Receptor
PDB id Resolution Class Description Source Keywords
1EWF 1.7 Å NON-ENZYME: OTHER THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI HOMO SAPIENS BACTERICIDAL PERMEABILITY-INCREASING LIPID-BINDING LIPOPOLYSACCHARIDE-BINDING ANTIBIOTIC
Ref.: THE 1.7 A CRYSTAL STRUCTURE OF BPI: A STUDY OF HOW DISSIMILAR AMINO ACID SEQUENCES CAN ADOPT THE SAME J.MOL.BIOL. V. 299 1019 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PC1 A:577;
A:578;
Valid;
Valid;
none;
none;
submit data
790.145 C44 H88 N O8 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EWF 1.7 Å NON-ENZYME: OTHER THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI HOMO SAPIENS BACTERICIDAL PERMEABILITY-INCREASING LIPID-BINDING LIPOPOLYSACCHARIDE-BINDING ANTIBIOTIC
Ref.: THE 1.7 A CRYSTAL STRUCTURE OF BPI: A STUDY OF HOW DISSIMILAR AMINO ACID SEQUENCES CAN ADOPT THE SAME J.MOL.BIOL. V. 299 1019 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 1EWF - PC1 C44 H88 N O8 P CCCCCCCCCC....
2 1BP1 - PC1 C44 H88 N O8 P CCCCCCCCCC....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 1EWF - PC1 C44 H88 N O8 P CCCCCCCCCC....
2 1BP1 - PC1 C44 H88 N O8 P CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 1EWF - PC1 C44 H88 N O8 P CCCCCCCCCC....
2 1BP1 - PC1 C44 H88 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PC1; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 PCF 1 1
2 PC1 1 1
3 MC3 1 1
4 L9R 0.873239 0.98
5 DLP 0.769231 0.98
6 3PE 0.768116 0.811321
7 HGP 0.732394 0.924528
8 LIO 0.732394 0.924528
9 PC7 0.732394 0.924528
10 PLD 0.732394 0.924528
11 HGX 0.732394 0.924528
12 6PL 0.732394 0.924528
13 CDL 0.714286 0.745098
14 XP5 0.680556 0.924528
15 PX2 0.661765 0.730769
16 PCW 0.65 0.907407
17 AGA 0.64 0.690909
18 PCK 0.634146 0.875
19 6PH 0.623188 0.685185
20 7PH 0.623188 0.685185
21 3PH 0.623188 0.685185
22 LPP 0.623188 0.685185
23 7P9 0.614286 0.685185
24 PEF 0.6 0.724138
25 PEH 0.6 0.724138
26 PEV 0.6 0.724138
27 PTY 0.6 0.724138
28 8PE 0.6 0.724138
29 PSC 0.597701 0.907407
30 9PE 0.592105 0.724138
31 P3A 0.588235 0.678571
32 PD7 0.571429 0.685185
33 PEE 0.571429 0.741379
34 CD4 0.565789 0.685185
35 3PC 0.564103 0.979592
36 8ND 0.555556 0.62963
37 PIE 0.551724 0.644068
38 PFS 0.551282 1
39 PGT 0.551282 0.660714
40 M7U 0.551282 0.685185
41 LHG 0.551282 0.660714
42 P5S 0.5375 0.706897
43 L9Q 0.535714 0.711864
44 LOP 0.535714 0.711864
45 PC5 0.532468 0.886792
46 LP3 0.525641 0.890909
47 LAP 0.525641 0.890909
48 LPC 0.525641 0.890909
49 PII 0.52439 0.616667
50 PIZ 0.523256 0.616667
51 44E 0.521127 0.685185
52 CN3 0.511905 0.685185
53 PIF 0.511905 0.606557
54 IP9 0.511628 0.616667
55 ZPE 0.505747 0.711864
56 GP7 0.505495 0.711864
57 PGW 0.494253 0.649123
58 52N 0.494253 0.606557
59 PIO 0.494253 0.606557
60 DR9 0.488636 0.649123
61 PGV 0.488636 0.649123
62 CN6 0.488095 0.685185
63 PEK 0.483516 0.711864
64 PGK 0.483146 0.627119
65 P6L 0.483146 0.649123
66 OZ2 0.477778 0.649123
67 B7N 0.472527 0.606557
68 42H 0.471264 0.875
69 P42 0.470588 0.87037
70 DPV 0.470588 0.877551
71 DGG 0.467391 0.627119
72 44G 0.4625 0.660714
73 PGM 0.461538 0.672727
74 PSF 0.451219 0.706897
75 EPH 0.44 0.711864
76 PDK 0.431373 0.714286
77 T7X 0.424242 0.606557
78 OCB 0.413333 0.788462
79 NKN 0.407895 0.654545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EWF; Ligand: PC1; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ewf.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1EWF; Ligand: PC1; Similar sites found: 106
This union binding pocket(no: 2) in the query (biounit: 1ewf.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TDC 0EU 0.0001075 0.55971 1.53509
2 4RW3 SHV 0.01385 0.45909 1.65563
3 4RW3 IPD 0.03252 0.41402 1.65563
4 3GGF GVD 0.02412 0.41004 1.66113
5 2WA4 069 0.003651 0.45529 1.7192
6 3AVR OGA 0.01458 0.43901 1.75439
7 4RSE A6V 0.01968 0.41112 1.97368
8 1Y9Q MED 0.01989 0.42704 2.08333
9 1K7L 544 0.005899 0.41135 2.08333
10 2IOR ADP 0.03272 0.41785 2.12766
11 3W54 RNB 0.01506 0.41352 2.12766
12 2NPA MMB 0.004177 0.42965 2.22222
13 2WPW ACO 0.007496 0.43161 2.35988
14 5U9J GER 0.01105 0.43919 2.36686
15 3TL1 JRO 0.04164 0.41204 2.51572
16 4YGF AZM 0.01434 0.41139 2.5641
17 2DKD NG1 0.03166 0.41465 2.85088
18 1J78 VDY 0.04626 0.40572 2.85088
19 3HYW DCQ 0.0298 0.41657 3.02326
20 5LOF MAL 0.02518 0.41614 3.07018
21 4IFP MAL 0.03773 0.41053 3.07018
22 1X8X TYR 0.01972 0.42171 3.10559
23 3OGN 3OG 0.01202 0.41821 3.22581
24 4DK7 0KS 0.02325 0.40151 3.23887
25 4UDB CV7 0.004574 0.41877 3.30882
26 4A91 GLU 0.03815 0.41095 3.3557
27 3JZ0 CLY 0.01553 0.4365 3.48432
28 5HCV 60R 0.01091 0.41385 3.50195
29 5AAV GW5 0.0008771 0.42407 3.57143
30 1VQ2 DDN 0.02831 0.40035 3.62694
31 2QE4 JJ3 0.003378 0.40065 3.62903
32 1EPB REA 0.005727 0.43731 3.65854
33 4EIL FOL 0.023 0.4047 3.72807
34 1NRL SRL 0.004262 0.43258 3.79747
35 1DZK PRZ 0.01111 0.42328 3.82166
36 3RGA LSB 0.03156 0.40104 3.88693
37 3I6B KDO 0.02069 0.42883 3.88889
38 4MGD 27N 0.002052 0.46337 3.92157
39 4MG8 27J 0.005467 0.44222 3.92157
40 1TV5 N8E 0.02148 0.42793 3.94737
41 3SLS ANP 0.01728 0.40185 3.94737
42 3UUA 0CZ 0.008193 0.44164 3.98406
43 3UU7 2OH 0.04283 0.41136 3.98406
44 4O1Z MXM 0.007969 0.41703 4.04218
45 3GC8 B45 0.01813 0.40091 4.05405
46 3T2W BTN 0.01648 0.4258 4.09836
47 2WU6 DKI 0.007166 0.4161 4.46194
48 4Q9M 2ZW 0.02074 0.401 4.47154
49 1POC GEL 0.02177 0.40584 4.47761
50 2E2R 2OH 0.0006502 0.40287 4.5082
51 4OKD GLC GLC GLC 0.03987 0.41992 4.60526
52 4N14 WR7 0.01414 0.41631 4.77707
53 3IA4 MTX 0.03635 0.40107 4.93827
54 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.03603 0.42261 5.10204
55 1QFT HSM 0.0179 0.40993 5.14286
56 3OKI OKI 0.009837 0.41592 5.15021
57 5AHS COA 0.02464 0.40633 5.23691
58 3WDX BGC BGC GLC 0.01347 0.40964 5.7047
59 4I67 G G G RPC 0.01383 0.42978 5.74713
60 5E89 TD2 0.01862 0.4123 5.7554
61 1W6P NDG GAL 0.005886 0.4565 5.97015
62 5F2T PLM 0.009755 0.41608 6.14035
63 2GKL PD2 0.03819 0.4032 6.1674
64 4OAS 2SW 0.01243 0.42444 6.25
65 1FBY REA 0.002463 0.43334 6.27615
66 4INW 1EY 0.01799 0.40982 6.42857
67 1TMX HGX 0.01361 0.40655 6.48464
68 1YRX FMN 0.03052 0.4049 6.61157
69 5A61 3PO 0.03112 0.40779 6.89655
70 2X24 X24 0.02215 0.4025 7.01754
71 1OLM VTQ 0.00008473 0.41122 7.19603
72 3RY9 1CA 0.002681 0.4493 7.2
73 3TTI KBI 0.008521 0.40214 7.23684
74 1NF8 BOG 0.0009547 0.50729 7.24638
75 4B1X LAB 0.03454 0.41261 7.71277
76 4IBF 1D5 0.02287 0.4112 7.75194
77 5C3R AKG 0.02639 0.40486 7.87172
78 5C3R HMU 0.02639 0.40486 7.87172
79 2AGC DAO 0.006642 0.45097 8.02469
80 2ZHL NAG GAL GAL NAG 0.03208 0.40711 8.78378
81 4I9A NCN 0.02224 0.4054 9.02778
82 3WBG 2AN 0.02059 0.41016 9.15033
83 4BCN T9N 0.02949 0.40899 9.33333
84 3QIN P1Y 0.03697 0.40204 9.33333
85 4J26 EST 0.01915 0.41862 9.58333
86 1HKK NAA NAA AMI 0.01034 0.40112 9.64912
87 5LX9 OLB 0.001526 0.46976 10.0977
88 1M2Z DEX 0.005129 0.4289 10.5058
89 4NZ6 DLY 0.02225 0.42401 10.5431
90 1ULE GLA GAL NAG 0.01403 0.42443 10.6667
91 4P6W MOF 0.004067 0.42697 11.1111
92 4E2J MOF 0.002415 0.43695 11.2
93 3GN8 DEX 0.005262 0.42839 11.245
94 5UFS 1TA 0.003751 0.42852 11.2903
95 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.04731 0.40168 11.4286
96 4LWU 20U 0.03361 0.40279 11.7647
97 4EJ1 FOL 0.01975 0.41105 14.1791
98 3AJH BL3 0.0298 0.40227 14.5161
99 5TVM PUT 0.04599 0.40232 15.2941
100 2FR3 REA 0.01216 0.41475 15.3285
101 4B9K TG0 0.03376 0.41314 17.5439
102 5HZ5 65X 0.01244 0.40282 17.9104
103 4W9H 3JF 0.0275 0.41413 18.5185
104 2XCM ADP 0.01734 0.41723 19.5652
105 2Y7P SAL 0.03421 0.41678 21.5596
106 1GT6 OLA 0.029 0.40601 24.1636
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