Receptor
PDB id Resolution Class Description Source Keywords
2E9L 1.6 Å EC: 3.2.1.21 CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC NEUTRAL BETA-GLYCOSYLCE (KLOTHO-RELATED PROTE:KLRP) COMPLEX WITH GLUCOSE AND FATTY HOMO SAPIENS NOVEL CYTOSOLIC NEUTRAL BETA-GLYCOSYLCERAMIDASE HYDROLASE
Ref.: KLOTHO-RELATED PROTEIN IS A NOVEL CYTOSOLIC NEUTRAL BETA-GLYCOSYLCERAMIDASE. J.BIOL.CHEM. V. 282 30889 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC A:1401;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
GOL A:3001;
A:3101;
A:3201;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
OLA A:2001;
Valid;
none;
submit data
282.461 C18 H34 O2 CCCCC...
PLM A:1001;
A:1101;
Valid;
Valid;
none;
none;
submit data
256.424 C16 H32 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2E9L 1.6 Å EC: 3.2.1.21 CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC NEUTRAL BETA-GLYCOSYLCE (KLOTHO-RELATED PROTE:KLRP) COMPLEX WITH GLUCOSE AND FATTY HOMO SAPIENS NOVEL CYTOSOLIC NEUTRAL BETA-GLYCOSYLCERAMIDASE HYDROLASE
Ref.: KLOTHO-RELATED PROTEIN IS A NOVEL CYTOSOLIC NEUTRAL BETA-GLYCOSYLCERAMIDASE. J.BIOL.CHEM. V. 282 30889 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 23 families.
1 2ZOX - OLA C18 H34 O2 CCCCCCCCC=....
2 2E9M - OLA C18 H34 O2 CCCCCCCCC=....
3 2E9L - OLA C18 H34 O2 CCCCCCCCC=....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 2ZOX - OLA C18 H34 O2 CCCCCCCCC=....
2 2E9M - OLA C18 H34 O2 CCCCCCCCC=....
3 2E9L - OLA C18 H34 O2 CCCCCCCCC=....
50% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W9D ic50 = 0.58 mM SEH C10 H13 N O4 S2 CCS/C(=NOS....
2 1W9B ic50 = 0.99 mM CGT C15 H21 N O8 S2 c1ccc(cc1)....
3 1E6Q Ki = 0.7 mM NTZ C6 H10 N4 O4 C([C@@H]1[....
4 1E70 - G2F C6 H11 F O5 C([C@@H]1[....
5 1E71 - ASC C6 H8 O6 C([C@@H]([....
6 2WXD ic50 = 3.3 uM E18 C12 H18 N2 O4 S2 CN(C)CCS/C....
7 1E72 Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
8 1E6X - LGC C6 H10 O6 C([C@@H]1[....
9 1E73 - ASC C6 H8 O6 C([C@@H]([....
10 1E6S Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
11 1UYQ - NFG C12 H13 F N2 O9 c1cc(c(cc1....
12 1BGG - GCO C6 H12 O7 C([C@H]([C....
13 1E4I - NFG C12 H13 F N2 O9 c1cc(c(cc1....
14 4EK7 - BGC C6 H12 O6 C([C@@H]1[....
15 3U57 - DH8 C27 H34 N2 O8 C/C=C/1[C@....
16 3U5Y - SCG C17 H24 O10 COC(=O)C1=....
17 2ZOX - OLA C18 H34 O2 CCCCCCCCC=....
18 2E9M - OLA C18 H34 O2 CCCCCCCCC=....
19 2E9L - OLA C18 H34 O2 CCCCCCCCC=....
20 3AI0 - PNW C12 H15 N O8 c1cc(ccc1[....
21 4IPN - 1FT C12 H23 O13 P S C([C@@H]1[....
22 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
23 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
24 2J7H Ki = 53 nM AZF C5 H12 N2 O3 C1[C@H]([C....
25 2J7D Ki = 160 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
26 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
27 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
28 2J79 Ki = 640 nM GTL C6 H12 N2 O5 C([C@@H]1[....
29 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
30 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
31 2VRJ Ki = 0.28 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
32 2J7F Ki = 361 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
33 2J77 Ki = 4 uM NOJ C6 H13 N O4 C1[C@@H]([....
34 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
35 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
36 2J7G Ki = 136 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
37 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
38 2WC4 Ki = 9.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
39 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
40 1OIF Kd = 0.019 uM IFM C6 H13 N O3 C1[C@@H]([....
41 2CES Ki = 138 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
42 2J7E Ki = 114 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
43 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
44 1OIM Kd = 4.762 uM NOJ C6 H13 N O4 C1[C@@H]([....
45 2CET Ki = 7.5 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
46 2J7B Ki = 174 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
47 4JIE - BMA C6 H12 O6 C([C@@H]1[....
48 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
49 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
50 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
51 3AIS - HBK BGC n/a n/a
52 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
53 4PTX - BGC C6 H12 O6 C([C@@H]1[....
54 4PTV - TCB C12 H22 O10 S C([C@@H]1[....
55 3GNP - SOG C14 H28 O5 S CCCCCCCCS[....
56 5AYI - BGC C6 H12 O6 C([C@@H]1[....
57 1E56 - GLC HBO n/a n/a
58 1E55 Ki = 76 uM DHR C8 H7 N O2 c1cc(ccc1[....
59 1V08 Ki ~ 1 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
60 1E4N - HBO C9 H9 N O5 COc1ccc2c(....
61 1H49 - HBO BGC n/a n/a
62 5GNX - BGC C6 H12 O6 C([C@@H]1[....
63 5GNY - BGC C6 H12 O6 C([C@@H]1[....
64 5GNZ - BGC C6 H12 O6 C([C@@H]1[....
65 2E40 - LGC C6 H10 O6 C([C@@H]1[....
66 3F5K Ki = 0.024 mM CE5 C30 H52 O26 C([C@@H]1[....
67 4QLL Ka = 2400 M^-1 CTT C24 H42 O21 C([C@@H]1[....
68 4QLJ - CTT C24 H42 O21 C([C@@H]1[....
69 3F5J Ki = 0.052 mM CTT C24 H42 O21 C([C@@H]1[....
70 4QLK Ka = 1800 M^-1 CTT C24 H42 O21 C([C@@H]1[....
71 3F5L Ki = 0.191 mM LB2 C12 H22 O11 C([C@@H]1[....
72 3PTQ - NFG C12 H13 F N2 O9 c1cc(c(cc1....
73 4PBG - BGP C6 H13 O9 P C([C@@H]1[....
74 3CMJ - SRT C4 H6 O6 [C@H]([C@H....
75 1V03 - BGC CCN IPH n/a n/a
76 2O9T - BGC C6 H12 O6 C([C@@H]1[....
77 2O9R Ki = 21 mM TCB C12 H22 O10 S C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Ligand no: 2; Ligand: OLA; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 NER 1 1
2 OLA 1 1
3 ELA 1 1
4 PAM 0.939394 1
5 VCA 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 STE 0.71875 0.954545
9 MYR 0.71875 0.954545
10 F23 0.71875 0.954545
11 DAO 0.71875 0.954545
12 11A 0.71875 0.954545
13 TDA 0.71875 0.954545
14 KNA 0.71875 0.954545
15 F15 0.71875 0.954545
16 DKA 0.71875 0.954545
17 DCR 0.71875 0.954545
18 PLM 0.71875 0.954545
19 OCA 0.6875 0.954545
20 ODD 0.675 0.956522
21 RCL 0.625 0.88
22 LNL 0.613636 0.869565
23 SHV 0.606061 0.909091
24 KTC 0.605263 0.84
25 3X1 0.564103 0.863636
26 ODT 0.555556 0.826087
27 T25 0.54717 0.709677
28 AZ1 0.53125 0.615385
29 6NA 0.529412 0.863636
30 10Y 0.529412 0.645161
31 10X 0.529412 0.645161
32 243 0.519231 0.846154
33 OLC 0.519231 0.617647
34 OLB 0.519231 0.617647
35 MVC 0.490566 0.617647
36 ACD 0.488889 0.956522
37 VA 0.478261 0.692308
38 3LA 0.47619 0.769231
39 78N 0.471698 0.617647
40 78M 0.471698 0.617647
41 EOD 0.468085 0.677419
42 MPG 0.45283 0.617647
43 14V 0.444444 0.714286
44 LEA 0.441176 0.772727
45 T24 0.438596 0.769231
46 BRC 0.435897 0.64
47 14U 0.431818 0.678571
48 M12 0.428571 0.833333
49 UNA 0.421053 0.636364
50 8YP 0.421053 0.636364
51 OCD 0.421053 0.636364
Ligand no: 3; Ligand: PLM; 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 : 2E9L; Ligand: OLA; Similar sites found: 61
This union binding pocket(no: 1) in the query (biounit: 2e9l.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZQ9 NOY BGC 0.001353 0.45313 1.49254
2 2VOT NHV 0.0162 0.41675 1.49254
3 4BE9 7P9 0.04487 0.4101 1.49254
4 2OYL IDC 0.00657 0.41001 1.49254
5 2ADD SUC 0.04952 0.40604 1.49254
6 1TV5 N8E 0.01811 0.43008 1.58014
7 2JHP GUN 0.008367 0.4478 1.70576
8 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 0.0009147 0.47847 1.81347
9 3TDC 0EU 0.00001736 0.58562 1.91898
10 5MGD GLC GAL GAL 0.008948 0.41273 1.91898
11 5L77 GUX 0.0106 0.41555 2.22222
12 3AXX CBI 0.006751 0.40951 2.40175
13 4YHG CT3 0.001172 0.47316 2.57069
14 3G58 988 0.03509 0.40671 2.62467
15 3HYW DCQ 0.04234 0.40599 2.7907
16 3WXL ADP 0.03207 0.4157 2.98507
17 4BC5 5FX 0.01452 0.41592 3.41151
18 5A6M XYP XYP 0.008256 0.43523 3.42298
19 5A6M XYP XYP XYS 0.008036 0.43185 3.42298
20 5NGL NOJ BGC 0.006258 0.45028 3.62473
21 4CU7 GIF 0.01704 0.4231 3.83795
22 4WQ2 3SU 0.01218 0.41596 4.04624
23 1ECE BGC BGC BGC BGC 0.01544 0.40212 4.18994
24 4YZT BGC BGC BGC BGC 0.0002591 0.51707 5.33049
25 5OO5 UUA 0.01077 0.42194 5.64516
26 2Y24 XYP XYP GCV XYP 0.01167 0.44049 5.74413
27 2NSX IFM 0.02584 0.41006 5.75693
28 1XC6 GAL 0.01564 0.42503 5.97015
29 2QCX PF1 0.0226 0.42684 6.08365
30 1XMY ROL 0.0298 0.4142 6.28141
31 1XM4 PIL 0.02605 0.40988 6.28141
32 1XMU ROF 0.02938 0.40386 6.28141
33 3II1 BGC 0.00001367 0.64307 6.60981
34 5KOD IAC 0.00911 0.4488 6.60981
35 3B00 16A 0.03991 0.40377 6.61765
36 2CM4 RCL 0.01436 0.40352 6.66667
37 2VWA PTY 0.02534 0.41665 6.93069
38 4WVW SLT 0.001582 0.48484 6.94444
39 4IBF 1D5 0.01658 0.41626 6.97674
40 3OGV PTQ 0.006434 0.43278 7.67591
41 1KWK GAL 0.008825 0.44711 7.75194
42 4YSX E23 0.03778 0.41254 7.80142
43 3ZMR GLO BGC BGC XYS BGC XYS XYS 0.0009605 0.48242 7.88913
44 2XEM SSV 0.03592 0.40617 8
45 3HPY MCT 0.02116 0.42638 8.09062
46 4MPO AMP 0.02487 0.41777 8.49673
47 5I79 CTT 0.004611 0.43978 8.55263
48 4LYQ MAN BMA BMA 0.03524 0.40661 8.68597
49 1UZ4 IFL 0.005176 0.45891 8.86364
50 5V4R MGT 0.03021 0.42186 9.25926
51 3TL1 JRO 0.02817 0.41957 9.43396
52 5LWY OLB 0.03376 0.40084 10.084
53 4FE2 ASP 0.02135 0.41955 10.1961
54 4U5I BXP 0.0005478 0.52033 11.5139
55 5TG5 JW8 0.03193 0.4164 12.2449
56 5H4R CTT 0.000547 0.50033 12.3737
57 3K60 ADP 0.02526 0.42217 12.5561
58 5MWE TCE 0.04869 0.40645 12.8571
59 2JEQ GAL BGC BGC BGC XYS BGC XYS 0.004592 0.43986 12.9114
60 4GGZ BTN 0.03933 0.4007 23.4783
61 2CER PGI 0.000002688 0.52899 42.8571
Pocket No.: 2; Query (leader) PDB : 2E9L; Ligand: PLM; Similar sites found: 63
This union binding pocket(no: 2) in the query (biounit: 2e9l.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.03586 0.41458 None
2 3ZQ9 NOY BGC 0.001612 0.4485 1.49254
3 2VOT NHV 0.01614 0.41582 1.49254
4 2OYL IDC 0.01242 0.4113 1.49254
5 4BE9 7P9 0.04318 0.4101 1.49254
6 2ADD SUC 0.04763 0.40604 1.49254
7 1TV5 N8E 0.02689 0.4197 1.58014
8 2JHP GUN 0.008049 0.4478 1.70576
9 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 0.0008645 0.47847 1.81347
10 3TDC 0EU 0.00001655 0.58562 1.91898
11 5MGD GLC GAL GAL 0.01333 0.40394 1.91898
12 5L77 GUX 0.01007 0.41555 2.22222
13 3AXX CBI 0.006367 0.40951 2.40175
14 4YHG CT3 0.001845 0.46228 2.57069
15 3G58 988 0.03647 0.40487 2.62467
16 3HYW DCQ 0.03551 0.41333 2.7907
17 3WXL ADP 0.03096 0.4157 2.98507
18 4BC5 5FX 0.01399 0.41592 3.41151
19 3SDV 911 0.01755 0.41402 3.41151
20 5A6M XYP XYP 0.007867 0.43523 3.42298
21 5A6M XYP XYP XYS 0.007648 0.43185 3.42298
22 5NGL NOJ BGC 0.005971 0.45028 3.62473
23 4CU7 GIF 0.01629 0.4231 3.83795
24 4WQ2 3SU 0.01604 0.40925 4.04624
25 5EW0 3C7 0.01499 0.43355 4.2735
26 4YZT BGC BGC BGC BGC 0.0002446 0.51707 5.33049
27 5OO5 UUA 0.01025 0.42194 5.64516
28 2Y24 XYP XYP GCV XYP 0.01225 0.43831 5.74413
29 2NSX IFM 0.02472 0.41006 5.75693
30 1XC6 GAL 0.01495 0.42503 5.97015
31 2QCX PF1 0.0217 0.42684 6.08365
32 1XMY ROL 0.02858 0.4142 6.28141
33 1XM4 PIL 0.02817 0.40716 6.28141
34 1XMU ROF 0.02818 0.40379 6.28141
35 3II1 BGC 0.00001294 0.64307 6.60981
36 3B00 16A 0.03828 0.40377 6.61765
37 2CM4 RCL 0.01363 0.40352 6.66667
38 2VWA PTY 0.02683 0.41503 6.93069
39 4WVW SLT 0.001513 0.48484 6.94444
40 4IBF 1D5 0.01582 0.41626 6.97674
41 4ZGM 32M 0.04936 0.40657 7.37705
42 3OGV PTQ 0.009517 0.42349 7.67591
43 1KWK GAL 0.008439 0.44711 7.75194
44 4YSX E23 0.0363 0.41254 7.80142
45 3ZMR GLO BGC BGC XYS BGC XYS XYS 0.000909 0.48242 7.88913
46 2XEM SSV 0.03444 0.40617 8
47 3HPY MCT 0.02029 0.42638 8.09062
48 4MPO AMP 0.02397 0.41777 8.49673
49 5I79 CTT 0.004376 0.43978 8.55263
50 3EYK EYK 0.03471 0.42817 8.72093
51 1UZ4 IFL 0.004953 0.45891 8.86364
52 1ULE GLA GAL NAG 0.04411 0.40481 9.33333
53 3TL1 JRO 0.02704 0.41957 9.43396
54 5LWY OLB 0.03229 0.40084 10.084
55 4FE2 ASP 0.02057 0.41955 10.1961
56 4U5I BXP 0.0005218 0.52033 11.5139
57 5TG5 JW8 0.03069 0.4164 12.2449
58 5H4R CTT 0.0005174 0.50033 12.3737
59 3K60 ADP 0.02423 0.42217 12.5561
60 5MWE TCE 0.04527 0.40726 12.8571
61 2JEQ GAL BGC BGC BGC XYS BGC XYS 0.004357 0.43986 12.9114
62 4GGZ BTN 0.03769 0.4007 23.4783
63 2CER PGI 0.000003238 0.52427 42.8571
Pocket No.: 3; Query (leader) PDB : 2E9L; Ligand: BGC; Similar sites found: 67
This union binding pocket(no: 3) in the query (biounit: 2e9l.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VOT NHV 0.002188 0.45978 1.49254
2 3ZQ9 NOY BGC 0.001648 0.44924 1.49254
3 2OYL IDC 0.003507 0.42154 1.49254
4 4BE9 7P9 0.04487 0.4101 1.49254
5 1TV5 N8E 0.02676 0.4208 1.58014
6 2JHP GUN 0.008367 0.4478 1.70576
7 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 0.0008327 0.48048 1.81347
8 3TDC 0EU 0.00001736 0.58562 1.91898
9 5MGD GLC GAL GAL 0.006637 0.41854 1.91898
10 5L77 GUX 0.007824 0.42168 2.22222
11 3AXX CBI 0.005791 0.41233 2.40175
12 4YHG CT3 0.0008113 0.48104 2.57069
13 3G58 988 0.03803 0.40487 2.62467
14 5LPB ADP 0.04377 0.40165 2.7027
15 3HYW DCQ 0.03688 0.41333 2.7907
16 3WXL ADP 0.03207 0.4157 2.98507
17 2OVW CBI 0.02552 0.42193 3.16302
18 4BC5 5FX 0.01452 0.41592 3.41151
19 5A6M XYP XYP 0.005587 0.44381 3.42298
20 5A6M XYP XYP XYS 0.007077 0.43459 3.42298
21 1I0B PEL 0.02497 0.42651 3.61446
22 5NGL NOJ BGC 0.005507 0.45322 3.62473
23 1W6P NDG GAL 0.01107 0.40978 3.73134
24 4CU7 GIF 0.002617 0.46523 3.83795
25 4WQ2 3SU 0.01685 0.40925 4.04624
26 1ECE BGC BGC BGC BGC 0.01451 0.40332 4.18994
27 5EW0 3C7 0.01565 0.43355 4.2735
28 1QW9 KHP 0.02812 0.40482 4.90405
29 4CD6 IFM BMA 0.04798 0.4068 5
30 4YZT BGC BGC BGC BGC 0.0002049 0.52234 5.33049
31 4C6H HE2 0.04217 0.40991 5.49828
32 2Y24 XYP XYP GCV XYP 0.01069 0.44257 5.74413
33 2NSX IFM 0.01798 0.41808 5.75693
34 1XC6 GAL 0.008069 0.43995 5.97015
35 2QCX PF1 0.0226 0.42684 6.08365
36 1XMY ROL 0.0298 0.4142 6.28141
37 1XM4 PIL 0.02944 0.40716 6.28141
38 1XMU ROF 0.02947 0.40379 6.28141
39 3II1 BGC 0.00001367 0.64307 6.60981
40 3B00 16A 0.03729 0.40532 6.61765
41 2CM4 RCL 0.01436 0.40352 6.66667
42 2VWA PTY 0.0278 0.41503 6.93069
43 4WVW SLT 0.001582 0.48484 6.94444
44 4IBF 1D5 0.01658 0.41626 6.97674
45 3OGV PTQ 0.004745 0.43918 7.67591
46 1KWK GAL 0.007239 0.45178 7.75194
47 4YSX E23 0.03778 0.41254 7.80142
48 3ZMR GLO BGC BGC XYS BGC XYS XYS 0.0008799 0.48434 7.88913
49 2XEM SSV 0.03592 0.40617 8
50 3HPY MCT 0.02116 0.42638 8.09062
51 5I79 CTT 0.004049 0.44251 8.55263
52 4LYQ MAN BMA BMA 0.0259 0.41362 8.68597
53 5D4Y BXP 0.04106 0.41055 8.73239
54 1UZ4 IFL 0.0007414 0.50754 8.86364
55 1ULE GLA GAL NAG 0.02277 0.40885 9.33333
56 3TL1 JRO 0.02817 0.41957 9.43396
57 5LWY OLB 0.03376 0.40084 10.084
58 4FE2 ASP 0.02135 0.41955 10.1961
59 5FU3 BGC BGC BGC 0.03572 0.41505 11.3208
60 4U5I BXP 0.0002896 0.53405 11.5139
61 5TG5 JW8 0.03193 0.4164 12.2449
62 5H4R CTT 0.0001601 0.52786 12.3737
63 3K60 ADP 0.02526 0.42217 12.5561
64 5MWE TCE 0.04707 0.40726 12.8571
65 2JEQ GAL BGC BGC BGC XYS BGC XYS 0.001536 0.46286 12.9114
66 4GGZ BTN 0.03933 0.4007 23.4783
67 2CER PGI 0.0000007238 0.55109 42.8571
Pocket No.: 4; Query (leader) PDB : 2E9L; Ligand: PLM; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2e9l.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback