-->
Receptor
PDB id Resolution Class Description Source Keywords
1B09 2.5 Å NON-ENZYME: IMMUNE HUMAN C-REACTIVE PROTEIN COMPLEXED WITH PHOSPHOCHOLINE HOMO SAPIENS PENTRAXIN ACUTE-PHASE REACTANT PHOSPHOCHOLINE IMMUNE SYSTEM
Ref.: THE PHYSIOLOGICAL STRUCTURE OF HUMAN C-REACTIVE PROTEIN AND ITS COMPLEX WITH PHOSPHOCHOLINE. STRUCTURE FOLD.DES. V. 7 169 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:301;
A:302;
B:301;
B:302;
C:301;
C:302;
D:301;
D:302;
E:301;
E:302;
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;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
PC A:500;
B:500;
C:500;
D:500;
E:500;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
184.151 C5 H15 N O4 P C[N+]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1B09 2.5 Å NON-ENZYME: IMMUNE HUMAN C-REACTIVE PROTEIN COMPLEXED WITH PHOSPHOCHOLINE HOMO SAPIENS PENTRAXIN ACUTE-PHASE REACTANT PHOSPHOCHOLINE IMMUNE SYSTEM
Ref.: THE PHYSIOLOGICAL STRUCTURE OF HUMAN C-REACTIVE PROTEIN AND ITS COMPLEX WITH PHOSPHOCHOLINE. STRUCTURE FOLD.DES. V. 7 169 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 1B09 - PC C5 H15 N O4 P C[N+](C)(C....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 1B09 - PC C5 H15 N O4 P C[N+](C)(C....
2 2A3Y ic50 = 3.8 uM CPJ C16 H24 N2 O12 CC1(OCC(CO....
3 4AYU Kd = 18.6 uM N8P C7 H11 N O3 CC(=O)N1CC....
4 2A3W ic50 = 3.8 uM CPJ C16 H24 N2 O12 CC1(OCC(CO....
5 1GYK - CDG C10 H16 O8 C[C@]1(OC[....
6 4AVV Kd = 0.0088 uM GHE C16 H24 N2 O6 C1C[C@@H](....
7 3KQR - OPE C2 H8 N O4 P C(COP(=O)(....
8 2W08 Kd = 380 uM TPO C4 H10 N O6 P C[C@H]([C@....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1B09 - PC C5 H15 N O4 P C[N+](C)(C....
2 2A3Y ic50 = 3.8 uM CPJ C16 H24 N2 O12 CC1(OCC(CO....
3 4AYU Kd = 18.6 uM N8P C7 H11 N O3 CC(=O)N1CC....
4 2A3W ic50 = 3.8 uM CPJ C16 H24 N2 O12 CC1(OCC(CO....
5 1GYK - CDG C10 H16 O8 C[C@]1(OC[....
6 4AVV Kd = 0.0088 uM GHE C16 H24 N2 O6 C1C[C@@H](....
7 3KQR - OPE C2 H8 N O4 P C(COP(=O)(....
8 2W08 Kd = 380 uM TPO C4 H10 N O6 P C[C@H]([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 : 1B09; Ligand: PC; Similar sites found with APoc: 63
This union binding pocket(no: 1) in the query (biounit: 1b09.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 1JCM 137 None
2 4GLW NMN 1.94175
3 3X44 PUS 2.42718
4 1VLJ NAP 2.91262
5 4HKP 16B 2.91262
6 4HKP TKW 2.91262
7 3MI2 PFU 2.91262
8 4D8N 0HM 2.91262
9 2OHH FMN 2.91262
10 5J1J ANP 2.91262
11 5KOR GAL XYS XYS BGC BGC BGC XYS GAL BGC 2.91262
12 2QCD U5P 2.91262
13 4AFH L0B 2.91262
14 3DLS ADP 2.91262
15 2MJP ANP 3.10881
16 5H41 IFM 3.39806
17 5L4L 7OX 3.39806
18 1TYU GLA MAN RAM TYV GLA MAN RAM TYV 3.39806
19 3H0A 9RA 3.39806
20 6B8O PSF 3.5503
21 2WCV FUC 3.57143
22 3G6K FAD 3.8835
23 3B50 SLB 3.8835
24 3FV1 DYH 3.8835
25 5XVG 8FX 3.8835
26 3ORQ ADP 3.8835
27 1DQX BMP 3.8835
28 2XIQ MLC 4.36893
29 1OZH HE3 4.36893
30 3ETH ATP 4.36893
31 3PAK MAN 4.72973
32 4RJK TDL 4.85437
33 4RJK TPP 4.85437
34 4HWT 1B2 4.85437
35 5LXT GTP 5.33981
36 2J3M ATP 5.33981
37 3K37 BCZ 5.33981
38 2WVZ KIF 5.33981
39 3IAE D7K 5.33981
40 2J3M PRI 5.33981
41 1ZAP A70 5.33981
42 1VHD NAP 5.33981
43 5FLJ QUE 5.91398
44 3VPD ANP 6.31068
45 4H3Q ANP 6.31068
46 4JAW GAL NGT 6.79612
47 4BC5 5FX 6.79612
48 2GZ3 NAP 7.28155
49 4OKE AMP 7.7381
50 3ATY FMN 7.76699
51 3QXV MTX 7.93651
52 3ILR SGN 8.73786
53 3ILR SGN IXD 8.73786
54 3ILR IXD 8.73786
55 1EB1 ZAL PRO MMO 8.73786
56 4R9F BMA BMA 9.2233
57 2G50 PYR 9.2233
58 4FAJ LEU VAL THR LEU VAL PHE VAL 9.2233
59 4LRZ ADP 10.1942
60 2IYA ZIO 10.6796
61 4WA4 G39 11.6505
62 1W96 S1A 12.1359
63 1RPJ ALL 12.6214
Pocket No.: 2; Query (leader) PDB : 1B09; Ligand: PC; Similar sites found with APoc: 32
This union binding pocket(no: 2) in the query (biounit: 1b09.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4L1F COS 2.42718
2 3N8K D1X 2.90698
3 5GLN XYP XYP XYP 2.91262
4 5GLN XYS 2.91262
5 4CQ5 TCA 2.91262
6 5A5W GUO 2.91262
7 3LPF Z77 2.91262
8 2GQS C2R 3.39806
9 3OTH CLJ 3.8835
10 5U5G NAP 3.8835
11 1EC9 XYH 3.8835
12 4N02 FNR 4.36893
13 3EYA FAD 5.33981
14 2SIM DAN 5.33981
15 4ELG 52J 5.42169
16 4ELG 52I 5.42169
17 3DER ALA LYS 5.82524
18 6HKE MLT 5.82524
19 6EOZ 58K 5.82524
20 3ALT MLB 6.36943
21 2VHW NAI 6.79612
22 3ZXR P3S 7.28155
23 3ZXR IQ1 7.28155
24 4UX9 ANP 7.28155
25 3WH2 FLC 8.16327
26 2VJ8 HA2 8.25243
27 1LOR BMP 8.73786
28 1O94 AMP 8.73786
29 1GQG DCD 9.2233
30 4YEE 4CQ 11.1111
31 5L01 6Z4 11.6505
32 1TLG GAL 13.6
Pocket No.: 3; Query (leader) PDB : 1B09; Ligand: PC; Similar sites found with APoc: 51
This union binding pocket(no: 3) in the query (biounit: 1b09.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5M1T C2E 2.42718
2 4HWS 1B3 2.91262
3 4UIB GWX 2.91262
4 2Z48 NGA 2.91262
5 4IP7 FLC 2.91262
6 1AFS NAP 3.39806
7 1NHX PEP 3.39806
8 5K0A FAD 3.39806
9 1TKB N1T 3.39806
10 4R3U 3HC 3.8835
11 4R3U 3KK 3.8835
12 5YJF SAH 3.8835
13 5YJF 8WO 3.8835
14 1ZQ5 E04 3.8835
15 1ZQ5 NAP 3.8835
16 5FFF 5XC 3.8835
17 6DWD HDV 4.36893
18 1S16 ANP 4.36893
19 5Y1G AKB 4.36893
20 5D48 L96 4.60526
21 3EYA TDP 5.33981
22 5VJE GOS 5.33981
23 3RYC GTP 5.33981
24 4MOB ADP 5.33981
25 4CPZ ZMR 5.33981
26 3M3E GAL A2G NPO 5.59006
27 2A14 SAH 5.82524
28 5KGS 6SR 5.82524
29 3OIG IMJ 6.31068
30 5CMK GLU 6.31068
31 4MNP SLB 6.31068
32 3KRB NAP 6.31068
33 3VVY ET 6.70103
34 1EKO I84 6.79612
35 5Z1N PEF 7.7381
36 5KJZ PCG 8
37 1Q19 APC 9.2233
38 6G28 AR6 10.6796
39 3HNC TTP 11.6505
40 1NMB NAG NAG BMA MAN MAN MAN MAN 11.9266
41 5WKC FAD 12.6214
42 5YJI 8WO 12.6214
43 5YJI SAH 12.6214
44 3WN0 FUB 13.1068
45 5LIA 6XN 14.5631
46 2A2C NG1 14.5631
47 2A2C ADP 14.5631
48 5JIL 6KL 15.0485
49 1QNF FAD 16.0194
50 1QNF HDF 16.0194
51 5JAX 6J7 17.037
Pocket No.: 4; Query (leader) PDB : 1B09; Ligand: PC; Similar sites found with APoc: 35
This union binding pocket(no: 4) in the query (biounit: 1b09.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 5N2F 8HW None
2 4JK3 NAD 1.45631
3 4QN7 G39 2.42718
4 5UAV NDP 3.39806
5 3CV6 NAP 3.39806
6 3CV6 HXS 3.39806
7 1D6S PLP MET 3.39806
8 1D6S MET PLP 3.39806
9 1XG4 ICT 3.8835
10 3G6K POP 3.8835
11 5OA6 9PT 4.36893
12 5K6A NAP 4.36893
13 4MWV BCZ 4.36893
14 5JDI NAP 4.36893
15 6FL8 ADP 4.85437
16 6FL8 TIY 4.85437
17 4AGS GSH 4.85437
18 2UZ1 TPP 5.33981
19 4U03 TLL 5.33981
20 4U03 GTP 5.33981
21 4A34 FUL 5.44218
22 4QN6 LNV 5.82524
23 6HKE LMR 5.82524
24 2X5F PLP 6.31068
25 1J39 UPG 6.79612
26 1ZBQ NAD 6.79612
27 2VBF TPP 6.79612
28 6BC3 SIS 6.79612
29 6BC3 COA 6.79612
30 4MMP SLB 8.73786
31 3VC3 C6P 9.2233
32 4XDZ NDP 9.2233
33 6C4M NAP 9.70874
34 2VK4 TPP 10.1942
35 5XSS XYP 14.5631
Pocket No.: 5; Query (leader) PDB : 1B09; Ligand: PC; Similar sites found with APoc: 20
This union binding pocket(no: 5) in the query (biounit: 1b09.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1N20 3AG 0.970874
2 2X3J X3J 2.42718
3 4A8T PAO 2.91262
4 2BEK ATP 2.91262
5 5UAV TFB 3.39806
6 2V0C LEU LMS 3.39806
7 6F9Q NAD 3.39806
8 5ULJ 0WD 3.39806
9 2ZUX RAM 3.39806
10 1OPB RET 3.73134
11 1GAR U89 4.36893
12 2D4V NAD 4.36893
13 2IV2 MGD 4.85437
14 5GWT NAD 5.33981
15 2XTS MTE 6.31068
16 6IIL A8F 7.76942
17 1CT9 AMP 9.2233
18 5X7Q GLC GLC GLC BGC 9.70874
19 3ZIU LSS 14.0777
20 1XC6 GAL 15.534
APoc FAQ
Feedback