Receptor
PDB id Resolution Class Description Source Keywords
4RHP 2.39 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN COQ9 IN COMPLEX WITH A PHOSPHOLIP NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET HR5043 HOMO SAPIENS STRUCTURAL GENOMICS PSI-BIOLOGY NORTHEAST STRUCTURAL GENOMCONSORTIUM NESG ALL ALPHA-HELICAL PROTEIN UBIQUINONE BIOSYNTHESIS MITOCHONDRIAL MITOCHONDRIAL PROTEIN PARTNERSBIOSYNTHETIC PROTEIN
Ref.: MITOCHONDRIAL COQ9 IS A LIPID-BINDING PROTEIN THAT ASSOCIATES WITH COQ7 TO ENABLE COENZYME Q BIOSYNTHE PROC.NATL.ACAD.SCI.USA V. 111 E4697 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEF A:401;
Valid;
none;
submit data
691.959 C37 H74 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RHP 2.39 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN COQ9 IN COMPLEX WITH A PHOSPHOLIP NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET HR5043 HOMO SAPIENS STRUCTURAL GENOMICS PSI-BIOLOGY NORTHEAST STRUCTURAL GENOMCONSORTIUM NESG ALL ALPHA-HELICAL PROTEIN UBIQUINONE BIOSYNTHESIS MITOCHONDRIAL MITOCHONDRIAL PROTEIN PARTNERSBIOSYNTHETIC PROTEIN
Ref.: MITOCHONDRIAL COQ9 IS A LIPID-BINDING PROTEIN THAT ASSOCIATES WITH COQ7 TO ENABLE COENZYME Q BIOSYNTHE PROC.NATL.ACAD.SCI.USA V. 111 E4697 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4RHP - PEF C37 H74 N O8 P CCCCCCCCCC....
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 4RHP - PEF C37 H74 N O8 P CCCCCCCCCC....
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 4RHP - PEF C37 H74 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PEF; Similar ligands found: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 PEV 1 1
2 PEF 1 1
3 8PE 1 1
4 PTY 1 1
5 PEH 1 1
6 9PE 0.983051 1
7 L9Q 0.865672 0.980769
8 LOP 0.865672 0.980769
9 ZPE 0.814286 0.980769
10 HGX 0.80303 0.793103
11 PLD 0.80303 0.793103
12 LIO 0.80303 0.793103
13 HGP 0.80303 0.793103
14 6PL 0.80303 0.793103
15 PC7 0.80303 0.793103
16 PEE 0.8 0.980769
17 GP7 0.773333 0.980769
18 PEK 0.77027 0.980769
19 CD4 0.769231 0.823529
20 P5S 0.75 0.90566
21 LHG 0.746269 0.826923
22 XP5 0.746269 0.793103
23 PGT 0.746269 0.826923
24 3PH 0.714286 0.788462
25 LPP 0.714286 0.788462
26 6PH 0.714286 0.788462
27 7PH 0.714286 0.788462
28 PCW 0.706667 0.779661
29 PX2 0.703125 0.769231
30 7P9 0.703125 0.788462
31 PCK 0.688312 0.754098
32 CN3 0.684932 0.823529
33 PGW 0.657895 0.811321
34 CN6 0.657534 0.823529
35 PII 0.657534 0.706897
36 PD7 0.65625 0.788462
37 PGV 0.649351 0.811321
38 DR9 0.649351 0.811321
39 EPH 0.647059 0.980769
40 PSC 0.646341 0.779661
41 PSF 0.642857 0.90566
42 P6L 0.641026 0.811321
43 PGK 0.641026 0.781818
44 44G 0.637681 0.826923
45 8ND 0.636364 0.730769
46 CDL 0.633803 0.75
47 OZ2 0.632911 0.811321
48 M7U 0.625 0.788462
49 PIF 0.618421 0.694915
50 DGG 0.617284 0.781818
51 3PE 0.616438 0.884615
52 PIZ 0.607595 0.706897
53 MC3 0.6 0.724138
54 44E 0.6 0.788462
55 PC1 0.6 0.724138
56 PCF 0.6 0.724138
57 52N 0.594937 0.694915
58 IP9 0.594937 0.706897
59 PIO 0.594937 0.694915
60 B7N 0.585366 0.694915
61 PDK 0.577778 0.833333
62 AGA 0.565789 0.792453
63 DGA 0.553846 0.607843
64 DDR 0.553846 0.607843
65 L2C 0.553846 0.607843
66 PIE 0.541176 0.65
67 T7X 0.539326 0.694915
68 L9R 0.535714 0.711864
69 LAP 0.533333 0.827586
70 LP3 0.533333 0.827586
71 LPC 0.533333 0.827586
72 P3A 0.523256 0.777778
73 NKN 0.492754 0.788462
74 42H 0.47619 0.813559
75 DLP 0.472527 0.711864
76 CN5 0.468354 0.843137
77 S12 0.447059 0.87037
78 PC5 0.443038 0.645161
79 NKP 0.435897 0.773585
80 3PC 0.421687 0.706897
81 GEL 0.421687 0.942308
82 PCJ 0.413793 0.672414
83 PGM 0.410256 0.773585
84 DB4 0.407407 0.644068
85 PBU 0.404762 0.644068
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RHP; Ligand: PEF; Similar sites found: 70
This union binding pocket(no: 1) in the query (biounit: 4rhp.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CHR 4NC 0.000391 0.49246 None
2 4AIG FLX 0.004024 0.42683 None
3 4F4S EFO 0.0142 0.40929 None
4 3U1T MLI 0.01715 0.40831 None
5 4TV1 36M 0.01744 0.40477 None
6 1SBR VIB 0.02158 0.40009 1
7 3E3U NVC 0.003764 0.41927 1.01523
8 1GEG GLC 0.003289 0.45672 1.2766
9 4UCC ZKW 0.002066 0.45833 1.28755
10 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.01957 0.40735 1.30435
11 3B9Z CO2 0.02655 0.42354 1.70213
12 2AEL SAZ 0.001741 0.41546 1.70213
13 2O1O RIS 0.002013 0.45487 2.12766
14 1ZPD CIT 0.0182 0.41706 2.12766
15 4I90 CHT 0.01324 0.41161 2.12766
16 4QEK GLC 0.003349 0.44309 2.55319
17 1I0B PEL 0.006487 0.44176 2.55319
18 5KD8 TNR 0.01764 0.40453 2.55319
19 4DR9 BB2 0.006277 0.40531 2.60417
20 4BAE RWX 0.01291 0.40264 2.92683
21 2HHP FLC 0.003379 0.46163 2.97872
22 5HCN DAO 0.006873 0.42519 2.97872
23 4RW3 TDA 0.01037 0.41074 3.40426
24 2YIV YIV 0.03036 0.40678 3.40426
25 4A7W GTP 0.02865 0.40006 3.40426
26 5UGW GSH 0.00337 0.40552 3.42857
27 1JGS SAL 0.001394 0.4544 3.62319
28 2IDO TMP 0.01832 0.40599 3.76344
29 3G5K BB2 0.00673 0.40397 3.82514
30 5V3Y 5V8 0.002714 0.43498 3.82979
31 1J78 VDY 0.00435 0.43003 3.82979
32 2Q8H TF4 0.009211 0.42104 3.82979
33 3WCA FPS 0.0002251 0.40999 3.82979
34 2JC9 ADN 0.003192 0.44194 4.25532
35 2VSU V55 0.008447 0.41591 4.25532
36 3G58 988 0.001231 0.45134 5.10638
37 1XMY ROL 0.00201 0.44643 5.10638
38 1XM4 PIL 0.005736 0.41509 5.10638
39 1XMU ROF 0.005562 0.41157 5.10638
40 5LWY OLA 0.003497 0.40296 5.10638
41 2GBB CIT 0.01271 0.4072 5.12821
42 1TV5 N8E 0.01504 0.42049 5.53191
43 2PX6 DH9 0.005956 0.40632 5.53191
44 4JX1 CAH 0.009097 0.40258 5.53191
45 1YRO UDP 0.0169 0.40514 5.95745
46 1UUY PPI 0.00009641 0.45151 5.98802
47 3CV2 COA 0.01671 0.41619 6.38298
48 3P5P A3C 0.001897 0.40475 6.38298
49 5C1M OLC 0.006952 0.44048 6.4
50 5C1M CLR 0.01382 0.41361 6.4
51 1ZGA HMK 0.005503 0.41594 6.80851
52 2YOO K2B 0.00383 0.40288 6.80851
53 3HP9 CF1 0.02836 0.40126 6.80851
54 5OCA 9QZ 0.002987 0.46165 7.23404
55 2UW1 GVM 0.01001 0.41997 7.65957
56 1Q1Y BB2 0.006284 0.40916 7.8534
57 4DXJ 0M9 0.003045 0.43852 8.08511
58 4DXJ IPE 0.003894 0.43619 8.08511
59 3TL1 JRO 0.004991 0.43218 8.1761
60 2Y69 CHD 0.006057 0.42999 8.75
61 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.005905 0.41888 9.52381
62 3N7S 3N7 0.01208 0.42587 9.56522
63 1WS1 BB2 0.003765 0.41517 9.61539
64 3RLF MAL 0.01622 0.40199 9.78723
65 2WH8 II2 0.006364 0.42194 11.0638
66 4C1K PEP 0.02108 0.40061 11.4894
67 5CX6 CDP 0.01185 0.41685 12.3404
68 5W97 CHD 0.01329 0.41259 12.5
69 2V5E SCR 0.02544 0.40408 12.8713
70 1RQJ RIS 0.0009556 0.40754 13.617
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