Receptor
PDB id Resolution Class Description Source Keywords
4R9J 2.1 Å NON-ENZYME: BINDING L-FICOLIN COMPLEXED TO GLUCOSAMINE-6-SULFATE HOMO SAPIENS FIBRINOGEN-LIKE DOMAIN INNATE IMMUNITY PATTERN RECOGNITIONLECTIN IMMUNOLOGY LECTIN-LIKE SUGAR BINDING PROTEIN PLAEXTRACELLULAR
Ref.: HUMAN FICOLIN-2 RECOGNITION VERSATILITY EXTENDED: A ON THE BINDING OF FICOLIN-2 TO SULFATED/PHOSPHATED CARBOHYDRATES. FEBS LETT. V. 588 4694 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT G:303;
A:303;
G:302;
A:302;
G:304;
B:301;
B:303;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
CA G:301;
A:304;
A:301;
B:302;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
3LJ B:305;
B:304;
A:305;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
259.234 C6 H13 N O8 S C([C@...
NAG NAG BMA C:1;
 Invalid;
 none;
 submit data
570.545 n/a O=C(N...
SO4 G:305;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
NAG A:306;
 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
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 552 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 426 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 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: 3LJ; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 3LJ 1 1
2 GLP 0.541667 0.77193
3 4R1 0.541667 0.77193
4 NG6 0.5 0.898305
5 NGS 0.5 0.898305
6 SGN 0.5 0.898305
7 95Z 0.454545 0.636364
8 1GN 0.454545 0.636364
9 GCS 0.454545 0.636364
10 PA1 0.454545 0.636364
11 X6X 0.454545 0.636364
Similar Ligands (3D)
Ligand no: 1; Ligand: 3LJ; Similar ligands found: 302
No: Ligand Similarity coefficient
1 G6P 0.9924
2 BG6 0.9896
3 PLP 0.9631
4 QIF 0.9604
5 D6G 0.9586
6 A6P 0.9579
7 M6P 0.9573
8 PLR 0.9534
9 M6D 0.9505
10 IPD 0.9464
11 PMP 0.9385
12 BGP 0.9346
13 PXP 0.9343
14 F6P 0.9318
15 L21 0.9275
16 NPL 0.9250
17 MP5 0.9250
18 6HP 0.9203
19 PLP PMP 0.9180
20 PZP 0.9180
21 X04 0.9171
22 F1P 0.9168
23 DHC 0.9162
24 9F8 0.9150
25 HSX 0.9133
26 ZIP 0.9129
27 FER 0.9129
28 5WM 0.9116
29 F5C 0.9102
30 TA6 0.9101
31 LIP 0.9101
32 5WN 0.9099
33 SYE 0.9092
34 1VQ 0.9086
35 8MP 0.9065
36 CCV 0.9061
37 GRF 0.9059
38 GT1 0.9050
39 FUZ 0.9036
40 GZV 0.9025
41 GC2 0.9018
42 APS 0.9011
43 KYN 0.9009
44 4WF 0.9007
45 IOS 0.8999
46 IOP 0.8988
47 F1X 0.8986
48 9E3 0.8985
49 EYV 0.8983
50 RP5 0.8977
51 NCV 0.8974
52 TRP 0.8970
53 NPA 0.8966
54 ABF 0.8963
55 M1P 0.8960
56 AMR 0.8956
57 J5B 0.8955
58 I2E 0.8953
59 OSB 0.8947
60 5OO 0.8947
61 A4V 0.8945
62 TMG 0.8944
63 57O 0.8943
64 ONZ 0.8940
65 GPM 0.8939
66 QMS 0.8934
67 FPL 0.8934
68 M3Q 0.8930
69 SBK 0.8926
70 HPT 0.8925
71 STV 0.8922
72 AGP 0.8920
73 FWD 0.8919
74 EBQ 0.8916
75 E9S 0.8915
76 HBI 0.8911
77 NQH 0.8908
78 YF3 0.8902
79 ARP 0.8901
80 PYU 0.8900
81 P2L 0.8898
82 IBC 0.8895
83 MJ5 0.8894
84 H35 0.8892
85 DHY 0.8892
86 CHQ 0.8889
87 ZEA 0.8889
88 9BF 0.8889
89 0FR 0.8887
90 CLU 0.8882
91 STT 0.8881
92 TSR 0.8881
93 G1P 0.8876
94 96Z 0.8875
95 DTE 0.8875
96 61M 0.8874
97 X0T 0.8870
98 MBP 0.8868
99 3D8 0.8868
100 NAG 0.8863
101 MMS 0.8861
102 6DP 0.8860
103 P7Y 0.8857
104 CWD 0.8855
105 P0P 0.8853
106 EXR 0.8853
107 DAH 0.8852
108 8U3 0.8851
109 MD6 0.8850
110 NBV 0.8847
111 FNA 0.8846
112 6J5 0.8844
113 78U 0.8844
114 P80 0.8842
115 2LT 0.8842
116 GO8 0.8841
117 AC2 0.8841
118 CH8 0.8836
119 3B4 0.8834
120 3RI 0.8834
121 CFA 0.8831
122 DG2 0.8830
123 2KU 0.8828
124 NHT 0.8827
125 PW1 0.8826
126 TLG 0.8820
127 JV4 0.8819
128 B41 0.8816
129 7ZL 0.8816
130 O2Y 0.8814
131 DTR 0.8814
132 H4B 0.8813
133 CX4 0.8813
134 1BW 0.8813
135 5WS 0.8810
136 DER 0.8809
137 I4D 0.8809
138 6Q3 0.8808
139 IWD 0.8806
140 ZON 0.8806
141 CUH 0.8804
142 2FX 0.8795
143 2CZ 0.8794
144 CTE 0.8793
145 F34 0.8792
146 RGG 0.8789
147 NBG 0.8788
148 X1P 0.8787
149 HWD 0.8787
150 XFE 0.8784
151 NIY 0.8783
152 TOH 0.8783
153 B5A 0.8780
154 I59 0.8780
155 67Y 0.8779
156 T6Z 0.8778
157 C9E 0.8778
158 IAC 0.8777
159 GFP 0.8776
160 EYJ 0.8774
161 16G 0.8774
162 TL6 0.8773
163 Q5M 0.8772
164 3Y7 0.8770
165 790 0.8768
166 EGR 0.8766
167 Q9P 0.8765
168 4Z9 0.8763
169 7MX 0.8762
170 1PS 0.8761
171 QUB 0.8761
172 XQI 0.8760
173 CUT 0.8759
174 C4E 0.8758
175 M5H 0.8758
176 YOF 0.8754
177 3IL 0.8753
178 EUH 0.8752
179 JOV 0.8752
180 GP1 0.8752
181 NB1 0.8750
182 EYY 0.8749
183 UQ1 0.8749
184 PA5 0.8748
185 CR1 0.8747
186 DEG 0.8744
187 NOK 0.8744
188 ITW 0.8742
189 LTN 0.8742
190 NTF 0.8739
191 JVA 0.8737
192 TOM 0.8737
193 2HC 0.8735
194 NFM 0.8733
195 293 0.8733
196 XDE 0.8732
197 MQG 0.8730
198 MXD 0.8728
199 M7P 0.8727
200 MQB 0.8727
201 TLM 0.8726
202 GL1 0.8723
203 D1Y 0.8722
204 4KR 0.8722
205 12R 0.8719
206 F06 0.8711
207 5OF 0.8710
208 TZP 0.8710
209 657 0.8709
210 GC3 0.8707
211 S7G 0.8700
212 TZM 0.8699
213 YO5 0.8699
214 0QW 0.8697
215 CPW 0.8694
216 BY5 0.8692
217 MUX 0.8692
218 S24 0.8691
219 1QP 0.8690
220 MW5 0.8689
221 CC5 0.8689
222 TNX 0.8686
223 5RP 0.8683
224 BGN 0.8682
225 DBS 0.8682
226 3DT 0.8681
227 6J9 0.8680
228 KG1 0.8678
229 505 0.8678
230 4Z1 0.8675
231 PAU 0.8674
232 R1P 0.8674
233 QH3 0.8674
234 4BX 0.8671
235 UAY 0.8671
236 RVE 0.8670
237 MPP 0.8669
238 GI1 0.8668
239 MES 0.8667
240 SLY 0.8664
241 RP3 0.8661
242 F6R 0.8661
243 E9P 0.8659
244 ALE 0.8659
245 GI4 0.8656
246 9KH 0.8656
247 S0I 0.8654
248 BC3 0.8654
249 54F 0.8652
250 NGT 0.8652
251 5JT 0.8650
252 M02 0.8649
253 SRO 0.8649
254 A6H 0.8648
255 ZIQ 0.8645
256 SG6 0.8645
257 AZY 0.8645
258 YIP 0.8644
259 3M8 0.8643
260 K3Q 0.8641
261 N88 0.8637
262 JF2 0.8636
263 CGW 0.8635
264 NVU 0.8634
265 IYR 0.8631
266 HHV 0.8631
267 MUK 0.8629
268 B21 0.8627
269 R5P 0.8626
270 YX1 0.8626
271 ZYV 0.8625
272 B61 0.8620
273 4GP 0.8617
274 YTX 0.8614
275 3D1 0.8611
276 SJK 0.8606
277 9GP 0.8604
278 CKU 0.8602
279 LVD 0.8598
280 ET0 0.8597
281 LQG 0.8595
282 DDU 0.8594
283 3L1 0.8591
284 EQA 0.8590
285 S3C 0.8589
286 DI6 0.8583
287 ARG 0.8580
288 1X4 0.8574
289 327 0.8561
290 DCN 0.8560
291 XIF XYP 0.8557
292 HX8 0.8556
293 HXY 0.8548
294 9VQ 0.8545
295 XYP XIF 0.8544
296 IBM 0.8544
297 LAH 0.8528
298 C82 0.8525
299 BZM 0.8524
300 BM3 0.8522
301 NLA 0.8516
302 NGW 0.8510
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: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4nyt.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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