Receptor
PDB id Resolution Class Description Source Keywords
4RC8 1.71 Å EC: 4.1.99.5 CRYSTAL STRUCTURE OF CYANOBACTERIAL ALDEHYDE-DEFORMYLATING O BOUND WITH FATTY ACID SYNECHOCOCCUS ELONGATUS PCC 7942 OXYGENASE LYASE
Ref.: STRUCTURAL INSIGHTS INTO THE CATALYTIC MECHANISM OF ALDEHYDE-DEFORMYLATING OXYGENASES PROTEIN CELL 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STE A:301;
Valid;
none;
submit data
284.477 C18 H36 O2 CCCCC...
FE A:303;
A:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RC8 1.71 Å EC: 4.1.99.5 CRYSTAL STRUCTURE OF CYANOBACTERIAL ALDEHYDE-DEFORMYLATING O BOUND WITH FATTY ACID SYNECHOCOCCUS ELONGATUS PCC 7942 OXYGENASE LYASE
Ref.: STRUCTURAL INSIGHTS INTO THE CATALYTIC MECHANISM OF ALDEHYDE-DEFORMYLATING OXYGENASES PROTEIN CELL 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4RC7 - PL3 C16 H34 O CCCCCCCCCC....
2 4QUW - PL3 C16 H34 O CCCCCCCCCC....
3 4RC5 - PL3 C16 H34 O CCCCCCCCCC....
4 4RC8 - STE C18 H36 O2 CCCCCCCCCC....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PG1 - Y39 C13 H24 O2 CCCCCCCCC[....
2 4PGK - Y69 C17 H34 O4 CCOCCOCCOC....
3 4PGI - Y69 C17 H34 O4 CCOCCOCCOC....
4 4TW3 - STE C18 H36 O2 CCCCCCCCCC....
5 4PG0 - Y39 C13 H24 O2 CCCCCCCCC[....
6 4KVS - 6NA C6 H12 O2 CCCCCC(=O)....
7 4KVQ - PLM C16 H32 O2 CCCCCCCCCC....
8 4KVR - 6NA C6 H12 O2 CCCCCC(=O)....
9 4RC7 - PL3 C16 H34 O CCCCCCCCCC....
10 4QUW - PL3 C16 H34 O CCCCCCCCCC....
11 4RC5 - PL3 C16 H34 O CCCCCCCCCC....
12 4RC8 - STE C18 H36 O2 CCCCCCCCCC....
13 5K52 - OCD C18 H36 O CCCCCCCCCC....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PG1 - Y39 C13 H24 O2 CCCCCCCCC[....
2 4PGK - Y69 C17 H34 O4 CCOCCOCCOC....
3 4PGI - Y69 C17 H34 O4 CCOCCOCCOC....
4 4TW3 - STE C18 H36 O2 CCCCCCCCCC....
5 4PG0 - Y39 C13 H24 O2 CCCCCCCCC[....
6 4KVS - 6NA C6 H12 O2 CCCCCC(=O)....
7 4KVQ - PLM C16 H32 O2 CCCCCCCCCC....
8 4KVR - 6NA C6 H12 O2 CCCCCC(=O)....
9 5K53 - STE C18 H36 O2 CCCCCCCCCC....
10 4RC7 - PL3 C16 H34 O CCCCCCCCCC....
11 4QUW - PL3 C16 H34 O CCCCCCCCCC....
12 4RC5 - PL3 C16 H34 O CCCCCCCCCC....
13 4RC8 - STE C18 H36 O2 CCCCCCCCCC....
14 5K52 - OCD C18 H36 O CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STE; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RC8; Ligand: STE; Similar sites found: 135
This union binding pocket(no: 1) in the query (biounit: 4rc8.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4V3I ASP LEU THR ARG PRO 0.01049 0.43223 None
2 5FS0 5JC 0.01633 0.41071 None
3 4LWU 20U 0.01051 0.40812 None
4 1G27 BB1 0.006543 0.40679 None
5 1WS1 BB2 0.01096 0.40365 None
6 5IJJ I6P 0.01579 0.41893 1.04167
7 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.0112 0.41899 1.35135
8 2Z9I GLY ALA THR VAL 0.02308 0.41332 1.35135
9 1LQY BB2 0.001025 0.44626 1.63043
10 3WUR O4B 0.009197 0.43441 1.75439
11 2BP1 FLC 0.01401 0.42284 1.8018
12 2Q2Y MKR 0.02047 0.41735 1.8018
13 2Q2Y ADP 0.02047 0.41735 1.8018
14 4ZOM 4Q3 0.02677 0.41019 1.8018
15 3R9V DXC 0.01755 0.41667 2.25225
16 5KBE IPH 0.01603 0.41551 2.25225
17 3FAL REA 0.01054 0.40806 2.25225
18 3Q8G PEE 0.02181 0.40444 2.25225
19 3G58 988 0.01917 0.40317 2.25225
20 3AQT RCO 0.005254 0.44292 2.7027
21 4MGA 27L 0.007602 0.44201 2.7027
22 4TV1 36M 0.007669 0.4321 2.7027
23 3PF7 MLA 0.00009945 0.41427 2.7027
24 1YYE 196 0.009282 0.41066 2.7027
25 3G5K BB2 0.01164 0.40245 2.73224
26 4MRP GSH 0.005777 0.45864 2.9316
27 3CHT 4NB 0.002299 0.46306 3.15315
28 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.01197 0.41754 3.15315
29 1T0S BML 0.01806 0.41341 3.15315
30 4URN NOV 0.01933 0.41128 3.15315
31 2Q4G CIT 0.02441 0.406 3.15315
32 3P9T TCL 0.02209 0.40012 3.19635
33 4DOO DAO 0.009824 0.4095 3.41463
34 2JHP GUN 0.005777 0.4438 3.6036
35 5U0L 8YP 0.009877 0.42462 3.6036
36 1YC4 43P 0.005773 0.42445 3.6036
37 5UC9 MYR 0.01717 0.4167 3.6036
38 4RQL SNE 0.01935 0.40698 3.6036
39 4O1Z MXM 0.005615 0.4031 3.6036
40 3G9E RO7 0.01119 0.40121 3.6036
41 1RTW MP5 0.01528 0.41659 3.63636
42 5V4R MGT 0.00066 0.49184 3.7037
43 1M48 FRG 0.02221 0.40815 3.7594
44 3OQJ 3CX 0.01918 0.41146 3.89105
45 5OCA 9QZ 0.00005036 0.56585 4.05405
46 2HHP FLC 0.0005636 0.49388 4.05405
47 1XMY ROL 0.005892 0.43305 4.05405
48 1XM4 PIL 0.006921 0.42067 4.05405
49 5EE7 5MV 0.02151 0.41481 4.05405
50 1XMU ROF 0.008469 0.41252 4.05405
51 1Z6T ADP 0.006996 0.40896 4.05405
52 1J78 VDY 0.02463 0.40166 4.05405
53 2F2G HMH 0.005426 0.44337 4.0724
54 2Q4X HMH 0.007079 0.43934 4.0724
55 3E8T UQ8 0.01158 0.41781 4.09091
56 4UMJ BFQ 0.01389 0.4234 4.5045
57 3SQP 3J8 0.01538 0.4173 4.5045
58 2WH8 II2 0.01644 0.40647 4.5045
59 3L1N PLM 0.006078 0.43732 4.63918
60 5U98 1KX 0.002555 0.45021 4.95496
61 1XVB 3BR 0.003344 0.44046 4.95496
62 1XVB BHL 0.000008028 0.42736 4.95496
63 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.005483 0.41086 4.95496
64 1QY8 RDI 0.009472 0.40656 4.95496
65 4IGH ORO 0.03388 0.40196 4.95496
66 4IGH FMN 0.03388 0.40196 4.95496
67 4IGH 1EA 0.03388 0.40196 4.95496
68 4A7W GTP 0.03918 0.40193 4.95496
69 5CHR 4NC 0.001789 0.46713 5.10949
70 4Q86 AMP 0.0049 0.42365 5.40541
71 4ORM ORO 0.01426 0.41904 5.40541
72 4ORM FMN 0.01426 0.41904 5.40541
73 4ORM 2V6 0.01426 0.41904 5.40541
74 3KDU NKS 0.01138 0.41349 5.40541
75 5OFW 9TW 0.02601 0.40616 5.40541
76 4DR9 BB2 0.008426 0.40889 5.72917
77 1LOX RS7 0.001657 0.44118 5.85586
78 3HP9 CF1 0.01166 0.4336 5.85586
79 5L2J 6UL 0.01109 0.42414 5.85586
80 5L2J 70E 0.0118 0.42414 5.85586
81 1N13 AG2 0.02047 0.41264 6.19469
82 1MT1 AG2 0.0226 0.41235 6.19469
83 2QQC AG2 0.02305 0.40979 6.25
84 3RDE OYP 0.0005424 0.44178 6.30631
85 4YSX E23 0.01018 0.42574 6.30631
86 5GWE GWM 0.02217 0.40398 6.30631
87 4HBM 0Y7 0.006759 0.41327 6.66667
88 5LX9 OLB 0.001029 0.45531 6.75676
89 3TDC 0EU 0.01566 0.43987 6.75676
90 5LWY OLB 0.004656 0.42468 6.75676
91 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.0156 0.42303 6.75676
92 4FHT DHB 0.01213 0.42324 7.00637
93 5DCH 1YO 0.01409 0.42073 7.29167
94 4OAS 2SW 0.009353 0.4105 7.29167
95 5E70 RCD 0.01372 0.40262 7.65766
96 4MLN ODV 0.01906 0.4116 8.16327
97 1I0B PEL 0.008861 0.44135 8.55856
98 3B6C SDN 0.0159 0.4157 8.55856
99 3W54 RNB 0.0001416 0.48463 9.00901
100 2XN5 FUN 0.005281 0.43073 9.00901
101 2Z7I 742 0.01952 0.41445 9.00901
102 1RV1 IMZ 0.01808 0.40064 9.41177
103 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.005731 0.42899 9.52381
104 5MES 7LT 0.002991 0.43812 9.87654
105 4XCP PLM 0.01692 0.41565 10
106 3RLF MAL 0.002828 0.44908 10.3604
107 4QWT ACD 0.006018 0.40354 10.3604
108 5CX6 CDP 0.03261 0.40129 10.3604
109 1EYQ NAR 0.0261 0.40038 10.3604
110 1TV5 N8E 0.0007028 0.50446 10.8108
111 4OKD GLC GLC GLC 0.0363 0.40218 10.8108
112 3E3U NVC 0.005185 0.4225 11.1675
113 5VRH OLB 0.01487 0.41989 11.2613
114 5MWE TCE 0.001852 0.46397 11.4286
115 4ZGM 32M 0.006167 0.44203 11.4754
116 2GBB CIT 0.02924 0.40191 11.5385
117 1M2Z BOG 0.002599 0.46389 12.1622
118 1SR7 MOF 0.002602 0.42602 12.1622
119 4P6X HCY 0.005548 0.41319 12.1622
120 4OAR 2S0 0.005394 0.40708 12.1622
121 3WFD AXO 0.006251 0.42616 12.3288
122 3QKD HI0 0.002452 0.40315 12.7072
123 4O4Z N2O 0.008093 0.40525 12.987
124 4UZI IMD 0.02784 0.40745 13.5135
125 1NRL SRL 0.007121 0.40518 13.5135
126 4QVX 3CQ 0.003955 0.4095 13.7725
127 5N8V KZZ 0.02412 0.40212 14.4928
128 2ALG DAO 0.02692 0.40482 16.3043
129 3KO0 TFP 0.01293 0.40781 16.8317
130 3G08 FEE 0.001747 0.45458 17.1171
131 2CB8 MYA 0.02114 0.41285 17.2414
132 3N7S 3N7 0.03629 0.40319 17.7083
133 5X20 AOT 0.02772 0.40515 21.1712
134 2VWA PTY 0.01637 0.41557 21.7822
135 1XXA ARG 0.01652 0.41483 24.359
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