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Receptor
PDB id Resolution Class Description Source Keywords
1H8P 1.82 Å NON-ENZYME: BINDING BULL SEMINAL PLASMA PDC-109 FIBRONECTIN TYPE II MODULE BOS TAURUS PHOSPHORYLCHOLINE-BINDING PROTEIN
Ref.: SPERM COATING MECHANISM FROM THE 1.8 A CRYSTAL STRUCTURE OF PDC-109-PHOSPHORYLCHOLINE COMPLEX STRUCTURE V. 10 505 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PC A:1110;
A:1111;
B:1110;
B:1111;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
184.151 C5 H15 N O4 P C[N+]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H8P 1.82 Å NON-ENZYME: BINDING BULL SEMINAL PLASMA PDC-109 FIBRONECTIN TYPE II MODULE BOS TAURUS PHOSPHORYLCHOLINE-BINDING PROTEIN
Ref.: SPERM COATING MECHANISM FROM THE 1.8 A CRYSTAL STRUCTURE OF PDC-109-PHOSPHORYLCHOLINE COMPLEX STRUCTURE V. 10 505 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1H8P - PC C5 H15 N O4 P C[N+](C)(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 1H8P - PC C5 H15 N O4 P C[N+](C)(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1H8P - PC C5 H15 N O4 P C[N+](C)(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 : 1H8P; Ligand: PC; Similar sites found with APoc: 191
This union binding pocket(no: 1) in the query (biounit: 1h8p.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1USF NAP None
2 1USF FMN None
3 5X40 ACP None
4 1J5P NAD None
5 4YHQ G10 None
6 2BGS NDP None
7 3NWQ 2NC None
8 2P3C 3TL None
9 1SIV PSI None
10 1U7T TDT None
11 1YBU APC None
12 3KA2 2NC None
13 4TR1 GSH None
14 2VBU CDP None
15 3FSM 2NC None
16 4ZSI GLP None
17 1UAY ADN None
18 3VCY UD1 None
19 2W68 SIA GAL BGC None
20 3MWS 017 None
21 1AV5 AP2 None
22 2FXD DR7 None
23 4TXJ THM 1.83486
24 3T7S SAM 1.83486
25 3GXO SAH 1.83486
26 6GAS FAD 1.83486
27 3U7S 017 2.0202
28 4M8X KGQ 2.0202
29 6GNA FAD 2.75229
30 1Z4O GL1 2.75229
31 4RDI ATP 2.75229
32 2CXG GLC G6D ACI GLC 2.75229
33 2QZX IVA VAL VAL STA ALA STA 2.75229
34 1H5T DAU 2.75229
35 3WRB GDE 2.75229
36 1BXG NAD 2.75229
37 3CV6 HXS 3.66972
38 3CV6 NAP 3.66972
39 4M52 FAD 3.66972
40 3M6P BB2 3.66972
41 5OE4 3UK 3.66972
42 1I8T FAD 3.66972
43 2EXX NAP 3.66972
44 4M52 M52 3.66972
45 5G3U FDA 3.66972
46 1D0L BLG 3.66972
47 4UUU SAM 3.66972
48 5ZBC FAD 3.66972
49 4RVU NDP 3.66972
50 5UCD NAP 3.66972
51 1V5Y FMN 3.66972
52 1VP5 NAP 4.58716
53 1R6D NAD 4.58716
54 1R6D DAU 4.58716
55 5DF1 NAP 4.58716
56 5DF1 58X 4.58716
57 5TWB FAD 4.58716
58 1W0O SIA 4.58716
59 3QT6 2P0 4.58716
60 1ZUA TOL 4.58716
61 1ZUA NAP 4.58716
62 1EZ0 NAP 4.58716
63 2XB8 XNW 4.58716
64 3PT9 SAH 4.58716
65 1F8Y 5MD 4.58716
66 3T3C 017 5.05051
67 1NYT NAP 5.50459
68 5N9X 8QN 5.50459
69 3WCZ NAP 5.50459
70 3UMV FAD 5.50459
71 3EEB IHP 5.50459
72 5N9X ATP 5.50459
73 1N9G NAP 5.50459
74 4WAS NAP 5.50459
75 3MZS HC9 5.50459
76 5KF6 TFB 5.50459
77 5KF6 FAD 5.50459
78 2NP9 YE1 5.50459
79 2WOX NDP 5.50459
80 4IKR PVP 5.50459
81 4ZL4 4PK 5.50459
82 1R9J TPP 5.50459
83 5EEH SAH 5.50459
84 3UZO PLP 5.50459
85 3UZO GLU 5.50459
86 3N9Y CLR 5.50459
87 5AZ1 NDP 6.42202
88 4PO2 ASN ARG LEU LEU LEU THR GLY 6.42202
89 4K26 SFF 6.42202
90 4K26 NDP 6.42202
91 1QSC ACE TYR PRO ILE GLN GLU THR 6.42202
92 4V24 GYR 6.42202
93 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 6.42202
94 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY 6.42202
95 1FQ5 0GM 6.42202
96 3NKS FAD 6.42202
97 3ICS FAD 6.42202
98 4IJR NDP 6.42202
99 1AFS NAP 6.42202
100 4GJ3 0XP 6.42202
101 5GVL GI8 6.42202
102 5GVL PLG 6.42202
103 1GKZ ADP 6.42202
104 4O67 1SY 6.42202
105 1HKU NAD 6.42202
106 5BSR AMP 6.42202
107 3SWG EPZ 7.33945
108 1M9H NAD 7.33945
109 1FP1 SAH 7.33945
110 1VCO GLN 7.33945
111 1MDB AMP DBH 7.33945
112 1H82 GZZ 7.33945
113 3H7U NAP 7.33945
114 3H7R NAP 7.33945
115 1M32 PLP 7.33945
116 3QH2 3NM 7.33945
117 1T57 FMN 7.33945
118 1VBJ NAP 7.33945
119 2P3B 3TL 8.08081
120 5UXH GFB 8.25688
121 5KXQ GDP 8.25688
122 2IID FAD 8.25688
123 6IS0 SAH 8.25688
124 2Y4O DLL 8.25688
125 5KY3 GFB 8.25688
126 1QS8 IVA VAL VAL STA ALA STA 8.25688
127 1WTC ACP 8.25688
128 5KY5 GDP 8.25688
129 3NA0 2DC 8.82353
130 1CEB AMH 9.09091
131 4HK8 XYP XYP XYP XYP XYP XYP 9.17431
132 1S17 GNR 9.17431
133 2YI0 YI0 9.17431
134 3TKY SAH 9.17431
135 2IVD FAD 9.17431
136 1L2T ATP 9.17431
137 3B9O FMN 9.17431
138 4FMU 0UM 9.17431
139 1IYB 5GP 9.17431
140 2WFG ZZB 9.17431
141 3I53 SAH 9.17431
142 3BXO SAM 9.17431
143 1RE8 BD2 9.17431
144 4Q5M ROC 10.0917
145 3CW9 AMP 10.0917
146 5FOM A2H 10.0917
147 1Q0S SAH 10.0917
148 5KMS FAD 10.0917
149 4NJS G08 10.101
150 4REI 3MV 11.0092
151 3RLF ANP 11.0092
152 4R81 FMN 11.0092
153 5WM2 SAL 11.0092
154 5KY9 GDP 12.5
155 3NB0 G6P 12.844
156 3KRB NAP 12.844
157 1N62 FAD 12.844
158 5L0U 660 12.844
159 5NMX FAD 12.844
160 6EGU 43Y 12.844
161 2WZM NA7 12.844
162 2O4N TPV 13.7615
163 4EU7 CIT 13.7615
164 4EU7 COA 13.7615
165 2Z9C FMN 13.7615
166 2Z9C DTC 13.7615
167 1P77 ATR 13.7615
168 2CJF RP4 13.7615
169 4ADC PLP 13.7615
170 1EKO I84 14.6789
171 1EKO NAP 14.6789
172 5JLB SAH 14.6789
173 5V22 SAH 14.6789
174 5T2Z 017 15.1515
175 4WOE 3S5 15.5963
176 4C1Q SAH 15.5963
177 5TZ1 VT1 15.5963
178 4II2 ATP 15.5963
179 5Y72 DST 15.5963
180 1CS4 FOK 16.5138
181 1CS4 101 16.5138
182 4L8F MTX 16.5138
183 3PE2 E1B 17.4312
184 1HK8 DGT 17.4312
185 1FRB ZST 18.3486
186 1VD3 U2P 20.1835
187 5G5G FAD 20.1835
188 1FDJ 2FP 21.1009
189 1KEW TYD 22.9358
190 1KEW NAD 22.9358
191 5ZI9 FLC 22.9358
Pocket No.: 2; Query (leader) PDB : 1H8P; Ligand: PC; 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: 1h8p.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1H8P; Ligand: PC; Similar sites found with APoc: 36
This union binding pocket(no: 3) in the query (biounit: 1h8p.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4NU0 AP5 None
2 4JEM C5P 1.83486
3 5THZ SAH 2.75229
4 1AKY AP5 3.66972
5 6EJI UD2 3.66972
6 4LRZ ADP 3.66972
7 3EBL GA4 4.58716
8 1M2K APR 4.58716
9 4Y30 49L 5.50459
10 6HOY TSN 5.50459
11 2CDN ADP 5.50459
12 5YAK FMN 5.50459
13 3VC1 SAH 5.50459
14 4PQG UDP 6.42202
15 4QYS PLP SEP 6.42202
16 2BO4 FLC 6.42202
17 4R84 CSF 7.33945
18 2ZSH GA3 7.33945
19 5GLN XYS 8.25688
20 3A76 SPD 8.25688
21 5GLN XYP XYP XYP 8.25688
22 3V78 ET 8.25688
23 1G72 PQQ 10.0917
24 3CIF G3H 10.0917
25 4NV7 COA 10.0917
26 1SO2 666 10.0917
27 4CTA ATP 11.0092
28 3FDZ DG2 11.0092
29 5ODQ 9SB 12.844
30 4OYA 1VE 12.844
31 2F6U CIT 12.844
32 3FB4 AP5 14.6789
33 5UY8 AMZ 14.6789
34 4X8O AP5 14.6789
35 2Q89 6CS 16.5138
36 1LRW PQQ 16.8675
Pocket No.: 4; Query (leader) PDB : 1H8P; Ligand: PC; 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: 1h8p.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1H8P; Ligand: PC; Similar sites found with APoc: 3
This union binding pocket(no: 5) in the query (biounit: 1h8p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 3DR4 G4M 3.66972
2 4RQU NAD 5.50459
3 1D1T NAD 11.0092
Pocket No.: 6; Query (leader) PDB : 1H8P; Ligand: PC; 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: 1h8p.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1H8P; Ligand: PC; 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: 1h8p.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1H8P; Ligand: PC; 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: 1h8p.bio1) has 2 residues
No: Leader PDB Ligand Sequence Similarity
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