-->
Receptor
PDB id Resolution Class Description Source Keywords
3U3U 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TABLYSIN-15-LEUKOTRIENE E4 COMPLEX TABANUS YAO CAP DOMAIN BINDING PROTEIN INTEGRIN ALPHAVBETA3 AND LEUKOTPROTEIN BINDING
Ref.: STRUCTURE OF PROTEIN HAVING INHIBITORY DISINTEGRIN LEUKOTRIENE SCAVENGING FUNCTIONS CONTAINED IN SINGL J.BIOL.CHEM. V. 287 10967 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT C:234;
C:235;
Invalid;
Invalid;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
EAH C:236;
Valid;
none;
Kd = 133.3 nM
320.466 C20 H32 O3 CCCCC...
PR C:233;
Invalid;
none;
submit data
140.908 Pr [Pr+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3U3U 2.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE TABLYSIN-15-LEUKOTRIENE E4 COMPLEX TABANUS YAO CAP DOMAIN BINDING PROTEIN INTEGRIN ALPHAVBETA3 AND LEUKOTPROTEIN BINDING
Ref.: STRUCTURE OF PROTEIN HAVING INHIBITORY DISINTEGRIN LEUKOTRIENE SCAVENGING FUNCTIONS CONTAINED IN SINGL J.BIOL.CHEM. V. 287 10967 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3U3U Kd = 133.3 nM EAH C20 H32 O3 CCCCCC=C/C....
2 3U3L - PLM C16 H32 O2 CCCCCCCCCC....
3 3U3N - PLM C16 H32 O2 CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3U3U Kd = 133.3 nM EAH C20 H32 O3 CCCCCC=C/C....
2 3U3L - PLM C16 H32 O2 CCCCCCCCCC....
3 3U3N - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3U3U Kd = 133.3 nM EAH C20 H32 O3 CCCCCC=C/C....
2 3U3L - PLM C16 H32 O2 CCCCCCCCCC....
3 3U3N - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EAH; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 EAH 1 1
2 DJ3 0.506849 0.78125
3 ACD 0.491525 0.884615
4 EIC 0.47541 0.884615
5 RCL 0.434783 0.961538
6 OCR 0.416667 0.925926
7 1AG 0.408451 0.735294
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3U3U; Ligand: EAH; Similar sites found with APoc: 130
This union binding pocket(no: 1) in the query (biounit: 3u3u.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 4WG0 CHD None
3 1ZEI CRS None
4 3KPE TM3 None
5 4F4S EFO None
6 5AIG VPR None
7 5UC4 83S None
8 5XJ7 87O 0.995025
9 1EYQ NAR 1.35135
10 5X13 HC4 1.59574
11 4L4J NAG NAG BMA MAN NAG 1.80995
12 1R6N 434 1.89573
13 1NF8 BOG 1.93237
14 4MGA 27L 2.14592
15 3KFC 61X 2.14592
16 5X9D 80F 2.14592
17 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 2.17391
18 5XDT ZI7 2.27273
19 1OGD RIP 2.29008
20 4ZGM 32M 2.45902
21 6CHP F0Y 2.48447
22 2HHP FLC 2.57511
23 5AZC PGT 2.57511
24 1YC4 43P 2.57511
25 5FUS DAO 2.57511
26 1ZOA 140 2.57511
27 4B7P 9UN 2.6087
28 4XB4 45D 2.63158
29 3B9Z CO2 3.00429
30 1E4I NFG 3.00429
31 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 3.00429
32 6CB2 OLC 3.43348
33 3E70 GDP 3.43348
34 5LX9 OLB 3.43348
35 2YFB SIN 3.43348
36 1EM6 CP4 3.43348
37 2HFP NSI 3.43348
38 2Q8G AZX 3.43348
39 2P4Y C03 3.43348
40 4B1V LAB 3.43348
41 3FUR Z12 3.43348
42 2QES ADE 3.43348
43 5K7K 6RJ 3.43348
44 2VQ5 HBA 3.48259
45 6D5X 5AD 3.57143
46 4ZVV NAD 3.86266
47 4ZVV GN0 3.86266
48 1VR0 3SL 3.86266
49 4LY9 S6P 3.86266
50 4LY9 1YY 3.86266
51 3KP6 SAL 3.97351
52 2D5X L35 4.10959
53 5NTW 98N 4.29185
54 6D28 NEC 4.29185
55 6ESN BWE 4.29185
56 5NI5 8YB 4.29185
57 4YUS FMN 4.29185
58 2BHW NEX 4.31034
59 6BYM HC3 4.4335
60 5UGW GSH 4.57143
61 3SQP 3J8 4.72103
62 5G5W R8C 4.72103
63 4TV1 36M 4.72103
64 3BQD DAY 4.72103
65 2QA8 GEN 4.72103
66 1XMY ROL 4.72103
67 3IQE F42 4.72103
68 2OHV NHL 4.72103
69 5J32 IPM 4.96278
70 1J1R ADE 5.15021
71 3FAL REA 5.5794
72 5C1M OLC 5.6
73 5X80 SAL 5.625
74 1I7M PUT 5.97015
75 3DZ6 PUT 5.97015
76 5DEY 59T 6.00858
77 1TV5 N8E 6.00858
78 1MLD CIT 6.00858
79 4UMJ BFQ 6.00858
80 4D52 GXL 6.00858
81 2EVL GAL SPH EIC 6.2201
82 5FQK 6NT 6.3197
83 5NM7 GLY 6.43777
84 5CQG 55C 6.43777
85 4RW3 PLM 6.86695
86 1Y4Z PCI 6.86695
87 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 7
88 3G5K BB2 7.10383
89 4URN NOV 7.11111
90 6MVU K4V 7.29614
91 4IGH FMN 7.29614
92 4IGH 1EA 7.29614
93 4IGH ORO 7.29614
94 2UW1 GVM 7.29614
95 6DIO CIT 7.72532
96 3ZGE ASP 7.72532
97 4MRP GSH 7.72532
98 4DR9 BB2 7.8125
99 2BCG GER 8.25243
100 5Y02 HBX 8.41121
101 3KAL HGS 8.58369
102 4WGF HX2 8.78049
103 5K21 6QF 9.21986
104 2V5E SCR 9.90099
105 3M3E GAL A2G NPO 9.93789
106 4Q86 AMP 10.3004
107 4OB1 BUB 10.3004
108 4JGP PYR 10.5991
109 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 10.7296
110 1TKU 5RP 10.7843
111 5LWY OLB 10.9244
112 3EYK EYK 11.1588
113 5Z9S BGC 11.1588
114 4M52 M52 11.1588
115 1DTL BEP 11.1801
116 5XJD 87L 12.2727
117 5OCA 9QZ 12.6984
118 4V1F BQ1 12.7907
119 5W7B MYR 13.4752
120 1HBK MYR 13.4831
121 2HFN FMN 14.3791
122 1UBY DMA 14.5923
123 2GWH PCI 17.1674
124 1RV1 IMZ 18.8235
125 4OGQ 7PH 19.5531
126 5CHR 4NC 19.708
127 3PMA SCR 34.4828
128 3VRV YSD 38.4615
129 1UO4 PIH 41.1765
130 1UO5 PIH 41.1765
APoc FAQ
Feedback