Receptor
PDB id Resolution Class Description Source Keywords
5E1D 1.45 Å EC: 2.1.1.244 NTMT1 IN COMPLEX WITH YPKRIA PEPTIDE HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC TR
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION BY THE H N-TERMINAL METHYLTRANSFERASE 1. GENES DEV. V. 29 2343 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UNX A:319;
A:312;
A:326;
B:316;
A:333;
A:317;
A:332;
A:331;
B:308;
B:306;
B:313;
A:328;
A:306;
A:327;
A:305;
A:324;
A:334;
A:336;
B:321;
B:311;
A:313;
A:335;
A:318;
A:339;
A:310;
B:319;
A:308;
A:337;
A:340;
A:316;
A:311;
A:330;
A:309;
B:309;
A:321;
B:304;
A:307;
A:320;
B:303;
B:317;
B:310;
A:341;
A:338;
A:315;
A:325;
A:314;
A:329;
B:312;
B:315;
A:322;
B:314;
B:307;
A:323;
B:320;
B:322;
B:305;
B:318;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
n/a X *
TYR PRO LYS ARG ILE ALA E:1;
D:1;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
Kd = 0.1 uM
748.927 n/a O=C([...
GOL A:302;
A:303;
B:302;
A:304;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SAH A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E1M 1.75 Å EC: 2.1.1.244 CRYSTAL STRUCTURE OF NTMT1 IN COMPLEX WITH PPKRIA PEPTIDE HOMO SAPIENS STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUM SGC TR
Ref.: STRUCTURAL BASIS FOR SUBSTRATE RECOGNITION BY THE H N-TERMINAL METHYLTRANSFERASE 1. GENES DEV. V. 29 2343 2015
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5E1O Kd = 0.3 uM ARG PRO LYS ARG ILE ALA n/a n/a
2 5CVE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 6DTN Ki = 39 nM 6D6 PRO PRO LYS ARG ILE ALA NH2 n/a n/a
4 5E1M Kd = 2.8 nM PRO PRO LYS ARG ILE ALA n/a n/a
5 5E1B Kd = 0.8 uM SER PRO LYS ARG ILE ALA n/a n/a
6 5E2A - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 5E1D Kd = 0.1 uM TYR PRO LYS ARG ILE ALA n/a n/a
8 5CVD Kd = 0.39 uM DMG PRO ARG ARG ARG SER ARG LYS PRO n/a n/a
9 5E2B - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5E1O Kd = 0.3 uM ARG PRO LYS ARG ILE ALA n/a n/a
2 5CVE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 6DTN Ki = 39 nM 6D6 PRO PRO LYS ARG ILE ALA NH2 n/a n/a
4 5E1M Kd = 2.8 nM PRO PRO LYS ARG ILE ALA n/a n/a
5 5E1B Kd = 0.8 uM SER PRO LYS ARG ILE ALA n/a n/a
6 5E2A - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 5E1D Kd = 0.1 uM TYR PRO LYS ARG ILE ALA n/a n/a
8 5CVD Kd = 0.39 uM DMG PRO ARG ARG ARG SER ARG LYS PRO n/a n/a
9 5E2B - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5E1O Kd = 0.3 uM ARG PRO LYS ARG ILE ALA n/a n/a
2 5CVE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 6DTN Ki = 39 nM 6D6 PRO PRO LYS ARG ILE ALA NH2 n/a n/a
4 5E1M Kd = 2.8 nM PRO PRO LYS ARG ILE ALA n/a n/a
5 5E1B Kd = 0.8 uM SER PRO LYS ARG ILE ALA n/a n/a
6 5E2A - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 5E1D Kd = 0.1 uM TYR PRO LYS ARG ILE ALA n/a n/a
8 5CVD Kd = 0.39 uM DMG PRO ARG ARG ARG SER ARG LYS PRO n/a n/a
9 5E2B - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 1XTP - SAI C14 H20 N6 O5 Se c1nc(c2c(n....
11 6DUB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TYR PRO LYS ARG ILE ALA; Similar ligands found: 215
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR PRO LYS ARG ILE ALA 1 1
2 ARG PRO LYS ARG ILE ALA 0.793103 0.878788
3 3BY PRO LYS ARG ILE ALA 0.677165 0.842857
4 PRO PRO LYS ARG ILE ALA 0.664062 0.907692
5 SER PRO LYS ARG ILE ALA 0.655738 0.852941
6 DPN PRO DAR ILE NH2 0.604839 0.876923
7 LYS PRO VAL LEU ARG THR ALA 0.604478 0.855072
8 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.597484 0.902778
9 DTY ILE ARG LEU LPD 0.59542 0.954545
10 DPN PRO DAR DTH NH2 0.579365 0.838235
11 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.57554 0.888889
12 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.574324 0.888889
13 ARG PRO MET THR TYR LYS GLY ALA LEU 0.552795 0.853333
14 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.546512 0.890411
15 DPN PRO DAR CYS NH2 0.543307 0.791045
16 SER GLU LEU GLU ILE LYS ARG TYR 0.542857 0.760563
17 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.533742 0.851351
18 DPN PRO ARG 0.532787 0.830769
19 5JP PRO LYS ARG ILE ALA 0.531746 0.788732
20 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.530769 0.771429
21 ALA PHE ARG ILE PRO LEU THR ARG 0.530201 0.885714
22 GLU VAL ALA PRO PRO GLU TYR HIS ARG LYS 0.526316 0.875
23 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.52349 0.910448
24 LEU PRO PHE ASP ARG THR THR ILE MET 0.522293 0.826667
25 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.52027 0.955224
26 LEU PRO PHE GLU ARG ALA THR ILE MET 0.518519 0.837838
27 GLU ARG THR ILE PRO ILE THR ARG GLU 0.518248 0.855072
28 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.517857 0.853333
29 VAL PRO LEU ARG PRO MET THR TYR 0.51634 0.864865
30 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.51634 0.842857
31 GLU LEU LYS ARG LYS MET ILE TYR MET 0.513514 0.760563
32 SER SER ARG LYS GLU TYR TYR ALA 0.51145 0.764706
33 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.509677 0.857143
34 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.506579 0.859155
35 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.503448 0.857143
36 ARG PRO MET THR PHE LYS GLY ALA LEU 0.5 0.813333
37 SER SER TYR ARG ARG PRO VAL GLY ILE 0.5 0.888889
38 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.496855 0.855072
39 ALA LEU PRO HIS ALA ILE LEU ARG LEU 0.496774 0.882353
40 THR LYS PRO ARG 0.495868 0.815385
41 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.49375 0.842857
42 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.493671 0.847222
43 PRO SER ILE ASP ARG SER THR LYS PRO 0.493506 0.859155
44 LEU PRO PHE ASP LYS THR THR ILE MET 0.490446 0.746667
45 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.488372 0.805195
46 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.48503 0.890411
47 GLU LEU ASN ARG LYS MET ILE TYR MET 0.484076 0.72973
48 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.483871 0.914286
49 PHE PRO THR LYS ASP VAL ALA LEU 0.48366 0.774648
50 GLN ASN TYR PRO ILE VAL GLN 0.482759 0.814286
51 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.482759 0.830986
52 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.481481 0.887324
53 HIS HIS ALA SER PRO ARG LYS 0.480519 0.802817
54 ALA MET ALA PRO ARG THR LEU LEU LEU 0.479452 0.797297
55 ARG LEU PRO ALA LYS ALA PRO LEU LEU 0.479452 0.852941
56 LYS PRO ILE VAL VAL LEU HIS GLY TYR 0.478528 0.857143
57 SER HIS PRO ARG PRO ILE ARG VAL 0.477124 0.835616
58 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.476821 0.808219
59 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.47561 0.842857
60 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.47561 0.864865
61 VAL MET ALA PRO ARG THR LEU PHE LEU 0.475 0.824324
62 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.474576 0.771084
63 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.474453 0.742857
64 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.473333 0.84058
65 TYR PRO PHE PHE NH2 0.472441 0.776119
66 PHE PRO ARG 0.472441 0.8
67 THR PRO ARG ARG SER MLZ SER ALA 0.471014 0.783784
68 LEU PRO PHE GLU ARG ALA THR VAL MET 0.46988 0.824324
69 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.46988 0.820513
70 LEU PRO PHE ASP LYS SER THR ILE MET 0.469512 0.736842
71 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.46875 0.797297
72 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.46875 0.941176
73 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.468085 0.797101
74 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.466258 0.808219
75 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.464968 0.80597
76 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.464516 0.897059
77 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.462963 0.84507
78 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.4625 0.810811
79 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.46 0.855072
80 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.46 0.77027
81 ALA ARG MLZ SER ALA PRO ALA THR 0.459459 0.797297
82 ARG THR PHE SER PRO THR TYR GLY LEU 0.45679 0.851351
83 ARG PRO LYS PRO LEU VAL ASP PRO 0.456522 0.835821
84 SER ALA PRO ASP THR ARG PRO ALA 0.455782 0.819444
85 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.455621 0.847222
86 ASN ARG PRO ILE LEU SER LEU 0.455172 0.794521
87 ILE ARG LYS ILE LEU PHE LEU ASP GLY ILE 0.455128 0.724638
88 MET CYS PRO ARG MET THR ALA VAL MET 0.455128 0.797297
89 GLU LEU LYS TPO GLU ARG TYR 0.453947 0.710526
90 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.453901 0.80597
91 GLY GLY LYS LYS LYS TYR ARG LEU 0.453237 0.80597
92 GLY GLY LYS LYS ARG TYR LYS LEU 0.453237 0.80597
93 GLY GLY ARG LYS LYS TYR LYS LEU 0.453237 0.80597
94 ARG ARG ARG GLU ARG SER PRO THR ARG 0.452703 0.802817
95 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.452703 0.814286
96 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.451429 0.810811
97 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.451219 0.767123
98 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.450617 0.842857
99 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.450331 0.791667
100 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.449704 0.863014
101 LYS ARG ARG ARG HIS PRO SER 0.449664 0.8
102 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.448718 0.828571
103 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.448485 0.927536
104 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.448485 0.927536
105 LEU PRO LYS MYK THR GLY GLY 0.448052 0.736111
106 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.447368 0.746479
107 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.447059 0.901408
108 ILE SER PRO ARG THR LEU ASP ALA TRP 0.446328 0.84
109 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.44586 0.753247
110 CYS THR PRO SER ARG 0.445255 0.788732
111 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.445122 0.783784
112 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.444444 0.767123
113 PHE ASN ARG PRO VAL 0.444444 0.814286
114 TYR LEU ALA PRO GLY PRO VAL THR ALA 0.443709 0.805556
115 ALA ARG SER HIS SEP TYR PRO ALA 0.443114 0.78481
116 PHE ASN PHE PRO GLN ILE THR 0.442953 0.739726
117 LYS TYR TYR SER ILE ILE PRO HIS SER ILE 0.442308 0.810811
118 TYR TYR SER ILE ILE PRO HIS SER ILE 0.442308 0.810811
119 GLU LEU ARG ARG LYS MET MET TYR MET 0.442177 0.736111
120 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.442177 0.830986
121 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.440789 0.768116
122 TYR TYR SER ILE ALA PRO HIS SER ILE 0.440252 0.786667
123 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.440217 0.847222
124 ALA PRO ASP THR ARG PRO 0.439716 0.830986
125 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.439189 0.802817
126 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.438356 0.788732
127 ARG TYR PRO LEU THR PHE GLY TRP 0.438202 0.864865
128 LYS ARG ARG ARG HIS PRO SER GLY 0.437909 0.767123
129 ACE GLN GLU ARG GLU VAL PRO CYS 0.4375 0.811594
130 1IP CYS PHE SER LYS PRO ARG 0.4375 0.783784
131 THR PRO TYR ASP ILE ASN GLN MET LEU 0.435583 0.75
132 ASP GLU LEU GLU ILE LYS ALA TYR 0.435374 0.705882
133 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.435374 0.75
134 GLY ARG PHE ALA ALA ALA ILE ALA LYS 0.434483 0.757576
135 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.434211 0.771429
136 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.433962 0.826087
137 ACE TYR PRO ILE GLN GLU THR 0.433333 0.838235
138 LEU PRO PRO GLU GLU ARG LEU ILE 0.432432 0.880597
139 LEU GLU LYS ALA ARG GLY SER THR TYR 0.432099 0.75
140 ARG LEU TYR HIS SEP LEU PRO ALA 0.431953 0.797468
141 GLU LEU PRO LEU VAL LYS ILE 0.431507 0.776119
142 LEU PRO PRO VAL VAL ALA LYS GLU ILE 0.431373 0.779412
143 ALA ARG LYS ILE ASP ASN LEU ASP 0.430556 0.661972
144 SER ASP ILE LEU PHE PRO ALA ASP SER 0.430464 0.75
145 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.43038 0.816901
146 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.43038 0.712329
147 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.43038 0.828571
148 HIS SER ILE THR TYR LEU LEU PRO VAL 0.430303 0.810811
149 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.430168 0.818182
150 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.429487 0.805556
151 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.429487 0.728571
152 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.429348 0.772152
153 PTR LEU ARG VAL ALA 0.428571 0.69863
154 SER ARG LYS ILE ASP ASN LEU ASP 0.428571 0.657534
155 PRO ARG ARG PRO VAL ILE MET ARG ARG 0.428571 0.802817
156 ALA PRO ASP THR ARG PRO ALA PRO 0.427586 0.830986
157 GLY LEU LEU GLY SEP PRO VAL ARG ALA 0.426752 0.727273
158 ALA ASN SER ARG HIS PRO THR SER ILE ILE 0.426752 0.861111
159 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.425926 0.757143
160 LEU PRO PHE GLU LYS SER THR VAL MET 0.424242 0.723684
161 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.424051 0.776316
162 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.423729 0.719512
163 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.423529 0.815789
164 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.421965 0.875
165 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.421687 0.786667
166 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.420765 0.75
167 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.420732 0.828571
168 LEU SER SER PRO VAL THR LYS SER PHE 0.420382 0.760563
169 ALA ARG THR MLY GLN THR ALA ARG TYR 0.42 0.746667
170 SER ILE TYR PHE TPO PRO GLU LEU TYR ASP 0.41954 0.7375
171 ALA PRO PRO PRO ARG PRO PRO LYS PRO 0.41844 0.791045
172 GLU TYR GLY PRO LYS TRP ASN LYS 0.418182 0.739726
173 ILE LEU LYS GLU PRO VAL HIS GLY VAL 0.418182 0.797101
174 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.417989 0.842105
175 SER ARG ASP HIS SER ARG THR PRO MET 0.417647 0.792208
176 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.417647 0.808219
177 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.416667 0.780822
178 ALA ALA ARG KCR SER ALA PRO ALA 0.416667 0.802817
179 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.416667 0.821918
180 TYR SEP PRO THR SEP PRO SER 0.416667 0.75
181 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.416149 0.716216
182 ASP ARG VAL TYR ILE HIS PRO PHE 0.415493 0.852941
183 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.414634 0.805556
184 ALA ARG THR LYS GLN THR ALA ARG LYS 0.414286 0.642857
185 ASN ALA LEU LEU ARG TYR LEU LEU ASP 0.413793 0.71831
186 ALA ASN SER ARG TRP PRO THR SER FAK ILE 0.413043 0.797468
187 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.4125 0.816901
188 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.410959 0.649351
189 LEU PRO SER PHE GLU THR ALA LEU 0.410256 0.75
190 SER PRO ARG LEU PRO LEU LEU GLU SER 0.409722 0.848485
191 ARG VAL SER PRO SER THR SER TYR THR PRO 0.409722 0.774648
192 ALA ASN SER ARG TRP PRO THR SER 2KK ILE 0.409574 0.7875
193 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.409091 0.84507
194 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.408537 0.730769
195 SER GLU ILE GLU PHE ALA ARG LEU 0.407895 0.676056
196 ALA ARG THR GLU LEU TYR ARG SER LEU 0.407895 0.722222
197 ASP ARG VAL GLU LEU ASN ALA PRO ARG GLN 0.407643 0.802817
198 DMG PRO ARG ARG ARG SER ARG LYS PRO 0.407407 0.791667
199 SER ASP TYR GLN ARG LEU 0.407143 0.75
200 ARG PHE PRO LEU THR PHE GLY TRP 0.40678 0.837838
201 SER SER GLY LYS VAL PRO LEU 0.405594 0.732394
202 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.405063 0.805556
203 GLN ALA SER TPO PRO ARG NIT 0.404762 0.705882
204 SER ARG TYR TRP ALA ILE ARG THR ARG 0.404762 0.77027
205 SER SER GLY LYS VAL PRO LEU SER 0.40411 0.722222
206 ARG SEP PRO VAL PHE SER 0.403727 0.75
207 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.403509 0.791667
208 VAL TYR PRO IAS HIS ALA 0.402597 0.791667
209 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.402439 0.828571
210 PHE ARG TYR LEU GLY 0.401408 0.753623
211 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.401361 0.757143
212 ACE ARG THR PRO SEP LEU PRO THR PIP 0.401274 0.759494
213 ARG ARG ALA SEP ALA PRO LEU PRO 0.401274 0.74026
214 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.401042 0.828947
215 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.4 0.842857
Ligand no: 2; Ligand: SAH; Similar ligands found: 231
No: Ligand ECFP6 Tc MDL keys Tc
1 SAH 1 1
2 5X8 0.759494 0.969697
3 A7D 0.734177 0.926471
4 TT8 0.709302 0.970588
5 DSH 0.692308 0.914286
6 SXZ 0.692308 0.916667
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 SFG 0.635294 0.954545
11 SA8 0.62069 0.915493
12 EEM 0.617977 0.890411
13 MTA 0.615385 0.869565
14 SAI 0.613636 0.955882
15 S7M 0.586957 0.916667
16 36A 0.586538 0.90411
17 K15 0.583333 0.878378
18 RAB 0.573333 0.84058
19 XYA 0.573333 0.84058
20 ADN 0.573333 0.84058
21 62X 0.572917 0.855263
22 5CD 0.571429 0.852941
23 0UM 0.5625 0.876712
24 5N5 0.558442 0.84058
25 A4D 0.551282 0.867647
26 SAM 0.537634 0.916667
27 SSA 0.536842 0.712644
28 SMM 0.536842 0.88
29 KB1 0.534653 0.902778
30 A5D 0.532609 0.857143
31 SIB 0.53125 0.928571
32 EP4 0.530864 0.819444
33 DSZ 0.530612 0.732558
34 GSU 0.53 0.752941
35 A 0.529412 0.763158
36 LMS 0.529412 0.694118
37 AMP 0.529412 0.763158
38 5CA 0.525773 0.712644
39 ME8 0.524752 0.8125
40 M2T 0.52439 0.821918
41 6RE 0.523256 0.824324
42 GJV 0.522727 0.813333
43 OZP 0.518519 0.915493
44 AAT 0.515789 0.863014
45 LSS 0.515152 0.696629
46 KAA 0.514852 0.727273
47 J7C 0.511364 0.835616
48 KG4 0.51087 0.769231
49 A5A 0.510417 0.697674
50 SON 0.505495 0.805195
51 SRP 0.505155 0.805195
52 F0P 0.504505 0.915493
53 ADX 0.5 0.694118
54 5AL 0.5 0.779221
55 54H 0.5 0.681818
56 VMS 0.5 0.681818
57 KH3 0.5 0.866667
58 HY8 0.5 0.890411
59 AMO 0.5 0.805195
60 CA0 0.5 0.769231
61 N37 0.495495 0.9
62 HZ2 0.495413 0.890411
63 AHX 0.49505 0.753086
64 NVA LMS 0.49505 0.707865
65 TSB 0.494949 0.689655
66 53H 0.494949 0.674157
67 G5A 0.494737 0.712644
68 ABM 0.494382 0.74359
69 A2D 0.494382 0.74359
70 45A 0.494382 0.74359
71 ZAS 0.494253 0.808219
72 A6D 0.490196 0.759494
73 GEK 0.49 0.956522
74 8QN 0.49 0.779221
75 GAP 0.489583 0.769231
76 A3S 0.48913 0.884058
77 AN2 0.48913 0.734177
78 S4M 0.488889 0.831169
79 SRA 0.488636 0.746835
80 LAD 0.485437 0.810127
81 52H 0.484848 0.674157
82 AP2 0.483516 0.759494
83 A12 0.483516 0.759494
84 BA3 0.483516 0.74359
85 NEC 0.483146 0.788732
86 AOC 0.483146 0.842857
87 Y3J 0.481481 0.768116
88 VRT 0.479167 0.861111
89 50T 0.478723 0.734177
90 5AS 0.478261 0.655556
91 ADP 0.478261 0.74359
92 AP5 0.478261 0.74359
93 B4P 0.478261 0.74359
94 A3N 0.477778 0.830986
95 YSA 0.476636 0.712644
96 XAH 0.476636 0.768293
97 8LH 0.474747 0.759494
98 0XU 0.473684 0.897059
99 AT4 0.473118 0.7375
100 ADP MG 0.473118 0.763158
101 J4G 0.471154 0.818182
102 WAQ 0.471154 0.807692
103 NSS 0.470588 0.712644
104 8LE 0.469388 0.75
105 5AD 0.468354 0.791045
106 M33 0.468085 0.734177
107 AU1 0.468085 0.725
108 MAO 0.467391 0.797468
109 NB8 0.466667 0.775
110 A3G 0.466667 0.871429
111 TXA 0.466667 0.759494
112 N5O 0.466667 0.857143
113 3AM 0.465909 0.727273
114 8X1 0.465347 0.707865
115 8LQ 0.465347 0.782051
116 DAL AMP 0.465347 0.779221
117 ACP 0.463158 0.746835
118 ATP 0.463158 0.74359
119 A3T 0.463158 0.842857
120 HEJ 0.463158 0.74359
121 7D7 0.4625 0.785714
122 LEU LMS 0.461538 0.688889
123 9ZD 0.460784 0.740741
124 9ZA 0.460784 0.740741
125 APR 0.458333 0.766234
126 AQP 0.458333 0.74359
127 APC 0.458333 0.759494
128 AR6 0.458333 0.766234
129 PRX 0.458333 0.746835
130 5FA 0.458333 0.74359
131 F2R 0.457627 0.75
132 IOT 0.456897 0.761905
133 N5A 0.456522 0.855072
134 4AD 0.456311 0.794872
135 PAJ 0.456311 0.722892
136 WSA 0.45614 0.72093
137 HQG 0.455446 0.75641
138 FA5 0.453704 0.805195
139 8PZ 0.453704 0.712644
140 YAP 0.453704 0.794872
141 NVA 2AD 0.453608 0.849315
142 ATP MG 0.453608 0.763158
143 AD9 0.453608 0.725
144 SAP 0.453608 0.728395
145 AGS 0.453608 0.728395
146 ADP PO3 0.453608 0.763158
147 APC MG 0.453608 0.766234
148 ADV 0.453608 0.782051
149 RBY 0.453608 0.782051
150 PTJ 0.45283 0.731707
151 MHZ 0.452632 0.797468
152 00A 0.451923 0.740741
153 A3P 0.451613 0.74026
154 YLP 0.451327 0.771084
155 7MD 0.45045 0.768293
156 ALF ADP 0.45 0.707317
157 ADP ALF 0.45 0.707317
158 2VA 0.447917 0.819444
159 H1Q 0.447917 0.753247
160 OOB 0.446602 0.779221
161 ANP 0.444444 0.725
162 ACQ 0.444444 0.746835
163 TAT 0.444444 0.7375
164 T99 0.444444 0.7375
165 P5A 0.443396 0.719101
166 7D5 0.443182 0.708861
167 A1R 0.442308 0.7625
168 YLC 0.439655 0.790123
169 2AM 0.438202 0.717949
170 DLL 0.438095 0.779221
171 ARG AMP 0.4375 0.759036
172 A22 0.436893 0.734177
173 D3Y 0.436893 0.859155
174 ATF 0.435644 0.716049
175 MYR AMP 0.435185 0.746988
176 80F 0.434426 0.75
177 SO8 0.434343 0.808219
178 3UK 0.433962 0.769231
179 OAD 0.433962 0.769231
180 TAD 0.433628 0.765432
181 25A 0.432692 0.74359
182 ADP VO4 0.431373 0.734177
183 VO4 ADP 0.431373 0.734177
184 6YZ 0.431373 0.746835
185 9SN 0.431193 0.731707
186 TYM 0.431034 0.805195
187 PR8 0.429907 0.8
188 B5V 0.429907 0.759494
189 ADQ 0.428571 0.746835
190 YLB 0.42735 0.771084
191 FYA 0.425926 0.779221
192 9K8 0.425926 0.67033
193 1ZZ 0.425926 0.746988
194 3OD 0.425926 0.769231
195 PPS 0.425743 0.674419
196 B1U 0.423423 0.638298
197 MAP 0.423077 0.707317
198 4YB 0.421053 0.735632
199 A2P 0.421053 0.727273
200 ADP BMA 0.420561 0.746835
201 9X8 0.420561 0.75
202 TYR AMP 0.419643 0.794872
203 5SV 0.419048 0.731707
204 OZV 0.419048 0.74359
205 3NZ 0.416667 0.824324
206 YLA 0.416667 0.771084
207 8Q2 0.415254 0.688889
208 A3R 0.415094 0.7625
209 B5M 0.414414 0.75
210 B5Y 0.414414 0.75
211 LPA AMP 0.413793 0.768293
212 48N 0.413793 0.753086
213 AYB 0.413223 0.761905
214 ACK 0.413043 0.710526
215 QQY 0.413043 0.696203
216 BIS 0.412844 0.719512
217 JB6 0.412844 0.7625
218 PAP 0.41 0.730769
219 DQV 0.408696 0.75641
220 OVE 0.408602 0.7125
221 AMP DBH 0.40708 0.746835
222 4UV 0.40708 0.75
223 3AD 0.406977 0.852941
224 OMR 0.40678 0.738095
225 AF3 ADP 3PG 0.40678 0.743902
226 LAQ 0.405172 0.768293
227 A A 0.40367 0.74359
228 7C5 0.403509 0.789474
229 7MC 0.403361 0.75
230 KOY 0.401709 0.847222
231 4UU 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5E1M; Ligand: PRO PRO LYS ARG ILE ALA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5e1m.bio2) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5E1M; Ligand: SAH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5e1m.bio2) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5E1M; Ligand: SAH; Similar sites found with APoc: 3
This union binding pocket(no: 3) in the query (biounit: 5e1m.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 4KRG SAH 20.7469
2 5WP5 SAH 21.9917
3 5WP5 SAH 21.9917
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