Receptor
PDB id Resolution Class Description Source Keywords
2OBD 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CHOLESTERYL ESTER TRANSFER PROTEIN HOMO SAPIENS CHOLESTERYL ESTER LIPID TRANSFER PROTEIN LIPID TRANSPORT
Ref.: CRYSTAL STRUCTURE OF CHOLESTERYL ESTER TRANSFER PROTEIN REVEALS A LONG TUNNEL AND FOUR BOUND LIPID MOLECULES. NAT.STRUCT.MOL.BIOL. V. 14 106 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PE A:490;
A:491;
Invalid;
Invalid;
none;
none;
submit data
238.278 C10 H22 O6 C(COC...
2OB A:485;
A:486;
Valid;
Valid;
none;
none;
submit data
651.1 C45 H78 O2 CCCCC...
CL A:493;
Invalid;
none;
submit data
35.453 Cl [Cl-]
EPE A:489;
Invalid;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
NDG NDG FU4 A:481;
Part of Protein;
none;
submit data n/a n/a n/a n/a
PCW A:487;
A:488;
Valid;
Valid;
none;
none;
submit data
787.121 C44 H85 N O8 P CCCCC...
PG4 A:492;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2OBD 2.1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CHOLESTERYL ESTER TRANSFER PROTEIN HOMO SAPIENS CHOLESTERYL ESTER LIPID TRANSFER PROTEIN LIPID TRANSPORT
Ref.: CRYSTAL STRUCTURE OF CHOLESTERYL ESTER TRANSFER PROTEIN REVEALS A LONG TUNNEL AND FOUR BOUND LIPID MOLECULES. NAT.STRUCT.MOL.BIOL. V. 14 106 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2OBD - 2OB C45 H78 O2 CCCCCCCCC=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2OBD - 2OB C45 H78 O2 CCCCCCCCC=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2OBD - 2OB C45 H78 O2 CCCCCCCCC=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2OB; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 2OB 1 1
2 CLL 0.895238 1
3 Y01 0.72381 0.857143
4 CLR 0.560748 0.8
5 HC3 0.473684 0.785714
6 K2B 0.418803 0.864865
Ligand no: 2; Ligand: PCW; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 PCW 1 1
2 PSC 0.884615 1
3 LIO 0.871429 0.981481
4 HGX 0.871429 0.981481
5 PC7 0.871429 0.981481
6 PLD 0.871429 0.981481
7 HGP 0.871429 0.981481
8 6PL 0.871429 0.981481
9 LOP 0.826667 0.79661
10 L9Q 0.826667 0.79661
11 XP5 0.816901 0.981481
12 ZPE 0.782051 0.79661
13 L9R 0.7625 0.925926
14 PCK 0.753086 0.929825
15 PGW 0.746835 0.706897
16 PGV 0.7375 0.706897
17 DR9 0.7375 0.706897
18 P6L 0.728395 0.706897
19 GP7 0.72619 0.79661
20 42H 0.721519 0.964286
21 OZ2 0.719512 0.706897
22 PEV 0.706667 0.779661
23 PEH 0.706667 0.779661
24 PTY 0.706667 0.779661
25 PEF 0.706667 0.779661
26 8PE 0.706667 0.779661
27 9PE 0.697368 0.779661
28 PEK 0.682353 0.79661
29 PEE 0.675325 0.79661
30 B7N 0.670588 0.66129
31 DLP 0.659091 0.925926
32 PCF 0.65 0.907407
33 MC3 0.65 0.907407
34 PC1 0.65 0.907407
35 CD4 0.649351 0.714286
36 EPH 0.634409 0.79661
37 PGT 0.632911 0.689655
38 LHG 0.632911 0.689655
39 PIE 0.625 0.645161
40 P5S 0.617284 0.733333
41 LP3 0.607595 0.946429
42 LAP 0.607595 0.946429
43 LPC 0.607595 0.946429
44 P3A 0.606742 0.706897
45 3PH 0.6 0.714286
46 6PH 0.6 0.714286
47 LPP 0.6 0.714286
48 7PH 0.6 0.714286
49 7P9 0.592105 0.714286
50 PX2 0.592105 0.759259
51 CN3 0.588235 0.714286
52 OPC 0.571429 0.981818
53 CN6 0.564706 0.714286
54 PII 0.564706 0.645161
55 PIZ 0.561798 0.645161
56 PGK 0.555556 0.655738
57 PD7 0.552632 0.714286
58 T7X 0.552083 0.66129
59 PIF 0.551724 0.634921
60 IP9 0.550562 0.645161
61 3PE 0.547619 0.741379
62 44G 0.54321 0.689655
63 CDL 0.542169 0.709091
64 DGG 0.537634 0.655738
65 3XU 0.537634 0.825397
66 M7U 0.535714 0.714286
67 PIO 0.533333 0.634921
68 52N 0.533333 0.634921
69 PSF 0.53012 0.733333
70 S12 0.516854 0.733333
71 NKP 0.512195 0.701754
72 PDK 0.509804 0.765625
73 44E 0.506494 0.714286
74 SPU 0.5 0.819672
75 PC5 0.5 0.810345
76 8ND 0.5 0.603448
77 AGA 0.488636 0.689655
78 3PC 0.477273 0.888889
79 LPE 0.418605 0.892857
80 CN5 0.406593 0.732143
81 NKN 0.402439 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2OBD; Ligand: PCW; Similar sites found: 76
This union binding pocket(no: 1) in the query (biounit: 2obd.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.0004396 0.50406 None
2 4LWU 20U 0.008369 0.42291 None
3 3G58 988 0.004749 0.4435 1.04987
4 3TDC 0EU 0.009645 0.44307 1.2605
5 3HP9 CF1 0.04644 0.40656 1.47059
6 1V6A TRE 0.04427 0.40239 1.50602
7 2WH8 II2 0.01572 0.42129 1.93705
8 2PX6 DH9 0.009321 0.41696 2.21519
9 2VPQ ANP 0.006433 0.4079 2.21729
10 3SHZ 5CO 0.03192 0.40148 2.30548
11 5AHS COA 0.01906 0.40559 2.49377
12 1XMY ROL 0.01614 0.42069 2.51256
13 1W96 S1A 0.0172 0.40111 2.52101
14 1XX4 BAM 0.03148 0.40126 2.68199
15 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.012 0.44611 2.72109
16 3OKI OKI 0.006352 0.41435 3.00429
17 3A16 PXO 0.001504 0.49786 3.21716
18 2GQS C2R 0.007575 0.425 3.37553
19 1SBR VIB 0.03767 0.40532 3.5
20 4MGA 27L 0.01442 0.43755 3.52941
21 4MG8 27J 0.01644 0.4087 3.52941
22 3WFD AXO 0.01464 0.41393 3.55556
23 3L1N PLM 0.03868 0.4047 3.60825
24 3W54 RNB 0.01983 0.40476 3.95137
25 5UC9 MYR 0.01101 0.43791 3.9823
26 2FDW D3G 0.02439 0.41133 3.9916
27 3E3U NVC 0.008062 0.42369 4.06091
28 1TV5 N8E 0.01113 0.44519 4.06321
29 1MUU SUC 0.007512 0.4619 4.12844
30 4HBM 0Y7 0.01737 0.40415 4.16667
31 1Q1Y BB2 0.02151 0.40303 4.18848
32 1Q11 TYE 0.03938 0.40428 4.56989
33 1J78 VDY 0.01042 0.43057 4.58515
34 3K3K A8S 0.00854 0.40864 4.73934
35 3O0W MAN MAN MAN GLC 0.02272 0.40903 4.7619
36 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.01897 0.42686 4.78261
37 2QCX PF1 0.03993 0.40502 4.94297
38 4IA6 EIC 0.03231 0.41188 5.04202
39 4J6C STR 0.03437 0.40353 5.12195
40 1GVE CIT 0.02821 0.41634 5.19878
41 3N7S 3N7 0.003294 0.47549 5.20833
42 3KP6 SAL 0.02367 0.42297 5.29801
43 1G27 BB1 0.01652 0.40192 5.35714
44 2BP1 FLC 0.01683 0.43632 5.55556
45 1JGS SAL 0.0194 0.43385 5.7971
46 1GEG GLC 0.01324 0.43525 5.85938
47 1LQY BB2 0.01225 0.40796 5.97826
48 3ROE THM 0.03143 0.40556 6.41509
49 3GD9 GLC BGC BGC BGC 0.0123 0.41859 6.53951
50 5N53 8NB 0.03224 0.40999 6.66667
51 4I67 G G G RPC 0.01404 0.41967 6.89655
52 3RLF MAL 0.02024 0.41556 7.08661
53 4XCP PLM 0.002712 0.46778 7.64706
54 3QSB 743 0.02043 0.41138 8.19672
55 4FE2 AIR 0.01674 0.41578 8.23529
56 1YRX FMN 0.01092 0.41733 8.26446
57 1W6O LAT 0.0194 0.40616 8.95522
58 1AUA BOG 0.003278 0.46192 9.12162
59 3TL1 JRO 0.01903 0.42126 9.43396
60 1L6O SER LEU LYS LEU MET THR THR VAL 0.01278 0.41046 9.47368
61 4DOO DAO 0.008021 0.41648 9.7561
62 4CT7 TRP 0.03938 0.40992 10.2881
63 2IYG FMN 0.006158 0.43345 10.4839
64 2GJ3 FAD 0.009226 0.40121 10.8333
65 2Y69 CHD 0.04131 0.40576 11.4286
66 1L0I PSR 0.01701 0.42302 11.5385
67 1UO4 PIH 0.005728 0.45002 11.7647
68 5OCA 9QZ 0.006576 0.47002 11.9048
69 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.005227 0.44139 12.381
70 4UCC ZKW 0.02709 0.42523 14.1631
71 4QB6 GCU XYP 0.03175 0.40031 16.4634
72 2E0N SAH 0.01108 0.40998 18.9189
73 2UXI G50 0.007095 0.4155 19.0476
74 1A78 TDG 0.0238 0.41031 21.6418
75 4DR9 BB2 0.0154 0.40662 22.3958
76 4F4S EFO 0.02114 0.41881 44.7368
Pocket No.: 2; Query (leader) PDB : 2OBD; Ligand: 2OB; Similar sites found: 35
This union binding pocket(no: 2) in the query (biounit: 2obd.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3TDC 0EU 0.005349 0.43021 1.2605
2 3HP9 CF1 0.005513 0.47154 1.47059
3 3V1S 0LH 0.04082 0.40527 1.86335
4 3SHZ 5CO 0.03858 0.40261 2.30548
5 1NF8 BOG 0.006723 0.45767 2.89855
6 1RL4 BL5 0.02281 0.41026 2.94118
7 3ZGJ RMN 0.01026 0.43677 2.96496
8 4MGA 27L 0.04514 0.40422 3.52941
9 3L1N PLM 0.03041 0.41578 3.60825
10 3A6T 8OG 0.02695 0.40055 3.87597
11 1TV5 N8E 0.0128 0.43623 4.06321
12 4D4U FUC GAL 0.005068 0.4581 4.44444
13 4D4U FUC NDG GAL FUC 0.02456 0.42316 4.44444
14 3RGA LSB 0.01624 0.41121 4.59364
15 2Q8H TF4 0.0196 0.43357 4.6683
16 3BP1 GUN 0.03935 0.41107 4.82759
17 3N7S 3N7 0.03201 0.42434 5.20833
18 3KP6 SAL 0.02556 0.43177 5.29801
19 3P9T TCL 0.03026 0.40811 5.47945
20 1QFT HSM 0.02519 0.40198 5.71429
21 1JGS SAL 0.004156 0.43817 5.7971
22 1SQ5 PAU 0.03956 0.40951 6.16883
23 2HFK E4H 0.02487 0.42055 6.58307
24 3RLF MAL 0.03112 0.41122 7.08661
25 4DS8 A8S 0.01645 0.41437 7.17703
26 2WG9 OCA 0.04543 0.40621 7.69231
27 1YRX FMN 0.03086 0.40083 8.26446
28 3SAO NKN 0.01904 0.41124 8.75
29 2ET1 GLV 0.04933 0.40499 9.45274
30 2Z77 NCA 0.04448 0.40671 10.7914
31 5OCA 9QZ 0.01209 0.45072 11.9048
32 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.01873 0.41893 12.381
33 1OW4 2AN 0.009233 0.43064 20.155
34 2XN5 FUN 0.01656 0.42169 22.8571
35 4F4S EFO 0.04676 0.40551 44.7368
Pocket No.: 3; Query (leader) PDB : 2OBD; Ligand: PCW; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2obd.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2OBD; Ligand: 2OB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2obd.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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