Receptor
PDB id Resolution Class Description Source Keywords
5MWE 2.02 Å NON-ENZYME: OTHER COMPLEX BETWEEN THE LEUCINE ZIPPER (LZ, RESIDUES 490-567) AN CENTROSOMIN-MOTIF 2 (CM2) DOMAINS OF DROSOPHILA MELANOGASTEC ENTROSOMIN (CNN) DROSOPHILA MELANOGASTER CENTROSOME CENTRIOLE COILED-COIL MITOSIS CELL CYCLE
Ref.: STRUCTURAL BASIS FOR MITOTIC CENTROSOME ASSEMBLY IN CELL V. 169 1078 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TCE B:1201;
Valid;
Atoms found MORE than expected: % Diff = 2;
submit data
250.186 C9 H15 O6 P C(CP(...
ZN A:1201;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
EDO D:601;
C:601;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MWE 2.02 Å NON-ENZYME: OTHER COMPLEX BETWEEN THE LEUCINE ZIPPER (LZ, RESIDUES 490-567) AN CENTROSOMIN-MOTIF 2 (CM2) DOMAINS OF DROSOPHILA MELANOGASTEC ENTROSOMIN (CNN) DROSOPHILA MELANOGASTER CENTROSOME CENTRIOLE COILED-COIL MITOSIS CELL CYCLE
Ref.: STRUCTURAL BASIS FOR MITOTIC CENTROSOME ASSEMBLY IN CELL V. 169 1078 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5MWE - TCE C9 H15 O6 P C(CP(CCC(=....
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 5MWE - TCE C9 H15 O6 P C(CP(CCC(=....
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 5MWE - TCE C9 H15 O6 P C(CP(CCC(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TCE; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TCE 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MWE; Ligand: TCE; Similar sites found: 158
This union binding pocket(no: 1) in the query (biounit: 5mwe.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4GFD 0YB 0.001799 0.46639 None
2 4COL DTP 0.001588 0.45717 None
3 4DXJ 0M9 0.006731 0.444 None
4 4WG0 CHD 0.001544 0.44228 None
5 4IEH 1E9 0.006253 0.43834 None
6 3V49 PK0 0.006829 0.43792 None
7 5F1R 42O 0.01005 0.43063 None
8 1UKZ ADP 0.0304 0.41262 None
9 2Z6D FMN 0.01629 0.41007 None
10 3N7S 3N7 0.01476 0.40971 None
11 4P3H 25G 0.02243 0.40792 None
12 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.003616 0.40688 None
13 1PCA CIT 0.02556 0.40608 None
14 3R9C ECL 0.0139 0.40548 None
15 2EW5 Y12 0.02129 0.40412 None
16 3KP6 SAL 0.02218 0.40032 None
17 3BQD DAY 0.008297 0.42865 3.7037
18 5G3N X28 0.008858 0.42718 3.7037
19 1U3D FAD 0.01433 0.42529 3.7037
20 4P6X HCY 0.01296 0.41694 3.7037
21 4LSJ LSJ 0.01525 0.41502 3.7037
22 3WYJ H78 0.02221 0.44283 4.93827
23 2PX8 MGT 0.005117 0.42709 4.93827
24 1LBT T80 0.01345 0.41612 4.93827
25 2EV1 OLA 0.004507 0.44403 5.71429
26 1YUC EPH 0.008513 0.43293 5.71429
27 1YOK P6L 0.02693 0.41866 5.71429
28 1YKD CMP 0.0001567 0.5102 6.17284
29 4OPC PGT 0.0403 0.44406 6.17284
30 5C1M CLR 0.003967 0.41461 6.17284
31 5UGW GSH 0.003782 0.41031 6.17284
32 5V3Y 5V8 0.01138 0.40748 6.17284
33 5C1M 4VO 0.01576 0.40276 6.17284
34 4IS0 1R4 0.01344 0.44614 7.14286
35 5IR4 ZPE 0.01461 0.439 7.14286
36 3TGE TGE 0.04046 0.42209 7.14286
37 5GIC DLC 0.02048 0.41832 7.14286
38 3VRV YSD 0.04149 0.41787 7.14286
39 4M73 SAH 0.02908 0.41784 7.14286
40 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.02028 0.4102 7.14286
41 4M73 M72 0.04234 0.40981 7.14286
42 2PX6 DH9 0.014 0.40961 7.14286
43 4QWT ACD 0.01335 0.42417 7.40741
44 4M0R 644 0.03942 0.41594 7.40741
45 1NP7 FAD 0.0263 0.41251 7.40741
46 3FZG SAM 0.00201 0.40553 7.40741
47 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.02795 0.40004 7.40741
48 5AZC PGT 0.008608 0.47407 8.57143
49 5B4B LP5 0.003867 0.45675 8.57143
50 5X8Q 82R 0.003563 0.4493 8.57143
51 4ZOM 4Q3 0.0348 0.43549 8.57143
52 5APJ 76E 0.01675 0.42297 8.57143
53 1GHE ACO 0.0237 0.40818 8.57143
54 1YMT DR9 0.01135 0.43065 8.64198
55 1OQC FAD 0.01283 0.42211 8.64198
56 4QJR PIZ 0.01529 0.42107 8.64198
57 1XVB BHL 0.04321 0.41024 8.64198
58 1XVB 3BR 0.01066 0.40888 8.64198
59 5L7G 6QE 0.01436 0.41798 10
60 5MW4 5JU 0.03426 0.41764 10
61 4NKW PLO 0.01239 0.41615 10
62 4JE7 BB2 0.024 0.40145 10
63 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.01423 0.40018 10
64 3ICS COA 0.008952 0.43998 11.1111
65 3MBG FAD 0.02254 0.41218 11.1111
66 4RC8 STE 0.001852 0.46397 11.4286
67 3ET1 ET1 0.003139 0.44652 11.4286
68 3KDU NKS 0.01751 0.43891 11.4286
69 4U0S ADP 0.005723 0.42699 11.4286
70 2VVT I24 0.01528 0.42509 11.4286
71 4UCC ZKW 0.004953 0.42457 11.4286
72 1W96 S1A 0.008804 0.4218 11.4286
73 2ZMF CMP 0.01393 0.41356 11.4286
74 1JR8 FAD 0.01986 0.41067 11.4286
75 4TV1 36M 0.008164 0.40929 11.4286
76 1IID NHM 0.04786 0.40867 11.4286
77 1FCH TYR GLN SER LYS LEU 0.03204 0.4041 11.4286
78 4Q9N NAI 0.04893 0.40028 11.4286
79 4OKZ 3E9 0.005181 0.44091 12.3457
80 5CHR 4NC 0.006253 0.41887 12.3457
81 3SQP 3J8 0.0135 0.40351 12.3457
82 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.00883 0.44912 12.8571
83 3PE2 E1B 0.02697 0.42599 12.8571
84 1M13 HYF 0.02831 0.41316 12.8571
85 2E9L BGC 0.04707 0.40726 12.8571
86 2E9L PLM 0.04527 0.40726 12.8571
87 2E9L OLA 0.04869 0.40645 12.8571
88 4MRP GSH 0.02171 0.40291 12.8571
89 1LN1 DLP 0.01682 0.42649 13.5802
90 2P1C GG3 0.04488 0.40004 13.5802
91 4X8D AVI 0.00505 0.40806 14.2857
92 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.006489 0.40533 14.2857
93 3JRS A8S 0.01958 0.40223 14.2857
94 5LJ0 6XX 0.004652 0.44662 14.8148
95 5V13 JH3 0.02348 0.40193 14.8148
96 2O5L MNR 0.00383 0.43796 15.7143
97 4R38 RBF 0.01629 0.41184 15.7143
98 2WCJ M21 0.02049 0.40997 15.7143
99 1IYK MYA 0.03424 0.4087 15.7143
100 3NTD COA 0.007553 0.44634 16.0494
101 2YNC YNC 0.02213 0.42331 16.0494
102 2FP2 TSA 0.01197 0.41691 16.0494
103 2ZCQ B65 0.006369 0.45979 17.1429
104 3HP9 CF1 0.009481 0.41762 17.1429
105 1TZD ADP 0.01047 0.40448 17.284
106 3FAL REA 0.01199 0.41091 18.5185
107 2Q2Y MKR 0.03507 0.43686 18.5714
108 2Q2Y ADP 0.03507 0.43686 18.5714
109 1SR7 MOF 0.01438 0.42898 18.5714
110 4OAR 2S0 0.01503 0.41363 18.5714
111 4IGH 1EA 0.01338 0.4561 19.7531
112 4IGH FMN 0.01338 0.4561 19.7531
113 4IGH ORO 0.01338 0.4561 19.7531
114 3WCA FPS 0.009406 0.43629 20
115 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.01149 0.43296 20
116 5L2J 6UL 0.04563 0.42474 20
117 5L2J 70E 0.04773 0.42474 20
118 3OV6 MK0 0.03154 0.40948 20
119 5U98 1KX 0.04866 0.40827 20
120 4YC9 4C1 0.007617 0.4185 21.4286
121 1BC5 SAH 0.02133 0.41058 21.4286
122 5OCA 9QZ 0.004987 0.43947 22.2222
123 3IX8 TX3 0.02779 0.40738 22.2222
124 3G9E RO7 0.01132 0.43688 22.8571
125 3FUR Z12 0.02258 0.43112 22.8571
126 3H0A D30 0.01483 0.42315 22.8571
127 3KRO DST 0.02554 0.40931 22.8571
128 3KRO IPE 0.02554 0.40931 22.8571
129 2DYR TGL 0.02362 0.41855 23.4043
130 2DYR PGV 0.03654 0.41239 23.4043
131 3G08 FEE 0.004401 0.47647 24.2857
132 3SCM LGN 0.01797 0.44283 24.2857
133 3QKD HI0 0.005588 0.44246 24.2857
134 4XCP PLM 0.002931 0.43264 24.2857
135 3TDC 0EU 0.003529 0.43142 24.2857
136 3GWT 066 0.007384 0.44445 24.6914
137 1XMY ROL 0.002084 0.44105 24.6914
138 5HCN DAO 0.006551 0.41394 24.6914
139 4DR9 BB2 0.01653 0.40596 24.6914
140 1XM4 PIL 0.002447 0.4038 24.6914
141 2WYA HMG 0.02139 0.41972 25.7143
142 1T3Q MCN 0.04364 0.40717 25.7143
143 3G4G D71 0.002002 0.45645 25.9259
144 5K52 OCD 0.008162 0.42901 25.9259
145 4Q86 AMP 0.0007649 0.41642 25.9259
146 2VL8 UDP 0.01367 0.41575 25.9259
147 3G58 988 0.002998 0.41044 25.9259
148 2VL8 CTS 0.01665 0.40959 25.9259
149 1LOX RS7 0.0001353 0.51086 27.1429
150 1OUK 084 0.01726 0.46384 27.1429
151 4XVX P33 FDA 0.01352 0.43386 27.1605
152 3ET3 ET1 0.003134 0.44851 28.5714
153 3CGD NAD 0.04621 0.43125 30
154 3CGD FAD 0.04621 0.43125 30
155 3CGD COA 0.04621 0.43125 30
156 1RQJ RIS 0.01645 0.41796 32.0988
157 4WZ8 3W7 0.01864 0.43317 32.8571
158 3QCP FAD 0.01635 0.41954 38.5714
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