Receptor
PDB id Resolution Class Description Source Keywords
4APH 1.99 Å EC: 3.4.15.1 HUMAN ANGIOTENSIN-CONVERTING ENZYME IN COMPLEX WITH ANGIOTEN HOMO SAPIENS HYDROLASE-HORMONE COMPLEX ZINC METALLOPROTEASE METALLOPEPT
Ref.: MOLECULAR RECOGNITION AND REGULATION OF HUMAN ANGIO CONVERTING ENZYME (ACE) ACTIVITY BY NATURAL INHIBIT PEPTIDES. SCI.REP. V. 2 717 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1634;
A:1635;
A:1636;
A:1637;
A:1638;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ASP ARG VAL TYR ILE HIS PRO PHE P:1;
Valid;
none;
Ki = 4 uM
1046.2 n/a O=C([...
CL A:1626;
A:1628;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
NAG A:1630;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG BMA A:1631;
Invalid;
none;
submit data
570.545 n/a O=C(N...
PE4 A:1629;
Invalid;
none;
submit data
354.436 C16 H34 O8 CCOCC...
ZN A:1627;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4CA5 1.85 Å EC: 3.4.15.1 HUMAN ANGIOTENSIN CONVERTING ENZYME IN COMPLEX WITH A PHOSPHINIC TRIPEPTIDE FI HOMO SAPIENS HYDROLASE ZINC METALLOPEPTIDASE INHIBITOR BINDING
Ref.: CRYSTAL STRUCTURES OF HIGHLY SPECIFIC PHOSPHINIC TR ENANTIOMERS IN COMPLEX WITH THE ANGIOTENSIN-I CONVE ENZYME. FEBS J. V. 281 943 2014
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1UZF - MCO C9 H15 N O3 S C[C@H](CS)....
2 3BKK Ki = 0.83 uM KAF C28 H30 N2 O6 c1ccc(cc1)....
3 1O8A - NXA C4 H7 N O4 C[C@@H](C(....
4 2XY9 Ki = 0.41 nM 3ES C38 H38 N3 O9 P c1ccc(cc1)....
5 3L3N - LSW C27 H34 N4 O5 c1ccc(cc1)....
6 1UZE - EAL C18 H24 N2 O5 C[C@@H](C(....
7 4BZR - K26 C25 H34 N3 O8 P CC[C@H](C)....
8 4APH Ki = 4 uM ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
9 2YDM ic50 = 36.4 nM SLC C9 H13 N O3 Se C=C(C[SeH]....
10 1O86 - GLY C2 H5 N O2 C(C(=O)O)N
11 3BKL Ki = 0.679 uM KAW C30 H31 N3 O6 c1ccc(cc1)....
12 4CA5 Ki = 0.41 nM 3EF C38 H38 N3 O9 P c1ccc(cc1)....
13 4C2P - X8Z C9 H15 N O3 S C[C@H](CS)....
14 2OC2 Ki = 3 nM RX3 C33 H36 N3 O7 P c1ccc(cc1)....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1UZF - MCO C9 H15 N O3 S C[C@H](CS)....
2 3BKK Ki = 0.83 uM KAF C28 H30 N2 O6 c1ccc(cc1)....
3 1O8A - NXA C4 H7 N O4 C[C@@H](C(....
4 2XY9 Ki = 0.41 nM 3ES C38 H38 N3 O9 P c1ccc(cc1)....
5 3L3N - LSW C27 H34 N4 O5 c1ccc(cc1)....
6 1UZE - EAL C18 H24 N2 O5 C[C@@H](C(....
7 4BZR - K26 C25 H34 N3 O8 P CC[C@H](C)....
8 4APH Ki = 4 uM ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
9 2YDM ic50 = 36.4 nM SLC C9 H13 N O3 Se C=C(C[SeH]....
10 1O86 - GLY C2 H5 N O2 C(C(=O)O)N
11 3BKL Ki = 0.679 uM KAW C30 H31 N3 O6 c1ccc(cc1)....
12 4CA5 Ki = 0.41 nM 3EF C38 H38 N3 O9 P c1ccc(cc1)....
13 4C2P - X8Z C9 H15 N O3 S C[C@H](CS)....
14 2OC2 Ki = 3 nM RX3 C33 H36 N3 O7 P c1ccc(cc1)....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5AMB - MET VAL GLY GLY VAL VAL ILE ALA n/a n/a
2 4CA6 Ki = 180 nM 3EF C38 H38 N3 O9 P c1ccc(cc1)....
3 2XYD Ki = 180 nM 3ES C38 H38 N3 O9 P c1ccc(cc1)....
4 4BZS Ki = 75 nM K26 C25 H34 N3 O8 P CC[C@H](C)....
5 5AMA - ASP SER n/a n/a
6 4UFB - LYS PRO n/a n/a
7 3NXQ - RX4 C21 H31 N4 O8 P C[C@H](C[P....
8 5AM9 - GLU VAL n/a n/a
9 5AM8 - PHE ARG HIS ASP SER GLY TYR n/a n/a
10 4BXK Ki = 11.21 nM 1IU C19 H29 N8 O5 P C[C@H](CP(....
11 4UFA - SAC ASP n/a n/a
12 3ZQZ - SLC C9 H13 N O3 Se C=C(C[SeH]....
13 2X8Z Ki = 11 nM X8Z C9 H15 N O3 S C[C@H](CS)....
14 2X97 Ki = 2200 nM RX4 C21 H31 N4 O8 P C[C@H](C[P....
15 2X93 - X93 C22 H30 N2 O5 C[C@@H](C(....
16 1J36 Ki = 18 nM LPR C21 H31 N3 O5 c1ccc(cc1)....
17 2X96 Ki = 94 uM RX3 C33 H36 N3 O7 P c1ccc(cc1)....
18 5A2R - MLT C4 H6 O5 C([C@H](C(....
19 4AA1 Ki = 76 uM ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
20 2X90 - EAL C18 H24 N2 O5 C[C@@H](C(....
21 2X92 - X92 C21 H28 N2 O5 C[C@@H](C(....
22 1J37 Ki = 1.1 nM MCO C9 H15 N O3 S C[C@H](CS)....
23 4CA8 Ki = 120 nM 3ES C38 H38 N3 O9 P c1ccc(cc1)....
24 2X8Y - FLC C6 H5 O7 C(C(=O)[O-....
25 2X94 - X94 C17 H28 N2 O5 CCC[C@@H](....
26 4CA7 Ki = 24 nM 3EF C38 H38 N3 O9 P c1ccc(cc1)....
27 4ASQ - ARG PRO PRO GLY PHE SER PRO PHE ARG n/a n/a
28 2XHM - K26 C25 H34 N3 O8 P CC[C@H](C)....
29 2X95 - X95 C27 H34 N4 O5 c1ccc(cc1)....
30 4ASR - ARG PRO PRO GLY PHE THR PRO PHE ARG n/a n/a
31 2X91 Ki = 180 nM LPR C21 H31 N3 O5 c1ccc(cc1)....
32 1UZF - MCO C9 H15 N O3 S C[C@H](CS)....
33 3BKK Ki = 0.83 uM KAF C28 H30 N2 O6 c1ccc(cc1)....
34 1O8A - NXA C4 H7 N O4 C[C@@H](C(....
35 2XY9 Ki = 0.41 nM 3ES C38 H38 N3 O9 P c1ccc(cc1)....
36 3L3N - LSW C27 H34 N4 O5 c1ccc(cc1)....
37 1UZE - EAL C18 H24 N2 O5 C[C@@H](C(....
38 4BZR - K26 C25 H34 N3 O8 P CC[C@H](C)....
39 4APH Ki = 4 uM ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
40 2YDM ic50 = 36.4 nM SLC C9 H13 N O3 Se C=C(C[SeH]....
41 1O86 - GLY C2 H5 N O2 C(C(=O)O)N
42 3BKL Ki = 0.679 uM KAW C30 H31 N3 O6 c1ccc(cc1)....
43 4CA5 Ki = 0.41 nM 3EF C38 H38 N3 O9 P c1ccc(cc1)....
44 4C2P - X8Z C9 H15 N O3 S C[C@H](CS)....
45 2OC2 Ki = 3 nM RX3 C33 H36 N3 O7 P c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP ARG VAL TYR ILE HIS PRO PHE; Similar ligands found: 227
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP ARG VAL TYR ILE HIS PRO PHE 1 1
2 VAL TYR ILE HIS PRO PHE 0.658065 0.861111
3 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.644172 0.891892
4 SER HIS PRO ARG PRO ILE ARG VAL 0.603774 0.855263
5 TYR TYR SER ILE ILE PRO HIS SER ILE 0.580247 0.842105
6 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.580247 0.842105
7 DHI PRO PHE HIS LEU LEU VAL TYR 0.575581 0.861111
8 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.563636 0.828947
9 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.55618 0.92
10 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.55618 0.945946
11 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.554913 0.888889
12 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.552486 0.87013
13 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.548387 0.933333
14 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.547059 0.881579
15 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.543011 0.918919
16 LEU PRO PHE ASP ARG THR THR ILE MET 0.54023 0.822785
17 TYR TYR SER ILE ALA PRO HIS SER ILE 0.538462 0.818182
18 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.538012 0.835616
19 HIS SER ILE THR TYR LEU LEU PRO VAL 0.537572 0.842105
20 PRO HIS PRO PHE HIS STA VAL ILE HIS LYS 0.537234 0.837838
21 ALA ARG SER HIS SEP TYR PRO ALA 0.537143 0.804878
22 TYR PRO LYS ARG ILE ALA 0.530864 0.902778
23 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.528736 0.876712
24 PHE SER HIS PRO GLN ASN THR 0.524096 0.789474
25 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.524096 0.890411
26 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.522727 0.864865
27 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.521739 0.863014
28 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.520468 0.875
29 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.519774 0.875
30 TRP MET ASP PHE ASP ASP ASP ILE PRO PHE 0.517241 0.722222
31 TRP ASP ILE PRO PHE 0.517241 0.722222
32 LEU PRO PHE GLU ARG ALA THR ILE MET 0.516484 0.833333
33 PHE ASN PHE PRO GLN ILE THR 0.515528 0.786667
34 ARG TYR PRO LEU THR PHE GLY TRP 0.513369 0.933333
35 LEU PHE GLY TYR PRO VAL TYR VAL 0.512048 0.833333
36 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.511765 0.731707
37 LYS ARG ARG ARG HIS PRO SER GLY 0.509202 0.789474
38 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.508772 0.763889
39 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.508571 0.861111
40 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.508287 0.906667
41 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.508197 0.776316
42 DTY ILE ARG LEU LPD 0.50625 0.888889
43 SER ARG ASP HIS SER ARG THR PRO MET 0.505618 0.8125
44 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.505556 0.863014
45 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.505556 0.886076
46 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.502959 0.881579
47 ARG LEU TYR HIS SEP LEU PRO ALA 0.502793 0.839506
48 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.5 0.833333
49 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.5 0.842105
50 LYS ARG ARG ARG HIS PRO SER 0.5 0.773333
51 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.5 0.833333
52 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.497297 0.768293
53 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.494382 0.818182
54 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.494318 0.847222
55 LEU PRO PHE GLU ARG ALA THR VAL MET 0.491803 0.820513
56 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.491329 0.833333
57 SER SER TYR ARG ARG PRO VAL GLY ILE 0.488636 0.881579
58 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.488506 0.810811
59 ARG HIS ARG MLZ VAL LEU ARG ASP ASN TYR 0.486034 0.807692
60 ARG HIS ARG MLY VAL LEU ARG ASP TYR 0.485714 0.857143
61 TYR HIS SEP VAL VAL ARG TYR ALA 0.485549 0.753086
62 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.484663 0.75
63 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.483871 0.893333
64 DPN PRO DAR ILE NH2 0.48366 0.791667
65 ARG SEP PRO VAL PHE SER 0.482558 0.728395
66 SER ASP ILE LEU PHE PRO ALA ASP SER 0.481928 0.736842
67 ARG PHE PRO LEU THR PHE GLY TRP 0.481283 0.906667
68 PHE ASN ARG PRO VAL 0.481013 0.835616
69 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.481013 0.763889
70 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.48 0.909091
71 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.48 0.905405
72 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.479798 0.917808
73 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.475138 0.875
74 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.47486 0.815789
75 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.474576 0.802632
76 VAL PRO LEU ARG PRO MET THR TYR 0.474576 0.835443
77 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.474286 0.717647
78 ALA ILE ALA TYR PHE ILE PRO ASP GLN ALA 0.473684 0.833333
79 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.472826 0.933333
80 GLU LEU PRO PRO VAL LYS ILE HIS CYS 0.47027 0.783784
81 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.470238 0.767123
82 GLN ASN TYR PRO ILE VAL GLN 0.46988 0.835616
83 TRP GLU TYR ILE PRO ASN VAL 0.469613 0.878378
84 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.467391 0.837838
85 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.467033 0.88
86 VAL MET ALA PRO ARG THR LEU PHE LEU 0.466667 0.797468
87 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.466667 0.805556
88 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.464646 0.883117
89 ACE PHE HIS PRO ALA NH2 0.464516 0.726027
90 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.463687 0.797468
91 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.463542 0.891892
92 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.462428 0.767123
93 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.462366 0.84
94 GLU ALA ASP PRO THR GLY HIS SER TYR 0.462366 0.815789
95 LEU PRO PHE ASP LYS THR THR ILE MET 0.461111 0.721519
96 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.457627 0.756757
97 BOC HIS PRO PHE HIS LOV ILE HIS 0.457447 0.805195
98 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.456647 0.808219
99 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.456647 0.824324
100 ASP ALA GLU PHE ARG HIS ASP 0.45625 0.763889
101 DVA DPR GLY DSN DGN DHI DTY DAS DSN 0.456044 0.842105
102 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.455959 0.848101
103 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.455882 0.896104
104 DPN PRO DAR DTH NH2 0.455128 0.794521
105 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.452632 0.918919
106 LEU PRO PHE ASP LYS SER THR ILE MET 0.451613 0.725
107 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.451087 0.741176
108 SER PRO LYS ARG ILE ALA 0.450617 0.810811
109 MET TYR TRP TYR PRO TYR 0.450292 0.753247
110 BOC HIS PRO PHE ALA LOV ILE HIS 0.450262 0.805195
111 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.448864 0.837838
112 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.448649 0.775
113 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.447514 0.826667
114 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.446429 0.776316
115 ASP ALA GLU PHE ARG HIS ASP SER 0.446429 0.763889
116 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.446429 0.802632
117 SER GLU LEU GLU ILE LYS ARG TYR 0.446429 0.76
118 HIS HIS ALA SER PRO ARG LYS 0.446328 0.824324
119 ACE ALA PRO GLN VAL STA VAL MET HIS PRO 0.445652 0.75
120 VAL TYR PRO IAS HIS ALA 0.445087 0.847222
121 ARG PRO MET THR TYR LYS GLY ALA LEU 0.445026 0.848101
122 ARG PRO LYS ARG ILE ALA 0.444444 0.794521
123 GLU GLU ASN LEU LEU ASP PHE VAL ARG PHE 0.444444 0.716216
124 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.44382 0.819444
125 ASN ARG PRO ILE LEU SER LEU 0.443114 0.815789
126 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.442529 0.763889
127 PCA PHE ARG HIS ASP SER GLY TYR GLU VAL 0.441624 0.828947
128 ALA LYS PHE ARG HIS ASP 0.440994 0.777778
129 SER GLU ILE GLU PHE ALA ARG LEU 0.440476 0.68
130 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.440217 0.930556
131 LEU ASN PHE PRO ILE SER PRO 0.439759 0.789474
132 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.439394 0.807692
133 ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU 0.439153 0.741176
134 PCA PHE ARG HIS ASP SER 0.43787 0.777778
135 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.437158 0.837838
136 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.437126 0.72973
137 SER ASP TYR GLN ARG LEU 0.435897 0.75
138 THR PRO TYR ASP ILE ASN GLN MET LEU 0.435484 0.772152
139 ARG PRO MET THR PHE LYS GLY ALA LEU 0.434555 0.810127
140 SER SER PHE TYR PRO SEP ALA GLU GLY 0.434286 0.716049
141 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.433862 0.835443
142 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.433526 0.794521
143 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.432836 0.792683
144 SER SER ILE GLU PHE ALA ARG LEU 0.432749 0.671053
145 PHE CYS HIS PRO GLN ASN THR NH2 0.431953 0.75
146 PHE ARG TYR LEU GLY 0.43125 0.777778
147 ARG ABA VAL ILE PHE ALA ASN ILE 0.431138 0.69863
148 GLU LEU LYS ARG LYS MET ILE TYR MET 0.431034 0.736842
149 ILE THR ASP GLN VAL PRO PHE SER VAL 0.430939 0.763158
150 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.430939 0.853333
151 ARG TYR GLY PHE VAL ALA ASN PHE 0.430233 0.780822
152 ILE SER PRO ARG THR LEU ASP ALA TRP 0.43 0.883117
153 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.429379 0.765432
154 DPN PRO ARG 0.426667 0.75
155 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.426396 0.810811
156 ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.426316 0.866667
157 GLU ARG THR ILE PRO ILE THR ARG GLU 0.426035 0.826667
158 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.425641 0.88
159 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.425414 0.851351
160 GLU LEU ASN ARG LYS MET ILE TYR MET 0.425414 0.753247
161 PRO HIS PRO PHE HIS LAV ILE HIS LYS 0.42487 0.767123
162 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.424658 0.680556
163 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.423729 0.802632
164 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.423729 0.868421
165 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.423077 0.74359
166 5JP PRO LYS ARG ILE ALA 0.422619 0.789474
167 SER ARG TYR TRP ALA ILE ARG THR ARG 0.421622 0.792208
168 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.421348 0.833333
169 SER LEU PHE HIS 22G THR PRO 0.421053 0.842105
170 ASP PHE GLU GLU ILE PRO GLY GLU PTR 0.421053 0.78481
171 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.420792 0.839506
172 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.41989 0.810811
173 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.419355 0.8
174 LEU PRO PHE GLU LYS SER THR VAL MET 0.419355 0.7125
175 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.418478 0.813333
176 MET HIS PRO ALA GLN THR SER GLN TRP 0.418367 0.765432
177 VAL VAL SER HIS PHE ASN ASP 0.418182 0.657895
178 LYS PRO HIS SER ASP 0.418182 0.723684
179 DPN PRO DAR CYS NH2 0.417722 0.726027
180 ARG ARG LEU ILE PHE NH2 0.417722 0.630137
181 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.417647 0.780822
182 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.417582 0.805556
183 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.417526 0.828947
184 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.417476 0.851852
185 GLY SER ASP PRO PHE LYS 0.417178 0.684211
186 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.417112 0.84
187 GLU ARG GLU SEP GLU PHE ASP ILE GLU ASP 0.416667 0.62963
188 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.416185 0.826667
189 LEU SER SER PRO VAL THR LYS SER PHE 0.414773 0.736842
190 ASP GLU LEU GLU ILE LYS ALA TYR 0.414201 0.680556
191 ILE MET ASP GLN VAL PRO PHE SER VAL 0.413978 0.7125
192 ARG ABA PHE ILE PHE ALA ASN ILE 0.413174 0.712329
193 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.412429 0.802632
194 SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.412429 0.684211
195 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.412371 0.890411
196 LYS PRO PHE PTR VAL ASN VAL NH2 0.412088 0.7625
197 PHE TYR ARG ALA LEU MET 0.411765 0.710526
198 ALA ASN SER ARG TRP PRO THR SER 2KP ILE 0.411483 0.851852
199 ARG VAL ALA GLN LEU GLU GLN VAL TYR ILE 0.411429 0.75
200 ARG SER HIS SEP SER PRO ALA SER LEU GLN 0.410256 0.780488
201 ALA THR VAL ARG THR TYR SER CYS 0.409639 0.675325
202 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.409574 0.794521
203 PHE SER ASP PRO TRP GLY GLY 0.40884 0.727273
204 GLY HIS ARG PRO 0.408805 0.819444
205 ASN ASP TRP LEU LEU PRO SER TYR 0.408377 0.844156
206 PIV HIS PRO PHE HIS LPL TYR TYR SER 0.408163 0.818182
207 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.407821 0.763158
208 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.407821 0.786667
209 PHE PRO THR LYS ASP VAL ALA LEU 0.407821 0.746667
210 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.407767 0.790698
211 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.406977 0.779221
212 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.40678 0.849315
213 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.405714 0.69863
214 ACE CYS HIS PRO GLN ASN THR NH2 0.405714 0.753247
215 ALA PRO ASP THR ARG PRO ALA PRO 0.404762 0.802632
216 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.404494 0.72973
217 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.403509 0.69863
218 3BY PRO LYS ARG ILE ALA 0.403509 0.766234
219 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.403315 0.726027
220 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.403226 0.797297
221 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.402985 0.72093
222 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.402299 0.819444
223 VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO 0.402299 0.726027
224 GLU LEU PRO LEU VAL LYS ILE 0.401198 0.722222
225 LYS PRO VAL LEU ARG THR ALA 0.401163 0.824324
226 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.40107 0.807692
227 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.40099 0.864865
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4CA5; Ligand: 3EF; Similar sites found: 37
This union binding pocket(no: 1) in the query (biounit: 4ca5.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5A3Y VAL LYS 0.02041 0.43853 1.27737
2 4RW3 TDA 0.03286 0.41144 1.3245
3 5EHR 5OD 0.04747 0.40546 1.3308
4 1TV5 N8E 0.04389 0.41796 2.0316
5 5L44 K26 0.0001043 0.53212 2.03735
6 4TMN 0PK 0.001016 0.4591 2.21519
7 4UCC ZKW 0.0321 0.43119 3.00429
8 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.007263 0.46906 3.06122
9 3E3U NVC 0.002461 0.46812 3.5533
10 3Q2H QHF 0.003456 0.44881 3.7037
11 2FV5 541 0.001694 0.43146 3.83142
12 4GAA BES 0.002113 0.46711 4.24448
13 4WKI 3PW 0.012 0.43685 4.25532
14 5CHR 4NC 0.04203 0.42018 4.37956
15 4AR8 IP8 GLY PRO ALA 0.0007386 0.48983 4.82234
16 4HBM 0Y7 0.02537 0.41318 5
17 1WS1 BB2 0.001358 0.47668 5.12821
18 1G27 BB1 0.0009318 0.47604 5.95238
19 4DS8 A8S 0.03668 0.40816 6.2201
20 5KDX GAL TNR 0.008147 0.4554 6.28183
21 5K53 STE 0.01555 0.41449 6.48855
22 5V4R MGT 0.004632 0.46862 6.79012
23 3AHO 3A2 0.0000005515 0.42474 6.91489
24 5JF2 SF7 0.002183 0.45836 7.84314
25 1LQY BB2 0.0009723 0.47942 8.15217
26 4K90 MLA 0.008795 0.46314 8.83721
27 4WZV E40 0.0008499 0.45908 9.375
28 4OKE AMP 0.03738 0.40468 10.119
29 3D3X ARG ILE MET GLU NH2 0.006564 0.42596 10.5386
30 2VWA PTY 0.00297 0.48846 10.8911
31 1S17 GNR 0.001704 0.46351 11.1111
32 4YSX E23 0.01536 0.44369 11.5385
33 3G5K BB2 0.004426 0.45516 12.0219
34 1RL4 BRR 0.01192 0.44985 12.766
35 2V5E SCR 0.03245 0.42618 14.8515
36 1JGS SAL 0.02337 0.41549 15.942
37 5UGW GSH 0.004443 0.49567 16
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