-->
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 (84)
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 1BGG - GCO C6 H12 O7 C([C@H]([C....
12 1E4I - NFG C12 H13 F N2 O9 c1cc(c(cc1....
13 4EK7 - BGC C6 H12 O6 C([C@@H]1[....
14 3U57 - DH8 C27 H34 N2 O8 C/C=C/1[C@....
15 3U5Y - SCG C17 H24 O10 COC(=O)C1=....
16 5OKK - BGP C6 H13 O9 P C([C@@H]1[....
17 5OKE - BG6 C6 H13 O9 P C([C@@H]1[....
18 5OKR - BG6 C6 H13 O9 P C([C@@H]1[....
19 5OKG - BG6 C6 H13 O9 P C([C@@H]1[....
20 5OKQ - BGP C6 H13 O9 P C([C@@H]1[....
21 5OKS - BG6 C6 H13 O9 P C([C@@H]1[....
22 2ZOX - OLA C18 H34 O2 CCCCCCCCC=....
23 2E9M - OLA C18 H34 O2 CCCCCCCCC=....
24 2E9L - OLA C18 H34 O2 CCCCCCCCC=....
25 3AI0 - PNW C12 H15 N O8 c1cc(ccc1[....
26 4IPN - 1FT C12 H23 O13 P S C([C@@H]1[....
27 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
28 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
29 2J7H Ki = 53 nM AZF C5 H12 N2 O3 C1[C@H]([C....
30 2J7D Ki = 160 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
31 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
32 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
33 2J79 Ki = 640 nM GTL C6 H12 N2 O5 C([C@@H]1[....
34 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
35 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
36 2VRJ Ki = 0.28 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
37 2J7F Ki = 361 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
38 2J77 Ki = 4 uM NOJ C6 H13 N O4 C1[C@@H]([....
39 5OSS Ki = 58 uM AEZ C8 H12 N2 O4 c1[nH]c2c(....
40 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
41 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
42 2J7G Ki = 136 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
43 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
44 2WC4 Ki = 9.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
45 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
46 1OIF Kd = 0.019 uM IFM C6 H13 N O3 C1[C@@H]([....
47 2CES Ki = 138 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
48 2J7E Ki = 114 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
49 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
50 1OIM Kd = 4.762 uM NOJ C6 H13 N O4 C1[C@@H]([....
51 2CET Ki = 7.5 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
52 2J7B Ki = 174 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
53 4JIE - BMA C6 H12 O6 C([C@@H]1[....
54 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
55 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
56 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
57 3AIS - HBK BGC n/a n/a
58 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
59 4PTX - BGC C6 H12 O6 C([C@@H]1[....
60 4PTV - TCB C12 H22 O10 S C([C@@H]1[....
61 3GNP - SOG C14 H28 O5 S CCCCCCCCS[....
62 5AYI - BGC C6 H12 O6 C([C@@H]1[....
63 1E56 - GLC HBO n/a n/a
64 1E55 Ki = 76 uM DHR C8 H7 N O2 c1cc(ccc1[....
65 1V08 Ki ~ 1 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
66 1E4N - HBO C9 H9 N O5 COc1ccc2c(....
67 1H49 - HBO BGC n/a n/a
68 5GNX - BGC C6 H12 O6 C([C@@H]1[....
69 5GNY - BGC C6 H12 O6 C([C@@H]1[....
70 5GNZ - BGC C6 H12 O6 C([C@@H]1[....
71 2E40 - LGC C6 H10 O6 C([C@@H]1[....
72 3F5K Ki = 0.024 mM CE5 C30 H52 O26 C([C@@H]1[....
73 4QLL Ka = 2400 M^-1 CTT C24 H42 O21 C([C@@H]1[....
74 4QLJ - CTT C24 H42 O21 C([C@@H]1[....
75 3F5J Ki = 0.052 mM CTT C24 H42 O21 C([C@@H]1[....
76 4QLK Ka = 1800 M^-1 CTT C24 H42 O21 C([C@@H]1[....
77 3F5L Ki = 0.191 mM LB2 C12 H22 O11 C([C@@H]1[....
78 3PTQ - NFG C12 H13 F N2 O9 c1cc(c(cc1....
79 4PBG - BGP C6 H13 O9 P C([C@@H]1[....
80 3CMJ - SRT C4 H6 O6 [C@H]([C@H....
81 5YIF - 8VR C9 H14 O8 C[C@]1(OC[....
82 1V03 - BGC CCN IPH n/a n/a
83 2O9T - BGC C6 H12 O6 C([C@@H]1[....
84 2O9R Ki = 21 mM TCB C12 H22 O10 S C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 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 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 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 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Ligand no: 2; Ligand: OLA; Similar ligands found: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 OLA 1 1
2 NER 1 1
3 ELA 1 1
4 VCA 0.939394 1
5 PAM 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 DCR 0.71875 0.954545
9 F15 0.71875 0.954545
10 EW8 0.71875 0.954545
11 X90 0.71875 0.954545
12 TDA 0.71875 0.954545
13 DKA 0.71875 0.954545
14 STE 0.71875 0.954545
15 MYR 0.71875 0.954545
16 11A 0.71875 0.954545
17 DAO 0.71875 0.954545
18 KNA 0.71875 0.954545
19 PLM 0.71875 0.954545
20 F23 0.71875 0.954545
21 OCA 0.6875 0.954545
22 ODD 0.675 0.956522
23 RCL 0.625 0.88
24 LNL 0.613636 0.869565
25 SHV 0.606061 0.909091
26 KTC 0.605263 0.84
27 3X1 0.564103 0.863636
28 ODT 0.555556 0.826087
29 T25 0.54717 0.709677
30 AZ1 0.53125 0.615385
31 10X 0.529412 0.645161
32 10Y 0.529412 0.645161
33 6NA 0.529412 0.863636
34 OLB 0.519231 0.617647
35 OLC 0.519231 0.617647
36 243 0.519231 0.846154
37 MVC 0.490566 0.617647
38 ACD 0.488889 0.956522
39 VA 0.478261 0.692308
40 3LA 0.47619 0.769231
41 78M 0.471698 0.617647
42 78N 0.471698 0.617647
43 EOD 0.468085 0.677419
44 MPG 0.45283 0.617647
45 14V 0.444444 0.714286
46 LEA 0.441176 0.772727
47 T24 0.438596 0.769231
48 BRC 0.435897 0.64
49 14U 0.431818 0.678571
50 M12 0.428571 0.833333
51 UNA 0.421053 0.636364
52 OCD 0.421053 0.636364
53 8YP 0.421053 0.636364
54 D0G 0.4 0.913043
55 BNV 0.4 0.913043
56 BMJ 0.4 0.913043
Ligand no: 3; Ligand: PLM; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 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 with APoc: 138
This union binding pocket(no: 1) in the query (biounit: 2e9l.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3KPE TM3 None
3 3ZQ9 NOY BGC 1.49254
4 6D6W GCU 1.49254
5 2VOT NHV 1.49254
6 4BE9 7P9 1.49254
7 2OYL IDC 1.49254
8 2ADD SUC 1.49254
9 1TV5 N8E 1.58014
10 2ATJ BHO 1.62338
11 2JHP GUN 1.70576
12 3UG4 AHR 1.70576
13 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 1.81347
14 3TDC 0EU 1.91898
15 4D1J DGJ 1.91898
16 5OES ADP 1.91898
17 5MGD GLC GAL GAL 1.91898
18 6BR8 6OU 1.98413
19 3H2K BOG 2.01511
20 4UFH GIF 2.1322
21 4JZX 476 2.20994
22 5L77 GUX 2.22222
23 1SLT NDG GAL 2.23881
24 4XCP PLM 2.35294
25 3AXX CBI 2.40175
26 5V13 JH3 2.43056
27 4M3P HCS 2.46305
28 5EY0 GTP 2.55474
29 4YHG CT3 2.57069
30 2BHW NEX 2.58621
31 3G58 988 2.62467
32 2UW1 GVM 2.66272
33 3P9T TCL 2.73973
34 3HYW DCQ 2.7907
35 4DOO DAO 2.92683
36 3WXL ADP 2.98507
37 4AZC NGW 3.16742
38 1ZPD CIT 3.19829
39 1F52 ADP 3.20513
40 5JVB 2PO 3.21429
41 1WMA AB3 3.26087
42 3JRS A8S 3.36538
43 4BC5 5FX 3.41151
44 2VRQ XYP XYP AHR 3.41151
45 5A6M XYP XYP XYS 3.42298
46 5A6M XYP XYP 3.42298
47 1XQP 8HG 3.51562
48 5NGL NOJ BGC 3.62473
49 6CS8 F9Y 3.63036
50 4CU7 GIF 3.83795
51 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 3.91304
52 4WQ2 3SU 4.04624
53 5LX9 OLB 4.22535
54 5BXA MAN 4.32692
55 2Z9V PXM 4.33673
56 5M36 9SZ 4.36681
57 6CB2 OLC 4.43686
58 6D50 GCB 4.47761
59 2PSJ CEI 5.01567
60 1PX8 XYP 5.11727
61 4YZT BGC BGC BGC BGC 5.33049
62 5X3R 7Y3 5.36585
63 5LXB 7A9 5.3719
64 5OO5 UUA 5.64516
65 2Y24 XYP XYP GCV XYP 5.74413
66 2NSX IFM 5.75693
67 5O2J 2PO 5.86081
68 1RV1 IMZ 5.88235
69 1XC6 GAL 5.97015
70 5CX6 CDP 5.97015
71 5I8F ML1 6.06061
72 2OZ5 7XY 6.08108
73 2QCX PF1 6.08365
74 4CQM NAP 6.14754
75 6GMN F4E 6.17284
76 5DZ2 212 6.21302
77 4V03 ADP 6.22568
78 4M82 NGB 6.26566
79 1XMY ROL 6.28141
80 1XM4 PIL 6.28141
81 1XMU ROF 6.28141
82 3SCH TB6 6.56566
83 3WUC GLC GAL 6.56934
84 3II1 BGC 6.60981
85 5KOD IAC 6.60981
86 3B00 16A 6.61765
87 2CM4 RCL 6.66667
88 3OJI PYV 6.87831
89 2VWA PTY 6.93069
90 4WVW SLT 6.94444
91 4IBF 1D5 6.97674
92 4K55 H6P 7.25806
93 5XK9 GST 7.32759
94 6GL0 GLC BGC BGC 7.55287
95 3OGV PTQ 7.67591
96 1KWK GAL 7.75194
97 4YSX E23 7.80142
98 4YLZ LAT NAG GAL 7.84314
99 3ZMR GLO BGC BGC XYS BGC XYS XYS 7.88913
100 2XEM SSV 8
101 3HPY MCT 8.09062
102 6C0B PAM 8.10235
103 4UOZ GLA 8.31557
104 1CEN BGC BGC 8.45481
105 4MPO AMP 8.49673
106 3N7S 3N7 8.69565
107 5C1M OLC 8.8
108 1UZ4 IFL 8.86364
109 1TUK PGM 8.95522
110 5V4R MGT 9.25926
111 3AYS CT3 9.30851
112 3TL1 JRO 9.43396
113 1TIQ COA 9.44444
114 4OR7 25U 9.69697
115 4YGF AZM 9.82906
116 5LWY OLB 10.084
117 4FE2 ASP 10.1961
118 1U25 IHS 10.6825
119 4U5I BXP 11.5139
120 2BCG GER 12.1359
121 5TG5 JW8 12.2449
122 5H4R CTT 12.3737
123 3K60 ADP 12.5561
124 5MWE TCE 12.8571
125 2JEQ GAL BGC BGC BGC XYS BGC XYS 12.9114
126 4E8C GAL 13.7815
127 1NWW HPN 14.094
128 4ETZ C2E 15.8249
129 5TVI MYR 17.3913
130 3OYW TDG 18.6567
131 5C9J DAO 21.2121
132 4GGZ BTN 23.4783
133 5C8W PCG 25.8741
134 2WOR 2AN 29
135 5Z84 CHD 32.1429
136 5W97 CHD 32.1429
137 5ZCO CHD 32.1429
138 2CER PGI 42.8571
Pocket No.: 2; Query (leader) PDB : 2E9L; Ligand: PLM; Similar sites found with APoc: 145
This union binding pocket(no: 2) in the query (biounit: 2e9l.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3KPE TM3 None
3 3ZQ9 NOY BGC 1.49254
4 6D6W GCU 1.49254
5 2OYL IDC 1.49254
6 4BE9 7P9 1.49254
7 2VOT NHV 1.49254
8 2ADD SUC 1.49254
9 1TV5 N8E 1.58014
10 2JHP GUN 1.70576
11 5IM3 DTP 1.70576
12 3UG4 AHR 1.70576
13 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 1.81347
14 3TDC 0EU 1.91898
15 4D1J DGJ 1.91898
16 5MGD GLC GAL GAL 1.91898
17 6BR8 6OU 1.98413
18 3H2K BOG 2.01511
19 4UFH GIF 2.1322
20 4JZX 476 2.20994
21 5L77 GUX 2.22222
22 1SLT NDG GAL 2.23881
23 5AZC PGT 2.33333
24 4XCP PLM 2.35294
25 3AXX CBI 2.40175
26 4M3P HCS 2.46305
27 5EY0 GTP 2.55474
28 4YHG CT3 2.57069
29 2BHW NEX 2.58621
30 3G58 988 2.62467
31 2UW1 GVM 2.66272
32 3P9T TCL 2.73973
33 3HYW DCQ 2.7907
34 4DOO DAO 2.92683
35 3WXL ADP 2.98507
36 1ZPD CIT 3.19829
37 1F52 ADP 3.20513
38 1WMA AB3 3.26087
39 3JRS A8S 3.36538
40 4BC5 5FX 3.41151
41 3SDV 911 3.41151
42 2VRQ XYP XYP AHR 3.41151
43 5A6M XYP XYP XYS 3.42298
44 5A6M XYP XYP 3.42298
45 1XQP 8HG 3.51562
46 4G86 BNT 3.52113
47 1I0B PEL 3.61446
48 5NGL NOJ BGC 3.62473
49 6CS8 F9Y 3.63036
50 5KAU RHQ 3.63636
51 4CU7 GIF 3.83795
52 4WQ2 3SU 4.04624
53 2E0P CTT 4.05117
54 5LX9 OLB 4.22535
55 2ZSC BTN 4.25532
56 5EW0 3C7 4.2735
57 5BXA MAN 4.32692
58 6CB2 OLC 4.43686
59 6D50 GCB 4.47761
60 4I90 CHT 4.62046
61 2PSJ CEI 5.01567
62 1PX8 XYP 5.11727
63 1RJW ETF 5.30973
64 4YZT BGC BGC BGC BGC 5.33049
65 5X3R 7Y3 5.36585
66 5LXB 7A9 5.3719
67 5OO5 UUA 5.64516
68 2Y24 XYP XYP GCV XYP 5.74413
69 2NSX IFM 5.75693
70 5O2J 2PO 5.86081
71 1RV1 IMZ 5.88235
72 1XC6 GAL 5.97015
73 5CX6 CDP 5.97015
74 2H6B 3C4 6
75 2OZ5 7XY 6.08108
76 2QCX PF1 6.08365
77 4CQM NAP 6.14754
78 6GMN F4E 6.17284
79 5DZ2 212 6.21302
80 4V03 ADP 6.22568
81 4M82 NGB 6.26566
82 1XMY ROL 6.28141
83 1XM4 PIL 6.28141
84 1XMU ROF 6.28141
85 5XJ7 87O 6.46766
86 3SCH TB6 6.56566
87 3WUC GLC GAL 6.56934
88 3II1 BGC 6.60981
89 3B00 16A 6.61765
90 2CM4 RCL 6.66667
91 2RH1 CLR 6.82303
92 2VWA PTY 6.93069
93 4WVW SLT 6.94444
94 4IBF 1D5 6.97674
95 4K55 H6P 7.25806
96 5XK9 GST 7.32759
97 4ZGM 32M 7.37705
98 6GL0 GLC BGC BGC 7.55287
99 3OGV PTQ 7.67591
100 1KWK GAL 7.75194
101 4YSX E23 7.80142
102 4YLZ LAT NAG GAL 7.84314
103 3ZMR GLO BGC BGC XYS BGC XYS XYS 7.88913
104 2XEM SSV 8
105 3HPY MCT 8.09062
106 6C0B PAM 8.10235
107 4UOZ GLA 8.31557
108 1CEN BGC BGC 8.45481
109 4MPO AMP 8.49673
110 1FHW I5P 8.52713
111 3EYK EYK 8.72093
112 5C1M OLC 8.8
113 5C1M CLR 8.8
114 1UZ4 IFL 8.86364
115 1TUK PGM 8.95522
116 3AYS CT3 9.30851
117 1ULE GLA GAL NAG 9.33333
118 3TL1 JRO 9.43396
119 1TIQ COA 9.44444
120 4OR7 25U 9.69697
121 4YGF AZM 9.82906
122 5LWY OLB 10.084
123 4FE2 ASP 10.1961
124 1U25 IHS 10.6825
125 4U5I BXP 11.5139
126 2BCG GER 12.1359
127 5TG5 JW8 12.2449
128 5H4R CTT 12.3737
129 3K60 ADP 12.5561
130 5MWE TCE 12.8571
131 2JEQ GAL BGC BGC BGC XYS BGC XYS 12.9114
132 4E8C GAL 13.7815
133 1NWW HPN 14.094
134 4ETZ C2E 15.8249
135 5TVI MYR 17.3913
136 3OYW TDG 18.6567
137 4OGQ 7PH 21.6216
138 4GGZ BTN 23.4783
139 2Y69 CHD 23.6842
140 5C8W PCG 25.8741
141 2WOR 2AN 29
142 5W97 CHD 32.1429
143 5Z84 CHD 32.1429
144 5ZCO CHD 32.1429
145 2CER PGI 42.8571
Pocket No.: 3; Query (leader) PDB : 2E9L; Ligand: BGC; Similar sites found with APoc: 155
This union binding pocket(no: 3) in the query (biounit: 2e9l.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3KPE TM3 None
3 6D6W GCU 1.49254
4 2VOT NHV 1.49254
5 3ZQ9 NOY BGC 1.49254
6 2OYL IDC 1.49254
7 4BE9 7P9 1.49254
8 1TV5 N8E 1.58014
9 2JHP GUN 1.70576
10 5IM3 DTP 1.70576
11 3UG4 AHR 1.70576
12 5YX4 HCC 1.72414
13 4W8B GLC BGC BGC XYS BGC XYS XYS GAL 1.81347
14 3TDC 0EU 1.91898
15 4D1J DGJ 1.91898
16 5MGD GLC GAL GAL 1.91898
17 6BR8 6OU 1.98413
18 3H2K BOG 2.01511
19 4UFH GIF 2.1322
20 4JJJ CBK 2.1322
21 4JZX 476 2.20994
22 5L77 GUX 2.22222
23 1SLT NDG GAL 2.23881
24 5AZC PGT 2.33333
25 4XCP PLM 2.35294
26 3AXX CBI 2.40175
27 4M3P HCS 2.46305
28 5EY0 GTP 2.55474
29 4YHG CT3 2.57069
30 2BHW NEX 2.58621
31 3G58 988 2.62467
32 5LPB ADP 2.7027
33 3P9T TCL 2.73973
34 3HYW DCQ 2.7907
35 4DOO DAO 2.92683
36 3WXL ADP 2.98507
37 2OVW CBI 3.16302
38 1ZPD CIT 3.19829
39 1F52 ADP 3.20513
40 1WMA AB3 3.26087
41 3JRS A8S 3.36538
42 2VRQ XYP XYP AHR 3.41151
43 4BC5 5FX 3.41151
44 3SDV 911 3.41151
45 5A6M XYP XYP XYS 3.42298
46 5A6M XYP XYP 3.42298
47 1XQP 8HG 3.51562
48 4G86 BNT 3.52113
49 5W7B MYR 3.5545
50 1I0B PEL 3.61446
51 5NGL NOJ BGC 3.62473
52 6CS8 F9Y 3.63036
53 5KAU RHQ 3.63636
54 1W6P NDG GAL 3.73134
55 4CU7 GIF 3.83795
56 4WQ2 3SU 4.04624
57 2E0P CTT 4.05117
58 1ECE BGC BGC BGC BGC 4.18994
59 5LX9 OLB 4.22535
60 2ZSC BTN 4.25532
61 5EW0 3C7 4.2735
62 6CB2 OLC 4.43686
63 3EW2 BTN 4.44444
64 6D50 GCB 4.47761
65 4I90 CHT 4.62046
66 4CD6 IFM BMA 5
67 2PSJ CEI 5.01567
68 4B5W PYR 5.07812
69 4MJ0 SIA SIA 5.09091
70 1PX8 XYP 5.11727
71 1RJW ETF 5.30973
72 4YZT BGC BGC BGC BGC 5.33049
73 5X3R 7Y3 5.36585
74 5LXB 7A9 5.3719
75 4C6H HE2 5.49828
76 2NSX IFM 5.75693
77 5O2J 2PO 5.86081
78 1RV1 IMZ 5.88235
79 1XC6 GAL 5.97015
80 5CX6 CDP 5.97015
81 2H6B 3C4 6
82 2OZ5 7XY 6.08108
83 2QCX PF1 6.08365
84 4CQM NAP 6.14754
85 6GMN F4E 6.17284
86 4V03 ADP 6.22568
87 4M82 NGB 6.26566
88 1XMY ROL 6.28141
89 1XM4 PIL 6.28141
90 1XMU ROF 6.28141
91 5K21 6QF 6.38298
92 5XJ7 87O 6.46766
93 3SCH TB6 6.56566
94 3II1 BGC 6.60981
95 3B00 16A 6.61765
96 2CM4 RCL 6.66667
97 2RH1 CLR 6.82303
98 2VWA PTY 6.93069
99 4WVW SLT 6.94444
100 4IBF 1D5 6.97674
101 4K55 H6P 7.25806
102 5XK9 GST 7.32759
103 6GL0 GLC BGC BGC 7.55287
104 3OGV PTQ 7.67591
105 1KWK GAL 7.75194
106 4YSX E23 7.80142
107 4YLZ LAT NAG GAL 7.84314
108 3ZMR GLO BGC BGC XYS BGC XYS XYS 7.88913
109 2XEM SSV 8
110 3HPY MCT 8.09062
111 6C0B PAM 8.10235
112 4UOZ GLA 8.31557
113 1CEN BGC BGC 8.45481
114 1FHW I5P 8.52713
115 5I79 CTT 8.55263
116 4LYQ MAN BMA BMA 8.68597
117 5D4Y BXP 8.73239
118 3VV1 GAL FUC 8.75
119 5C1M OLC 8.8
120 5C1M CLR 8.8
121 1UZ4 IFL 8.86364
122 1TUK PGM 8.95522
123 3AYS CT3 9.30851
124 1ULE GLA GAL NAG 9.33333
125 3TL1 JRO 9.43396
126 1TIQ COA 9.44444
127 4OR7 25U 9.69697
128 4YGF AZM 9.82906
129 5LWY OLB 10.084
130 4FE2 ASP 10.1961
131 1U25 IHS 10.6825
132 5FU3 BGC BGC BGC 11.3208
133 4U5I BXP 11.5139
134 1ONI BEZ 11.5942
135 2BCG GER 12.1359
136 5TG5 JW8 12.2449
137 5H4R CTT 12.3737
138 3K60 ADP 12.5561
139 5MWE TCE 12.8571
140 2JEQ GAL BGC BGC BGC XYS BGC XYS 12.9114
141 1NWW HPN 14.094
142 4ETZ C2E 15.8249
143 3RJY GLC 15.9375
144 5TVI MYR 17.3913
145 3OYW TDG 18.6567
146 4JNJ BTN 19.1304
147 4OGQ 7PH 21.6216
148 4GGZ BTN 23.4783
149 2Y69 CHD 23.6842
150 5C8W PCG 25.8741
151 2WOR 2AN 29
152 5W97 CHD 32.1429
153 5Z84 CHD 32.1429
154 5ZCO CHD 32.1429
155 2CER PGI 42.8571
Pocket No.: 4; Query (leader) PDB : 2E9L; Ligand: PLM; Similar sites found with APoc: 103
This union binding pocket(no: 4) in the query (biounit: 2e9l.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 2YNC YNC 1.04167
3 4C2X NHW 1.21951
4 4EIL NDP 1.49254
5 2BJ4 OHT 1.5873
6 3B2Q AES 1.70576
7 4ORM ORO 1.74564
8 4ORM FMN 1.74564
9 4ORM 2V6 1.74564
10 3EE4 MYR 1.85759
11 5U97 PIT 1.91898
12 1J78 VDY 1.96507
13 6BR8 PGV 1.98413
14 2JBM SRT 2.00669
15 3W54 RNB 2.12766
16 5GLN XYP XYP XYP 2.32558
17 4Z87 GDP 2.34542
18 4ZBR NPS 2.34542
19 4ZBR DIF 2.34542
20 4QWT ACD 2.34542
21 1H0A I3P 2.53165
22 3B9Z CO2 2.57732
23 3E70 GDP 2.7439
24 1IYK MYA 2.80612
25 1USF NAP 2.80899
26 1P0H ACO 2.83019
27 4LPG 1MV 2.93333
28 3SFI 3SF 2.9661
29 1NU4 MLA 3.09278
30 3V66 D3A 3.23529
31 3O01 DXC 3.24675
32 2OFV 242 3.2491
33 1R6N 434 3.31754
34 4DDY DN6 3.42205
35 3LDW ZOL 3.53535
36 4URG C2E 3.59281
37 2QE4 JJ3 3.62903
38 3Q2H QHF 3.7037
39 3RMK BML 3.83795
40 1IBR GNP 3.8961
41 2E2R 2OH 4.09836
42 4YV5 SVR 4.09836
43 2FV5 541 4.21456
44 5DEP UD1 4.26357
45 4V3I ASP LEU THR ARG PRO 4.28016
46 4Q0A 4OA 4.30464
47 5IF4 6AK 4.40252
48 6BA2 7KM 4.40678
49 5GQI CTP 4.45344
50 3PF7 MLA 4.69083
51 2FP2 TSA 4.81928
52 2ZKJ ADP 4.82234
53 3LN0 52B 4.90405
54 6CC0 EWM 5.06329
55 4D7M TDC 5.06912
56 5A96 GTP 5.22088
57 1LR8 IHS 5.40541
58 6FTB M0E 5.71429
59 3WCA FPS 5.75342
60 2GJ3 FAD 5.83333
61 4WGF HX2 5.85366
62 1U9Q 186 6.04651
63 3X01 AMP 6.10687
64 3B9Q MLI 6.29139
65 3KEE 30B 6.31579
66 1XPJ TLA 6.34921
67 5OSW DIU 6.39659
68 3ICT COA 6.39659
69 3P8N L4T 6.45161
70 5XNA SHV 6.52174
71 1LDM NAD 6.68693
72 4OIV XX9 7.07965
73 2OBM ADP 7.20461
74 3KRO DST 7.29927
75 3KRO IPE 7.29927
76 1GEG GLC 7.42188
77 1CMC SAM 7.69231
78 1HBK COA 7.86517
79 1RL4 BL5 7.97872
80 5NTP 98E 7.98319
81 1H9G COA MYR 8.23045
82 5V4R MGT 9.25926
83 2YFB SIN 9.30233
84 1LNX URI 9.87654
85 1T0S BML 10.6061
86 2J8C U10 10.6762
87 4RW3 PLM 10.9272
88 5IXK 6EW 10.9649
89 1FM9 570 11.0294
90 2GWH PCI 11.0738
91 2FKW RG1 11.3208
92 3T6E UQ9 11.6279
93 2AX9 BHM 13.2812
94 5NM7 GLY 13.5338
95 1RGE 2GP 13.5417
96 3WYF GTP 13.8655
97 4OGQ 2WA 21.6216
98 3KO0 TFP 21.7822
99 3KP6 SAL 21.8543
100 2DYR PGV 32.1429
101 5ZCO PGV 32.1429
102 5Z84 PGV 32.1429
103 2DYS PGV 32.1429
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