
98 PLP 0.8760
99 5FN 0.8758
100 PMP 0.8756
101 CIP 0.8756
102 2KA 0.8754
103 QLI 0.8754
104 W81 0.8753
105 TLG 0.8752
106 K2Q 0.8750
107 ISD 0.8749
108 TWO 0.8746
109 TLE 0.8746
110 3MG 0.8742
111 K82 0.8741
112 GPM 0.8741
113 PFB 0.8739
114 CLU 0.8739
115 NOJ 0.8739
116 CS2 0.8733
117 H5B 0.8732
118 JVA 0.8730
119 ZB1 0.8730
120 68A 0.8730
121 ZZZ 0.8729
122 BCU 0.8727
123 3RI 0.8726
124 3DM 0.8726
125 PFL 0.8722
126 OMD 0.8722
127 9PY 0.8722
128 GF1 0.8719
129 EMZ 0.8709
130 H6B 0.8708
131 AEZ 0.8706
132 ASC 0.8705
133 15L 0.8704
134 GCB 0.8698
135 FUD 0.8698
136 NSG 0.8698
137 GNL 0.8698
138 CFA 0.8691
139 948 0.8691
140 E7R 0.8691
141 YTX 0.8687
142 4WF 0.8685
143 GLO 0.8684
144 OIA 0.8683
145 6FZ 0.8682
146 F6P 0.8682
147 MIG 0.8679
148 GC2 0.8678
149 CH8 0.8676
150 6E8 0.8671
151 ICT 0.8668
152 PLR 0.8665
153 TLM 0.8662
154 CN0 0.8661
155 1U6 0.8660
156 L7T 0.8659
157 2EC 0.8658
158 MTL 0.8657
159 VXX 0.8656
160 NFM 0.8654
161 5NS 0.8654
162 FLC 0.8652
163 CIT 0.8648
164 JYT 0.8643
165 BNT 0.8643
166 KGK 0.8636
167 SOR 0.8633
168 M6P 0.8632
169 G3F 0.8617
170 FPL 0.8617
171 ST1 0.8615
172 9LI 0.8614
173 KG1 0.8614
174 27B 0.8613
175 5NE 0.8610
176 UFO 0.8610
177 0FK 0.8609
178 LGC 0.8609
179 15N 0.8607
180 MJ5 0.8605
181 ICB 0.8598
182 CPW 0.8597
183 JXW 0.8596
184 L21 0.8596
185 EVA 0.8595
186 HA5 0.8595
187 1FD 0.8584
188 2CG 0.8584
189 H4B 0.8582
190 TMG 0.8581
191 DEG 0.8573
192 67Y 0.8568
193 JF2 0.8565
194 GNM 0.8563
195 0J5 0.8561
196 94B 0.8556
197 4XV 0.8556
198 2BX 0.8544
199 KBG 0.8535
200 61M 0.8534
201 GIM 0.8523
202 TL6 0.8522
203 3LJ 0.8522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M7F; Ligand: BM3; 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: 4m7f.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4M7F; Ligand: BM3; 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: 4m7f.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4M7F; Ligand: BM3; 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: 4m7f.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4M7F; Ligand: BM3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4m7f.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4M7F; Ligand: BM3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4m7f.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4M7F; Ligand: BM3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4m7f.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4M7F; Ligand: BM3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4m7f.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4M7F; Ligand: BM3; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4m7f.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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