Receptor
PDB id Resolution Class Description Source Keywords
4XIZ 2 Å NON-ENZYME: OTHER STRUCTURE OF A PHOSPHOLIPID TRAFFICKING COMPLEX WITH SUBSTRA SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) PHOSPHOLIPID LIPID TRANSPORT-OXIDOREDUCTASE COMPLEX
Ref.: STRUCTURAL BASIS OF INTRAMITOCHONDRIAL PHOSPHATIDIC TRANSPORT MEDIATED BY UPS1-MDM35 COMPLEX EMBO REP. V. 16 813 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LPP A:201;
B:201;
Valid;
Valid;
none;
none;
submit data
648.891 C35 H69 O8 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XIZ 2 Å NON-ENZYME: OTHER STRUCTURE OF A PHOSPHOLIPID TRAFFICKING COMPLEX WITH SUBSTRA SACCHAROMYCES CEREVISIAE (STRAIN ATCC S288C) PHOSPHOLIPID LIPID TRANSPORT-OXIDOREDUCTASE COMPLEX
Ref.: STRUCTURAL BASIS OF INTRAMITOCHONDRIAL PHOSPHATIDIC TRANSPORT MEDIATED BY UPS1-MDM35 COMPLEX EMBO REP. V. 16 813 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4XIZ - LPP C35 H69 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 4XIZ - LPP C35 H69 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 4XIZ - LPP C35 H69 O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LPP; Similar ligands found: 92
No: Ligand ECFP6 Tc MDL keys Tc
1 7PH 1 1
2 6PH 1 1
3 3PH 1 1
4 LPP 1 1
5 7P9 0.980392 1
6 PD7 0.921569 1
7 M7U 0.847458 1
8 44E 0.846154 1
9 PX2 0.803571 0.930233
10 TGL 0.745098 0.690476
11 CD4 0.725806 0.953488
12 PEF 0.714286 0.788462
13 PEV 0.714286 0.788462
14 PEH 0.714286 0.788462
15 8PE 0.714286 0.788462
16 PTY 0.714286 0.788462
17 9PE 0.703125 0.788462
18 PEE 0.703125 0.773585
19 LHG 0.703125 0.911111
20 PGT 0.703125 0.911111
21 CDL 0.6875 0.863636
22 HGP 0.681818 0.727273
23 HGX 0.681818 0.727273
24 LIO 0.681818 0.727273
25 PC7 0.681818 0.727273
26 6PL 0.681818 0.727273
27 P5S 0.681818 0.803922
28 PLD 0.681818 0.727273
29 PII 0.661765 0.836735
30 CN3 0.642857 0.953488
31 PIF 0.642857 0.857143
32 3PE 0.641791 0.711538
33 DDR 0.631579 0.697674
34 DGA 0.631579 0.697674
35 L2C 0.631579 0.697674
36 PIZ 0.630137 0.875
37 XP5 0.626866 0.727273
38 L9Q 0.625 0.773585
39 LOP 0.625 0.773585
40 PCF 0.623188 0.685185
41 MC3 0.623188 0.685185
42 PC1 0.623188 0.685185
43 PGW 0.616438 0.891304
44 PIO 0.616438 0.857143
45 52N 0.616438 0.857143
46 IP9 0.616438 0.875
47 CN6 0.614286 0.953488
48 NKN 0.610169 0.953488
49 AGA 0.608696 0.869565
50 PGV 0.608108 0.891304
51 DR9 0.608108 0.891304
52 PGK 0.6 0.854167
53 PCW 0.6 0.714286
54 P6L 0.6 0.891304
55 OZ2 0.592105 0.891304
56 44G 0.590909 0.911111
57 ZPE 0.586667 0.773585
58 PCK 0.584416 0.689655
59 B7N 0.584416 0.82
60 DGG 0.576923 0.854167
61 PSF 0.573529 0.803922
62 LBR 0.5625 0.644444
63 GP7 0.5625 0.773585
64 PIE 0.556962 0.764706
65 P3A 0.556962 0.851064
66 PEK 0.556962 0.773585
67 L9R 0.551282 0.672727
68 PSC 0.548781 0.714286
69 NKP 0.529412 0.931818
70 G2A 0.527273 0.659091
71 2JT 0.527273 0.659091
72 T7X 0.517647 0.82
73 PDK 0.505618 0.683333
74 SQD 0.5 0.609375
75 GYM 0.491525 0.644444
76 DLP 0.482353 0.672727
77 EPH 0.466667 0.773585
78 LP3 0.465753 0.732143
79 LPC 0.465753 0.732143
80 LAP 0.465753 0.732143
81 PGM 0.457143 0.847826
82 PC5 0.432432 0.603448
83 3PC 0.428571 0.666667
84 OLB 0.426471 0.630435
85 PVC 0.426471 0.625
86 OLC 0.426471 0.630435
87 CN5 0.421053 0.931818
88 42H 0.414634 0.719298
89 DB4 0.413333 0.795918
90 PBU 0.410256 0.795918
91 MVC 0.405797 0.630435
92 S12 0.402439 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XIZ; Ligand: LPP; Similar sites found: 103
This union binding pocket(no: 1) in the query (biounit: 4xiz.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC 0.000251 0.53665 None
2 2BOS GLA GAL 0.000333 0.52456 None
3 3I7V ATP 0.01311 0.43129 None
4 3IWD M2T 0.02149 0.42075 None
5 1LOJ URI 0.04069 0.40335 None
6 1L5Y BEF 0.04113 0.40327 None
7 3KDJ A8S 0.007987 0.41566 2.35294
8 4NFN 2KC 0.0227 0.40094 2.35294
9 3ASZ C5P 0.03076 0.40105 2.94118
10 1IIU RTL 0.01018 0.40469 3.52941
11 5F7J ADE 0.04929 0.40289 3.52941
12 1SN0 T44 0.02316 0.40725 3.84615
13 1GUI BGC BGC BGC BGC BGC BGC 0.01781 0.42516 3.87097
14 5H2U 1N1 0.01991 0.40049 4.11765
15 1LNM DTX 0.005626 0.41923 4.28571
16 2D6M LBT 0.01529 0.4123 4.40252
17 3JU6 ANP 0.001819 0.47822 4.70588
18 3G1Z AMP 0.02833 0.40642 4.70588
19 5TV6 PML 0.04478 0.40347 4.70588
20 2HRL SIA GAL SIA BGC NGA CEQ 0.043 0.40062 4.72441
21 1NKI PPF 0.0348 0.40943 5.18518
22 1KZN CBN 0.01379 0.4048 5.29412
23 1I7M PUT 0.003481 0.47155 5.71429
24 3ZJX BOG 0.02997 0.415 5.71429
25 2XOM GAL GAL GAL 0.01794 0.4033 5.71429
26 1I7M CG 0.04045 0.40203 5.71429
27 3NZ1 3NY 0.03997 0.40101 5.71429
28 4LOO SB4 0.01951 0.40091 5.71429
29 4H6B 10X 0.01307 0.41968 5.88235
30 4H6B 10Y 0.02128 0.41676 5.88235
31 1OI6 TMP 0.03913 0.40194 5.88235
32 1XI9 PLP 0.04363 0.40028 5.88235
33 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.009878 0.42575 6.47059
34 3SLS 77D 0.01635 0.40451 6.47059
35 5CLO NS8 0.02064 0.42317 6.77966
36 1Z03 OCH 0.01593 0.42776 7.05882
37 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.005245 0.40839 7.05882
38 3L1N PLM 0.04809 0.40178 7.05882
39 5H9P TD2 0.009504 0.43981 7.14286
40 5E89 TD2 0.005608 0.42993 7.14286
41 1QKQ MAN 0.004316 0.41527 7.14286
42 1BHX ASP PHE GLU GLU ILE 0.0006634 0.48952 7.48299
43 5TH5 MET 0.01339 0.43182 8.57143
44 3G08 FEE 0.003251 0.41773 8.57143
45 4BTV RB3 0.03625 0.40917 8.57143
46 1F52 ADP 0.02267 0.40771 8.57143
47 2GC0 PAN 0.01585 0.40514 8.82353
48 1J3R 6PG 0.0322 0.40355 8.82353
49 5KJW 53C 0.01475 0.43276 9.41177
50 4PL9 ADP 0.01125 0.42294 9.41177
51 5DQ8 FLF 0.00353 0.41852 9.41177
52 4WVW SLT 0.03272 0.40026 9.72222
53 4Y24 TD2 0.0128 0.42411 9.74026
54 3E0M SER HIS MET ALA GLU ILE 0.008296 0.43819 10
55 3JQ3 ADP 0.007916 0.43477 10
56 3K3K A8S 0.006689 0.41587 10
57 5KO1 6UY 0.01498 0.40958 10
58 1U1J MET 0.04494 0.40818 10
59 3W9R A8S 0.02448 0.40604 10
60 3B6R ADP 0.02188 0.40171 10
61 1ERB ETR 0.003216 0.41148 10.5882
62 3WG3 A2G GAL NAG FUC 0.02683 0.41146 11.1765
63 2F7A BEZ 0.03274 0.40686 11.1765
64 3I0O SMI 0.01467 0.43254 11.4286
65 1EPB REA 0.01227 0.41372 11.4286
66 2J6U DGT 0.0289 0.40597 11.4286
67 5JSP DQY 0.03832 0.40946 11.7647
68 5W0N UPU 0.03742 0.40772 11.7647
69 1QPR PHT 0.03933 0.40476 11.7647
70 3SAO DBH 0.0007326 0.51054 12.5
71 3SAO NKN 0.0139 0.42228 12.5
72 4H2W AMP 0.02279 0.40086 12.6214
73 1GT4 UNA 0.00154 0.45661 12.8571
74 3ANY 2A3 0.04097 0.40406 12.9412
75 2PNC CLU 0.009245 0.44346 13.5294
76 4KBA 1QM 0.0202 0.41795 14.2857
77 4R78 AMP 0.03382 0.40615 14.2857
78 5T8O 76Z 0.01423 0.40418 14.2857
79 2GVJ DGB 0.01278 0.40327 14.2857
80 5TVF CGQ 0.03348 0.40638 14.7059
81 2XG5 EC5 0.006577 0.46291 15.7143
82 2XG5 EC2 0.006577 0.46291 15.7143
83 3HAV ATP 0.01963 0.42539 15.7143
84 4P8O 883 0.03139 0.40787 15.7143
85 4D4U FUC NDG GAL FUC 0.04031 0.40396 15.7143
86 4DBH OXL 0.04199 0.40558 15.8824
87 1I06 TZL 0.01346 0.4317 17.0588
88 1QY1 PRZ 0.00426 0.42131 17.0588
89 4WOE ADP 0.004199 0.46031 17.1429
90 3EHG ATP 0.003149 0.45045 17.1429
91 4EMV 0R9 0.007738 0.41629 17.1429
92 2GQS C2R 0.01697 0.41041 17.1429
93 3HCH RSM 0.03968 0.40675 17.1429
94 3I4X DST 0.03801 0.40346 17.1429
95 4NG2 OHN 0.009372 0.40338 17.1429
96 1DZK PRZ 0.003884 0.43752 18.5714
97 4WVO 3UZ 0.00484 0.40437 18.5714
98 2JIG PD2 0.03675 0.40424 18.5714
99 2CHN NGT 0.0272 0.40037 18.5714
100 5NCF 8T5 0.02376 0.4184 21.2389
101 3EHH ADP 0.03568 0.40492 21.4286
102 5ISY NAD 0.0143 0.41774 24.2857
103 3O0W MAN MAN MAN GLC 0.03279 0.40315 24.2857
Pocket No.: 2; Query (leader) PDB : 4XIZ; Ligand: LPP; Similar sites found: 66
This union binding pocket(no: 2) in the query (biounit: 4xiz.bio2) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZO7 K6H 0.008759 0.43696 None
2 4ZSI 4R1 0.01105 0.41589 None
3 5T7I LAT NAG GAL 0.03251 0.41231 None
4 4ZSI GLP 0.01599 0.40823 None
5 1TV5 N8E 0.01662 0.43789 2.48307
6 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01675 0.43208 2.94118
7 1DZT TPE 0.02621 0.41398 2.94118
8 2Y2B AH0 0.01298 0.43379 3.52941
9 4ZS4 ATP 0.01223 0.40719 4.11765
10 4DSU BZI 0.01082 0.44237 4.28571
11 1OJJ GLC GAL 0.01958 0.41866 4.28571
12 5UGW GSH 0.01125 0.41628 4.28571
13 4ITH RCM 0.007489 0.41367 4.28571
14 2AGC DAO 0.005817 0.44624 4.32099
15 3IT7 TLA 0.04379 0.40032 4.70588
16 4OCT AKG 0.03667 0.40064 5.29412
17 4IBF 1D5 0.01409 0.41435 5.42636
18 4WUJ FMN 0.006874 0.41864 5.44218
19 2OVW CBI 0.03327 0.41049 5.71429
20 2WPX ACO 0.01509 0.40301 5.71429
21 4FE2 AIR 0.02461 0.40957 5.88235
22 4DE9 VTP 0.001829 0.40162 6.47059
23 4C01 QY9 0.01233 0.4187 7.14286
24 1XMY ROL 0.02799 0.41049 7.14286
25 5ETJ IM5 0.01683 0.40717 7.14286
26 4ZGM 32M 0.03761 0.40799 8.19672
27 1M2Z BOG 0.02611 0.42552 8.57143
28 4FFG 0U8 0.02117 0.41909 8.57143
29 4COL DTP 0.0142 0.41069 8.57143
30 1I1E DM2 0.03495 0.40933 8.57143
31 4E1Z 0MX 0.008547 0.4051 9.41177
32 5OCA 9QZ 0.001158 0.50338 10
33 1I0B PEL 0.0126 0.44013 10
34 4TUZ 36J 0.006072 0.43628 10
35 2YKL NLD 0.007702 0.43114 10
36 2BJ4 OHT 0.005293 0.42042 10
37 5DXE EST 0.01548 0.41236 10
38 3ET1 ET1 0.0132 0.40885 10
39 3SP6 IL2 0.01689 0.40076 10
40 1NCQ W11 0.01639 0.40137 10.2941
41 4BG4 ADP 0.002487 0.44265 10.5882
42 5HCN DAO 0.02689 0.4155 10.5882
43 4CJN QNZ 0.008738 0.44871 11.1765
44 3OYW TDG 0.01446 0.43002 11.194
45 4WQ2 3SU 0.004195 0.43208 12.3529
46 3QSB 743 0.0251 0.40913 12.3529
47 4MG8 27J 0.01064 0.4203 12.8571
48 4MGD 27N 0.01343 0.41538 12.8571
49 5HYR EST 0.02013 0.40678 12.8571
50 3UUD EST 0.02264 0.40428 12.8571
51 4MGB XDH 0.0174 0.40324 12.8571
52 4MG7 27H 0.01882 0.40165 12.8571
53 5DX3 EST 0.03044 0.40128 12.8571
54 1U3R 338 0.008195 0.41853 12.9412
55 2YJD YJD 0.01066 0.41664 12.9412
56 4LA7 A1O 0.00461 0.41071 14.2857
57 1EJH M7G 0.02205 0.42244 15.7143
58 5CHR 4NC 0.03536 0.41058 15.7143
59 5T8U LPA 0.02056 0.40985 15.8824
60 3A16 PXO 0.001525 0.46445 17.1429
61 1K0E TRP 0.02971 0.40182 17.1429
62 3TDC 0EU 0.0002038 0.48656 20
63 3TW1 AHN 0.02264 0.42073 21.4286
64 1XVB 3BR 0.03449 0.40201 25.7143
65 1ZY5 ANP 0.01796 0.40581 27.1429
66 1J78 OLA 0.04004 0.40393 28.5714
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