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Receptor
PDB id Resolution Class Description Source Keywords
4NYT 2.25 Å NON-ENZYME: BINDING L-FICOLIN COMPLEXED TO PHOSPHOCHOLINE HOMO SAPIENS SOLUBLE INNATE IMMUNE RECOGNITION EXTRACELLULAR IMMUNE SYS
Ref.: HUMAN L-FICOLIN RECOGNIZES PHOSPHOCHOLINE MOIETIES PNEUMOCOCCAL TEICHOIC ACID J.IMMUNOL. V. 193 5699 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG NAG FUC MAN C:302;
Invalid;
none;
submit data n/a n/a n/a n/a
CA C:306;
A:304;
A:305;
B:301;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NAG A:302;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
PC A:303;
Valid;
none;
Kd = 3.7 mM
184.151 C5 H15 N O4 P C[N+]...
PO4 C:307;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
ACT C:301;
A:301;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NYT 2.25 Å NON-ENZYME: BINDING L-FICOLIN COMPLEXED TO PHOSPHOCHOLINE HOMO SAPIENS SOLUBLE INNATE IMMUNE RECOGNITION EXTRACELLULAR IMMUNE SYS
Ref.: HUMAN L-FICOLIN RECOGNIZES PHOSPHOCHOLINE MOIETIES PNEUMOCOCCAL TEICHOIC ACID J.IMMUNOL. V. 193 5699 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2J0Y - BGC C6 H12 O6 C([C@@H]1[....
2 2J1G - SC2 C5 H9 N O3 S CC(=O)N[C@....
3 4R9J - 3LJ C6 H13 N O8 S C([C@@H]1[....
4 4NYT Kd = 3.7 mM PC C5 H15 N O4 P C[N+](C)(C....
5 2J3U - GLA C6 H12 O6 C([C@@H]1[....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2J0Y - BGC C6 H12 O6 C([C@@H]1[....
2 2J1G - SC2 C5 H9 N O3 S CC(=O)N[C@....
3 4R9J - 3LJ C6 H13 N O8 S C([C@@H]1[....
4 4NYT Kd = 3.7 mM PC C5 H15 N O4 P C[N+](C)(C....
5 2J3U - GLA C6 H12 O6 C([C@@H]1[....
6 2JHI - A2G C8 H15 N O6 CC(=O)N[C@....
7 2JHL - SLB C11 H19 N O9 CC(=O)N[C@....
8 2JHK - NAG 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 1039 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
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 : 4NYT; Ligand: PC; Similar sites found with APoc: 104
This union binding pocket(no: 1) in the query (biounit: 4nyt.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 2P4T NAP None
2 1L2T ATP 1.84332
3 1U7T TDT 1.84332
4 4NTO 1PW 1.93237
5 1AOE NDP 2.08333
6 1AOE GW3 2.08333
7 3FV1 DYH 2.30415
8 3CB0 FMN 2.31214
9 3GX0 GDS 2.32558
10 1GZF NAD 2.36967
11 1GZF ADP 2.36967
12 5H86 BCO 2.38095
13 3EWR APR 2.38095
14 1KZL CRM 2.40385
15 1KUV CA5 2.41546
16 4NAT ADP 2.5
17 4CYI ATP 2.76498
18 2Y4O DLL 2.76498
19 3R7F CP 2.76498
20 4B7X NAP 2.76498
21 1K4M NAD 2.8169
22 3JQ9 NAP 3.22581
23 3JQB NAP 3.22581
24 3BMN NAP 3.22581
25 1ORR NAD 3.22581
26 2WD7 NAP 3.22581
27 3JQ8 NAP 3.22581
28 4CM9 NAP 3.22581
29 3JQ7 NAP 3.22581
30 5JDC NAP 3.22581
31 3JQA NAP 3.22581
32 1KQN NAD 3.22581
33 5K6A NAP 3.22581
34 4CLR NAP 3.22581
35 3JQF NAP 3.22581
36 5JDI NAP 3.22581
37 4CM4 NAP 3.22581
38 4CME NAP 3.22581
39 4CM8 NAP 3.22581
40 3BMQ NAP 3.22581
41 4CLO NAP 3.22581
42 5JCJ NAP 3.22581
43 4CMI NAP 3.22581
44 2VZ0 NAP 3.22581
45 2VZ0 D64 3.22581
46 3JQG NAP 3.22581
47 3RSC TYD 3.22581
48 3BMO NAP 3.22581
49 4N65 FMN 3.30189
50 4N65 AQN 3.30189
51 4G6I RS3 3.33333
52 3MQG ACO 3.64583
53 5X40 ACP 3.68664
54 1M13 HYF 3.68664
55 2DX7 CIT 3.68664
56 5AA4 6X4 3.68664
57 5WPJ NDP 3.68664
58 6GIU L69 4.14747
59 3O0Q ADN 4.14747
60 3O0Q GDP 4.14747
61 3O0Q TTP 4.14747
62 5X8G S0N 4.14747
63 5MZN ADP 4.14747
64 1OJZ NAD 4.24528
65 5W8E SXZ 4.60829
66 3P2E SAH 4.60829
67 3I9L N1C 4.60829
68 4NBU CAA 4.60829
69 3WQQ IB3 4.60829
70 3WQQ NDP 4.60829
71 3V1U HXC 4.60829
72 4WHZ 3NL 5.06912
73 5BW4 SAM 5.06912
74 1LLF F23 5.06912
75 3RLF ANP 5.52995
76 3VPC ADP 5.52995
77 2QTR NXX 5.82011
78 4OOE NDP 5.94059
79 4OOE FOM 5.94059
80 4LAE 1VM 5.98802
81 4LAE NAP 5.98802
82 1I36 NAP 5.99078
83 3W6C NAG NAG 6.01093
84 1QSR ACO 6.17284
85 5JPH COA 6.25
86 2H29 DND 6.34921
87 3H4V NAP 6.45161
88 3H4V DVP 6.45161
89 2A9K NAD 6.95187
90 3Q8G PEE 7.8341
91 5FEU NAP 8.29493
92 4XSH NAI 8.93855
93 2AGD UDH 9.21659
94 3EM1 TYD 9.58904
95 1M4I KAN 9.94475
96 1M4I COA 9.94475
97 2R0N FAD 10.5991
98 3FVQ ATP 10.5991
99 2XBN PMP 10.5991
100 4O12 2QG 12.9032
101 2D7I UDP 14.7465
102 3DHV DAL AMP 14.7465
103 5LLT DND 16.4319
104 1BOB ACO 17.0507
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