-->
Receptor
PDB id Resolution Class Description Source Keywords
5O9V 2.2 Å EC: 2.3.1.97 HSNMT1 IN COMPLEX WITH COA AND MYRISTOYLATED-GGCFSKPK OCTAPE HOMO SAPIENS TRANSFERASE GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE 1 N- MYRISTOYLTRANSFERASE 1 N-MYRISTOYLTRANSFERASE TYPE1 NMT1ACYLTRANSFERASE MYR-PEPTIDE COA MYR-COA MYRISTOYL GNAT
Ref.: STRUCTURAL AND GENOMIC DECODING OF HUMAN AND PLANT MYRISTOYLOMES REVEALS A DEFINITIVE RECOGNITION PATT NAT. CHEM. BIOL. V. 14 671 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:501;
B:501;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
CL A:505;
B:504;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
GOL B:502;
B:503;
A:502;
A:504;
A:503;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
GLY GLY CYS PHE SER LYS PRO LYS MYR D:2;
C:2;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0.056;
submit data
1035.36 n/a SCC(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MU6 1.88 Å EC: 2.3.1.97 HUMAN N-MYRISTOYLTRANSFERASE (NMT1) WITH MYRISTOYL-COA AND I INHIBITOR BOUND HOMO SAPIENS N-MYRISTOYLATION INHIBITOR RHINOVIRUS CAPSULE ASSEMBLY TR
Ref.: FRAGMENT-DERIVED INHIBITORS OF HUMAN N-MYRISTOYLTRA BLOCK CAPSID ASSEMBLY AND REPLICATION OF THE COMMON VIRUS. NAT CHEM V. 10 599 2018
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4C2Y - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
2 4C2Z ic50 = 17 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
3 5O6H ic50 = 0.013 uM 9M2 C24 H28 F N5 O Cc1c(c(n(n....
4 5O9V - GLY GLY CYS PHE SER LYS PRO LYS MYR n/a n/a
5 5O9U - GLY CYS SER VAL SER LYS LYS LYS MYR n/a n/a
6 5O6J ic50 = 4.6 nM 9M8 C25 H30 F N5 O Cc1c(c(n(n....
7 5O9T - 1IP CYS PHE SER LYS PRO ARG n/a n/a
8 5MU6 Kd < 210 pM KFK C25 H29 F2 N5 O Cc1c(c(n(n....
70% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4CAF Ki = 75 nM 370 C21 H23 N5 O2 S Cc1c(c(n[n....
2 4B10 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
3 4BBH Ki = 0.08 uM YBN C22 H23 N O4 S COc1cccc(c....
4 2YND Ki = 32 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
5 5G22 Ki = 0.1 uM YN4 C25 H27 N5 O3 S CCOC(=O)c1....
6 4B11 ic50 = 2.3 uM 7I1 C26 H26 N2 O3 Cc1c2c(ccc....
7 4CAE Ki = 18 nM 3F3 C23 H23 N3 O3 S COc1cccc(c....
8 5O48 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
9 4B12 ic50 = 10.2 uM C23 C23 H25 N O3 Cc1c2c(ccc....
10 5O4V - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
11 5G1Z Ki = 4.7 uM U53 C16 H16 N2 O3 S CCOC(=O)c1....
12 2YNE Ki = 2.7 nM YNE C22 H25 N5 O2 S Cc1c(c(n(n....
13 4B13 ic50 = 2 uM X25 C23 H23 N3 O3 Cc1c2c(ccc....
14 4A95 ic50 = 2.9 uM 9MT C18 H22 N2 O S CCCCc1c(nc....
15 4B14 ic50 = 0.6 uM 4XB C23 H25 N O5 Cc1c2c(ccc....
16 4C68 - EN5 C27 H53 N5 O4 C1CCC(CC1)....
17 4C2X - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
18 5O6H ic50 = 0.013 uM 9M2 C24 H28 F N5 O Cc1c(c(n(n....
19 5O9V - GLY GLY CYS PHE SER LYS PRO LYS MYR n/a n/a
20 5O9U - GLY CYS SER VAL SER LYS LYS LYS MYR n/a n/a
21 5O6J ic50 = 4.6 nM 9M8 C25 H30 F N5 O Cc1c(c(n(n....
22 5O9T - 1IP CYS PHE SER LYS PRO ARG n/a n/a
23 5MU6 Kd < 210 pM KFK C25 H29 F2 N5 O Cc1c(c(n(n....
50% Homology Family (65)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4CAF Ki = 75 nM 370 C21 H23 N5 O2 S Cc1c(c(n[n....
2 4B10 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
3 4BBH Ki = 0.08 uM YBN C22 H23 N O4 S COc1cccc(c....
4 2YND Ki = 32 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
5 5G22 Ki = 0.1 uM YN4 C25 H27 N5 O3 S CCOC(=O)c1....
6 4B11 ic50 = 2.3 uM 7I1 C26 H26 N2 O3 Cc1c2c(ccc....
7 4CAE Ki = 18 nM 3F3 C23 H23 N3 O3 S COc1cccc(c....
8 5O48 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
9 4B12 ic50 = 10.2 uM C23 C23 H25 N O3 Cc1c2c(ccc....
10 5O4V - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
11 5G1Z Ki = 4.7 uM U53 C16 H16 N2 O3 S CCOC(=O)c1....
12 2YNE Ki = 2.7 nM YNE C22 H25 N5 O2 S Cc1c(c(n(n....
13 4B13 ic50 = 2 uM X25 C23 H23 N3 O3 Cc1c2c(ccc....
14 4A95 ic50 = 2.9 uM 9MT C18 H22 N2 O S CCCCc1c(nc....
15 4B14 ic50 = 0.6 uM 4XB C23 H25 N O5 Cc1c2c(ccc....
16 4C68 - EN5 C27 H53 N5 O4 C1CCC(CC1)....
17 5AG5 - DLR C17 H15 N3 O S c1ccc(cc1)....
18 4CYO Ki = 1.6 nM UEK C29 H30 Cl2 F N3 O3 c1cc(ccc1C....
19 2WSA Kd = 1 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
20 4A2Z - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
21 4UCP Kd = 200 uM 9X3 C13 H20 N2 O CNCc1cccc(....
22 4A33 - PS8 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
23 4CYP - A62 C21 H23 Cl2 N O3 c1cc(ccc1C....
24 4UCM Kd = 180 uM X6W C12 H15 N3 CNCc1cc(nn....
25 5G21 - YN4 C25 H27 N5 O3 S CCOC(=O)c1....
26 6GNS - F65 C30 H43 N3 O4 S CN1CCC(CC1....
27 4CYQ Ki = 59 nM YAU C29 H29 Cl2 F N2 O4 c1cc(ccc1C....
28 4CGP - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
29 6GNT - F5Q C29 H38 N4 O2 S CN1CCC(CC1....
30 2WUU ic50 = 68.7 nM NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
31 5AG6 - 5PE C16 H16 N2 O3 S COc1cc(ccc....
32 4CGL ic50 = 0.031 uM A6K C21 H24 Cl2 N2 O2 c1cc(ccc1C....
33 5AGE - M9M C23 H31 N3 O3 Cc1cc(no1)....
34 6GNU - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
35 5A27 Ki = 0.02 uM TUT C21 H24 Cl N3 O3 [H]/N=C(Cc....
36 4A32 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
37 4C7H - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
38 4UCN - JRB C10 H15 N3 c1ccc(c(c1....
39 4C7I - JJ1 C27 H52 N4 O5 C1CCC(CC1)....
40 6GNV - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
41 4CGN ic50 = 0.55 uM 7AH C21 H22 F N3 O c1cc(ccc1C....
42 5AG4 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
43 5G20 - QBY C23 H24 N2 O3 S CCSc1c2cc(....
44 4A30 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
45 4CGM ic50 = 1.02 uM CWZ C27 H28 N4 S c1cc(cc(c1....
46 4A31 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
47 5A28 Ki = 0.01 uM TUQ C20 H24 Cl N5 O2 Cc1c(c(n(n....
48 4CGO ic50 = 0.299 uM 6KV C17 H24 N6 S CN1CCC(CC1....
49 4CYN Ki = 1406 nM A6M C21 H24 Cl2 N2 O2 c1cc(ccc1C....
50 6GNH - F4T C21 H26 N2 O5 S COc1ccc(cc....
51 4C2X - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
52 4QBJ - 2XQ C25 H23 F3 N2 O3 Cc1c(oc2c1....
53 4UWJ - 7L5 C21 H28 Cl2 F2 N4 O2 S Cc1c(c(n(n....
54 4UWI - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
55 1IIC - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
56 1IID - NHM C36 H64 N7 O17 P3 S CCCCCCCCCC....
57 1IYK Ki = 0.25 uM MIM C33 H52 N6 O4 Cc1nccn1CC....
58 4C2Y - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
59 4C2Z ic50 = 17 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
60 5O6H ic50 = 0.013 uM 9M2 C24 H28 F N5 O Cc1c(c(n(n....
61 5O9V - GLY GLY CYS PHE SER LYS PRO LYS MYR n/a n/a
62 5O9U - GLY CYS SER VAL SER LYS LYS LYS MYR n/a n/a
63 5O6J ic50 = 4.6 nM 9M8 C25 H30 F N5 O Cc1c(c(n(n....
64 5O9T - 1IP CYS PHE SER LYS PRO ARG n/a n/a
65 5MU6 Kd < 210 pM KFK C25 H29 F2 N5 O Cc1c(c(n(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 211
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Ligand no: 2; Ligand: GLY GLY CYS PHE SER LYS PRO LYS MYR; Similar ligands found: 35
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY GLY CYS PHE SER LYS PRO LYS MYR 1 1
2 1IP CYS PHE SER LYS PRO ARG 0.614379 0.857143
3 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.512346 0.923077
4 GLY SER ASP PRO PHE LYS 0.5 0.904762
5 GLU LYS PRO SER SER SER 0.460993 0.873016
6 GLY CYS SER VAL SER LYS LYS LYS MYR 0.456376 0.769231
7 LYS THR PHE PRO PRO THR GLU PRO LYS 0.449102 0.863636
8 LEU PRO PHE GLU LYS SER THR VAL MET 0.448276 0.897059
9 GLY GLY LYS LEU SER LYS LYS LYS LYS MYR 0.445946 0.723077
10 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.436047 0.774648
11 MAA LYS PRO PHE 0.435374 0.753846
12 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.435028 0.816901
13 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.433862 0.730769
14 LEU PRO PHE ASP LYS SER THR ILE MET 0.433333 0.911765
15 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.426035 0.835821
16 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.421965 0.830986
17 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.420732 0.867647
18 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.418079 0.814286
19 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.414141 0.792208
20 ARG THR PHE SER PRO THR TYR GLY LEU 0.413408 0.753247
21 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.412088 0.788732
22 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.411765 0.820895
23 LEU SER SER PRO VAL THR LYS SER PHE 0.411765 0.863636
24 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.411429 0.859375
25 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.411429 0.777778
26 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.410811 0.808219
27 LEU PRO SER PHE GLU THR ALA LEU 0.410714 0.878788
28 LEU PHE GLY TYR PRO VAL TYR VAL 0.410714 0.746479
29 SER PRO ILE VAL PRO SER PHE ASP MET 0.408046 0.911765
30 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.404624 0.746479
31 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.404624 0.746479
32 GLU PHE SER PRO 0.402778 0.857143
33 LEU PRO PHE ASP LYS THR THR ILE MET 0.402235 0.897059
34 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.401099 0.774648
35 ARG PRO MET THR PHE LYS GLY ALA LEU 0.4 0.810811
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MU6; Ligand: MYA; Similar sites found with APoc: 263
This union binding pocket(no: 1) in the query (biounit: 5mu6.bio2) has 76 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 1ND4 KAN 0.757576
3 5C3R HMU 1.16618
4 5C3R AKG 1.16618
5 1BO4 COA 1.19048
6 5IUY BOG 1.53453
7 1OFL NGK GCD 1.53453
8 4IGQ THR M3L GLN 1.66667
9 1GHE ACO 1.69492
10 4WZ6 ATP 1.72414
11 5TVJ COA 1.79028
12 4MRP GSH 1.79028
13 4RF7 ARG 1.79028
14 5TVJ 7LF 1.79028
15 3T4L ZEA 1.85185
16 4EE7 PIS 1.97368
17 3DC4 ADP 2.03488
18 5IM3 DTP 2.04604
19 5FPN KYD 2.04604
20 5FPE 3TR 2.06718
21 2AWN ADP 2.09974
22 3B6R ADP 2.09974
23 3BIY 01K 2.10526
24 2PZE ATP 2.18341
25 1SDW IYT 2.2293
26 1U0J ADP 2.24719
27 4BG4 ADP 2.24719
28 5LDQ NAP 2.25989
29 4NOS ITU 2.30179
30 1J78 OLA 2.30179
31 1ELI PYC 2.31362
32 3B9Z CO2 2.31959
33 4BTV RB3 2.32558
34 4O9S 2RY 2.32558
35 2CIX CEJ 2.34114
36 4WCX MET 2.55754
37 5H9Y BGC BGC BGC BGC BGC 2.55754
38 1FUR MLT 2.55754
39 2VL1 GLY GLY 2.55754
40 5GVR LMR 2.5641
41 3SHZ 5CO 2.59366
42 5H2U 1N1 2.62172
43 6BMS PLM 2.6393
44 1G6H ADP 2.72374
45 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 2.72374
46 3E70 GDP 2.7439
47 2VZZ SCA 2.75229
48 3SXN COA 2.8133
49 4WOE ADP 2.8133
50 1I1E DM2 2.8133
51 5L9G MO0 2.849
52 1IA9 ANP 2.85714
53 1KUV CA5 2.89855
54 3NNF AKG 2.90698
55 5FP4 YC8 2.99401
56 4AVB ACO 3.003
57 5F1V 3VN 3.0303
58 1B0U ATP 3.05344
59 1Y7P RIP 3.13901
60 4MPO AMP 3.26797
61 2Y65 ADP 3.28767
62 5HGZ ACO 3.29218
63 1TV5 N8E 3.32481
64 4DOO DAO 3.41463
65 1BOB ACO 3.4375
66 3ORQ ADP 3.44828
67 1JJ7 ADP 3.46154
68 4R3L COA 3.46821
69 4PSW COA 3.47003
70 5H4S RAM 3.52113
71 4YBN FAD 3.58056
72 4ZS4 ATP 3.58306
73 5TA6 79D 3.63128
74 1PUA COA 3.68098
75 4XPL ACO 3.68098
76 2GWH PCI 3.69128
77 1BG2 ADP 3.69231
78 1QSN COA 3.7037
79 1QSR ACO 3.7037
80 1Q2D COA 3.7037
81 1Q2C COA 3.7037
82 2YKL NLD 3.7037
83 4PPF FLC 3.71429
84 6BA2 7KM 3.72881
85 1OPB RET 3.73134
86 4KFU ACP 3.77358
87 4R2I ANP 3.80952
88 4U9W COA 3.86473
89 4NTO 1PW 3.86473
90 2OG2 MLI 3.89972
91 4KBA 1QM 3.92749
92 5KF9 ACO 3.96341
93 5KF9 COA 3.96341
94 5KF9 NAG 3.96341
95 5HH0 COA 4
96 3PDT ADP 4
97 3D2M COA 4.09207
98 5TSH ADP 4.09207
99 2ZFN ACO 4.09207
100 2VPQ ANP 4.09207
101 5K04 COA 4.11765
102 5DYO FLU 4.12844
103 3TE4 ACO 4.18605
104 4NSQ COA 4.21053
105 5LX9 OLB 4.23453
106 4AG9 COA 4.24242
107 4AG9 16G 4.24242
108 5TZO 7V7 4.25532
109 4IEN GDP 4.29448
110 3TAY MN0 4.29448
111 4MTI 2DX 4.34783
112 1MID LAP 4.3956
113 1DZK PRZ 4.4586
114 4KVX ACO 4.48718
115 3AQT RCO 4.4898
116 5XXS COA 4.54545
117 4R57 ACO 4.54545
118 5YGE ACO 4.5977
119 5YGE GLU 4.5977
120 3BJC WAN 4.60358
121 6FA4 D1W 4.62428
122 1CM0 COA 4.7619
123 2JDC CAO 4.79452
124 5URY PAM 4.79452
125 1CJW COT 4.81928
126 5OLK DTP 4.85933
127 5OM2 DXT 4.87805
128 4KOT CE3 4.93827
129 3CZ7 ACO 4.94506
130 2KIN ADP 5
131 1JI0 ATP 5
132 2FLI DX5 5
133 4CC6 L5Y 5.03145
134 3WG3 A2G GAL NAG FUC 5.05618
135 3TO7 COA 5.07246
136 4LOO SB4 5.26316
137 2ZW5 COA 5.31561
138 3R96 ACO 5.31915
139 3R96 AMP 5.31915
140 4RT1 C2E 5.35714
141 2Z3U CRR 5.37084
142 3FAL REA 5.3719
143 1FK5 OLA 5.37634
144 4INI AMP 5.38462
145 2ZR9 DTP 5.44413
146 5C1M OLC 5.6
147 2CNT COA 5.625
148 1YQT ADP 5.6266
149 2NZ2 ASP 5.6266
150 2IL4 COA 5.82524
151 4DCT GDP 5.88235
152 2XG5 EC2 5.9633
153 2XG5 EC5 5.9633
154 5FUI APY 6.06061
155 2GOO NDG 6.10687
156 5MRH Q9Z 6.13811
157 3O01 DXC 6.16883
158 5UC9 MYR 6.19469
159 3F8K COA 6.25
160 5H20 GLC 6.30631
161 1L6O SER LEU LYS LEU MET THR THR VAL 6.31579
162 2CBZ ATP 6.32911
163 2D2F ADP 6.4
164 2HJ3 FAD 6.4
165 1V0C ACO 6.43564
166 1V0C KNC 6.43564
167 4H6U ACO 6.5
168 4XMF HSM 6.52174
169 4U00 ADP 6.55738
170 1YRE COA 6.59898
171 1BHX ASP PHE GLU GLU ILE 6.66667
172 5XLY C2E 6.76692
173 2WPW ACO 6.78466
174 5VRH OLB 6.90537
175 5XJ7 87O 6.96517
176 5F6U 5VK 7.00637
177 5OCA 9QZ 7.14286
178 5H86 BCO 7.14286
179 3LN9 FLC 7.19424
180 6EDV COA 7.2165
181 3KP6 SAL 7.28477
182 5CHR 4NC 7.29927
183 3A76 SPD 7.38636
184 2Z9I GLY ALA THR VAL 7.40741
185 4B5P ACO 7.5
186 2YG2 S1P 7.55814
187 2YG2 FLC 7.55814
188 5JPH COA 7.63889
189 3WR7 COA 7.64706
190 3L1N PLM 7.73196
191 1TIQ COA 7.77778
192 5FVJ ACO 7.83133
193 5WHT SIA 7.97101
194 6B21 C9V 8.18414
195 4OFJ HIS 8.18414
196 2VQD AP2 8.18966
197 2GJ3 FAD 8.33333
198 2G30 ALA ALA PHE 8.52713
199 3RC3 ANP 8.69565
200 3ZJ0 ACO 8.73786
201 1GQG DCD 8.95141
202 6E2B PT7 9.21053
203 5X80 SAL 9.375
204 1R6N 434 9.47867
205 3KC1 2T6 9.49555
206 2WPX ACO 9.73451
207 1XK5 TPG 9.80392
208 5W7B MYR 9.92908
209 3P2H NOO 9.95025
210 1U6R ADP 10
211 5M6N 7H9 10.1695
212 4RI1 ACO 10.2151
213 2ZPA ACO 10.2302
214 1I1D COA 10.559
215 1I1D 16G 10.559
216 1RV1 IMZ 10.5882
217 2X7I CIT 11.039
218 1RL4 BL5 11.1702
219 4YEF 4CQ 11.236
220 5LS7 ACO 11.6788
221 4CRZ ACO 11.6788
222 5LLT DND 11.7371
223 1GT4 UNA 11.9497
224 2VBQ BSJ 12.1212
225 4WGF HX2 12.1951
226 2Q4V ACO 12.3529
227 5FLJ QUE 12.3656
228 3SAO DBH 12.5
229 5AZC PGT 12.6667
230 1M4I KAN 12.7072
231 1M4I COA 12.7072
232 1M4I PAP 12.7072
233 3IWD M2T 12.9032
234 6ASZ GLN THR ALA ARG M3L SER 13.0435
235 2B4D COA 13.4503
236 2B4B COA 13.4503
237 4NS0 PIO 13.5338
238 1LNX URI 13.5802
239 1GXU 2HP 14.2857
240 2JEV NHQ 14.3678
241 3CF6 SP1 14.3713
242 4B0T ADP 14.8338
243 1N71 COA 15
244 4K30 NLG 15
245 1NU4 MLA 15.4639
246 2BCG GER 15.601
247 5GK9 ACO 16
248 3MYZ TFX 16
249 4QC6 30N 16.2011
250 5W8E ADE 17.1946
251 5W8E SXZ 17.1946
252 6G96 ACO 18.75
253 1WWZ ACO 18.8679
254 3K9U ACO 18.8679
255 4OGQ 7PH 18.9189
256 4UA3 COA 19.0722
257 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 22.0513
258 3H0L ADP 22.3404
259 2FT0 ACO 22.5532
260 1QSM ACO 23.6842
261 5W97 CHD 26.087
262 5ZCO CHD 26.087
263 1S7N COA 27.4725
Pocket No.: 2; Query (leader) PDB : 5MU6; Ligand: KFK; Similar sites found with APoc: 263
This union binding pocket(no: 2) in the query (biounit: 5mu6.bio2) has 76 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 1ND4 KAN 0.757576
3 5C3R HMU 1.16618
4 5C3R AKG 1.16618
5 1BO4 COA 1.19048
6 5IUY BOG 1.53453
7 1OFL NGK GCD 1.53453
8 4IGQ THR M3L GLN 1.66667
9 1GHE ACO 1.69492
10 4WZ6 ATP 1.72414
11 5TVJ COA 1.79028
12 4MRP GSH 1.79028
13 4RF7 ARG 1.79028
14 5TVJ 7LF 1.79028
15 3T4L ZEA 1.85185
16 4EE7 PIS 1.97368
17 3DC4 ADP 2.03488
18 5IM3 DTP 2.04604
19 5FPN KYD 2.04604
20 5FPE 3TR 2.06718
21 2AWN ADP 2.09974
22 3B6R ADP 2.09974
23 3BIY 01K 2.10526
24 2PZE ATP 2.18341
25 1SDW IYT 2.2293
26 1U0J ADP 2.24719
27 4BG4 ADP 2.24719
28 5LDQ NAP 2.25989
29 4NOS ITU 2.30179
30 1J78 OLA 2.30179
31 1ELI PYC 2.31362
32 3B9Z CO2 2.31959
33 4BTV RB3 2.32558
34 4O9S 2RY 2.32558
35 2CIX CEJ 2.34114
36 4WCX MET 2.55754
37 5H9Y BGC BGC BGC BGC BGC 2.55754
38 1FUR MLT 2.55754
39 2VL1 GLY GLY 2.55754
40 5GVR LMR 2.5641
41 3SHZ 5CO 2.59366
42 5H2U 1N1 2.62172
43 6BMS PLM 2.6393
44 1G6H ADP 2.72374
45 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 2.72374
46 3E70 GDP 2.7439
47 2VZZ SCA 2.75229
48 3SXN COA 2.8133
49 4WOE ADP 2.8133
50 1I1E DM2 2.8133
51 5L9G MO0 2.849
52 1IA9 ANP 2.85714
53 1KUV CA5 2.89855
54 3NNF AKG 2.90698
55 5FP4 YC8 2.99401
56 4AVB ACO 3.003
57 5F1V 3VN 3.0303
58 1B0U ATP 3.05344
59 1Y7P RIP 3.13901
60 4MPO AMP 3.26797
61 2Y65 ADP 3.28767
62 5HGZ ACO 3.29218
63 1TV5 N8E 3.32481
64 4DOO DAO 3.41463
65 1BOB ACO 3.4375
66 3ORQ ADP 3.44828
67 1JJ7 ADP 3.46154
68 4R3L COA 3.46821
69 4PSW COA 3.47003
70 5H4S RAM 3.52113
71 4YBN FAD 3.58056
72 4ZS4 ATP 3.58306
73 5TA6 79D 3.63128
74 1PUA COA 3.68098
75 4XPL ACO 3.68098
76 2GWH PCI 3.69128
77 1BG2 ADP 3.69231
78 1QSN COA 3.7037
79 1QSR ACO 3.7037
80 1Q2D COA 3.7037
81 1Q2C COA 3.7037
82 2YKL NLD 3.7037
83 4PPF FLC 3.71429
84 6BA2 7KM 3.72881
85 1OPB RET 3.73134
86 4KFU ACP 3.77358
87 4R2I ANP 3.80952
88 4U9W COA 3.86473
89 4NTO 1PW 3.86473
90 2OG2 MLI 3.89972
91 4KBA 1QM 3.92749
92 5KF9 ACO 3.96341
93 5KF9 COA 3.96341
94 5KF9 NAG 3.96341
95 5HH0 COA 4
96 3PDT ADP 4
97 3D2M COA 4.09207
98 5TSH ADP 4.09207
99 2ZFN ACO 4.09207
100 2VPQ ANP 4.09207
101 5K04 COA 4.11765
102 5DYO FLU 4.12844
103 3TE4 ACO 4.18605
104 4NSQ COA 4.21053
105 5LX9 OLB 4.23453
106 4AG9 COA 4.24242
107 4AG9 16G 4.24242
108 5TZO 7V7 4.25532
109 4IEN GDP 4.29448
110 3TAY MN0 4.29448
111 4MTI 2DX 4.34783
112 1MID LAP 4.3956
113 1DZK PRZ 4.4586
114 4KVX ACO 4.48718
115 3AQT RCO 4.4898
116 5XXS COA 4.54545
117 4R57 ACO 4.54545
118 5YGE ACO 4.5977
119 5YGE GLU 4.5977
120 3BJC WAN 4.60358
121 6FA4 D1W 4.62428
122 1CM0 COA 4.7619
123 2JDC CAO 4.79452
124 5URY PAM 4.79452
125 1CJW COT 4.81928
126 5OLK DTP 4.85933
127 5OM2 DXT 4.87805
128 4KOT CE3 4.93827
129 3CZ7 ACO 4.94506
130 2KIN ADP 5
131 1JI0 ATP 5
132 2FLI DX5 5
133 4CC6 L5Y 5.03145
134 3WG3 A2G GAL NAG FUC 5.05618
135 3TO7 COA 5.07246
136 4LOO SB4 5.26316
137 2ZW5 COA 5.31561
138 3R96 ACO 5.31915
139 3R96 AMP 5.31915
140 4RT1 C2E 5.35714
141 2Z3U CRR 5.37084
142 3FAL REA 5.3719
143 1FK5 OLA 5.37634
144 4INI AMP 5.38462
145 2ZR9 DTP 5.44413
146 5C1M OLC 5.6
147 2CNT COA 5.625
148 1YQT ADP 5.6266
149 2NZ2 ASP 5.6266
150 2IL4 COA 5.82524
151 4DCT GDP 5.88235
152 2XG5 EC2 5.9633
153 2XG5 EC5 5.9633
154 5FUI APY 6.06061
155 2GOO NDG 6.10687
156 5MRH Q9Z 6.13811
157 3O01 DXC 6.16883
158 5UC9 MYR 6.19469
159 3F8K COA 6.25
160 5H20 GLC 6.30631
161 1L6O SER LEU LYS LEU MET THR THR VAL 6.31579
162 2CBZ ATP 6.32911
163 2D2F ADP 6.4
164 2HJ3 FAD 6.4
165 1V0C ACO 6.43564
166 1V0C KNC 6.43564
167 4H6U ACO 6.5
168 4XMF HSM 6.52174
169 4U00 ADP 6.55738
170 1YRE COA 6.59898
171 1BHX ASP PHE GLU GLU ILE 6.66667
172 5XLY C2E 6.76692
173 2WPW ACO 6.78466
174 5VRH OLB 6.90537
175 5XJ7 87O 6.96517
176 5F6U 5VK 7.00637
177 5OCA 9QZ 7.14286
178 5H86 BCO 7.14286
179 3LN9 FLC 7.19424
180 6EDV COA 7.2165
181 3KP6 SAL 7.28477
182 5CHR 4NC 7.29927
183 3A76 SPD 7.38636
184 2Z9I GLY ALA THR VAL 7.40741
185 4B5P ACO 7.5
186 2YG2 S1P 7.55814
187 2YG2 FLC 7.55814
188 5JPH COA 7.63889
189 3WR7 COA 7.64706
190 3L1N PLM 7.73196
191 1TIQ COA 7.77778
192 5FVJ ACO 7.83133
193 5WHT SIA 7.97101
194 6B21 C9V 8.18414
195 4OFJ HIS 8.18414
196 2VQD AP2 8.18966
197 2GJ3 FAD 8.33333
198 2G30 ALA ALA PHE 8.52713
199 3RC3 ANP 8.69565
200 3ZJ0 ACO 8.73786
201 1GQG DCD 8.95141
202 6E2B PT7 9.21053
203 5X80 SAL 9.375
204 1R6N 434 9.47867
205 3KC1 2T6 9.49555
206 2WPX ACO 9.73451
207 1XK5 TPG 9.80392
208 5W7B MYR 9.92908
209 3P2H NOO 9.95025
210 1U6R ADP 10
211 5M6N 7H9 10.1695
212 4RI1 ACO 10.2151
213 2ZPA ACO 10.2302
214 1I1D COA 10.559
215 1I1D 16G 10.559
216 1RV1 IMZ 10.5882
217 2X7I CIT 11.039
218 1RL4 BL5 11.1702
219 4YEF 4CQ 11.236
220 5LS7 ACO 11.6788
221 4CRZ ACO 11.6788
222 5LLT DND 11.7371
223 1GT4 UNA 11.9497
224 2VBQ BSJ 12.1212
225 4WGF HX2 12.1951
226 2Q4V ACO 12.3529
227 5FLJ QUE 12.3656
228 3SAO DBH 12.5
229 5AZC PGT 12.6667
230 1M4I KAN 12.7072
231 1M4I COA 12.7072
232 1M4I PAP 12.7072
233 3IWD M2T 12.9032
234 6ASZ GLN THR ALA ARG M3L SER 13.0435
235 2B4D COA 13.4503
236 2B4B COA 13.4503
237 4NS0 PIO 13.5338
238 1LNX URI 13.5802
239 1GXU 2HP 14.2857
240 2JEV NHQ 14.3678
241 3CF6 SP1 14.3713
242 4B0T ADP 14.8338
243 1N71 COA 15
244 4K30 NLG 15
245 1NU4 MLA 15.4639
246 2BCG GER 15.601
247 5GK9 ACO 16
248 3MYZ TFX 16
249 4QC6 30N 16.2011
250 5W8E ADE 17.1946
251 5W8E SXZ 17.1946
252 6G96 ACO 18.75
253 1WWZ ACO 18.8679
254 3K9U ACO 18.8679
255 4OGQ 7PH 18.9189
256 4UA3 COA 19.0722
257 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 22.0513
258 3H0L ADP 22.3404
259 2FT0 ACO 22.5532
260 1QSM ACO 23.6842
261 5W97 CHD 26.087
262 5ZCO CHD 26.087
263 1S7N COA 27.4725
Pocket No.: 3; Query (leader) PDB : 5MU6; Ligand: KFK; Similar sites found with APoc: 47
This union binding pocket(no: 3) in the query (biounit: 5mu6.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 3KO0 TFP None
2 1YRX FMN None
3 4MAF ADX 1.27877
4 3EC1 GDP 1.35501
5 1N4K I3P 2.3622
6 6EXS C3H 2.8133
7 6FBA D48 2.86533
8 3ROE THM 3.39623
9 2VDF OCT 3.55731
10 5YV5 ADP 3.58056
11 5YJS SAL 3.58974
12 5J75 6GQ 3.78788
13 3NZ1 3NY 3.83142
14 6CB2 OLC 4.09556
15 5OCG 9R5 4.2328
16 5TVI MYR 4.34783
17 5V1B 8UY 4.58333
18 3B9Q MLI 4.63576
19 5KTC FUH 4.78723
20 5KTC COA 4.78723
21 3ITJ CIT 5.02959
22 2V5E SCR 5.94059
23 5KJW 53C 6.13811
24 1DTL BEP 6.21118
25 3B6C SDN 6.41026
26 3NX2 FER 6.54762
27 6GNO XDI 6.66667
28 3UW5 MAA CHG PRO 0DQ 6.89655
29 4M6T SAM 7.10383
30 4JMU 1ML 7.14286
31 4UBS DIF 7.16113
32 6BR9 6OU 7.24234
33 1MFD GLA MMA ABE 7.44186
34 4HBM 0Y7 7.5
35 5OF1 SAL 7.61905
36 5E5U 1PS 7.95455
37 5E5U MLT 7.95455
38 4RHY 3QG 7.9602
39 4F8L AES 8.27586
40 1JGU HBC 12.2727
41 1XVB 3BR 14.3959
42 4TV1 36M 15.1394
43 5OVV ACE ILE GLU SER THR GLU ILE 15.4472
44 5C9J DAO 16.1616
45 1M2Z BOG 19.0476
46 3UW4 MAA CHG PRO 0DQ 23.913
47 5ZCO PSC 26.087
Pocket No.: 4; Query (leader) PDB : 5MU6; Ligand: MYA; Similar sites found with APoc: 47
This union binding pocket(no: 4) in the query (biounit: 5mu6.bio1) has 62 residues
No: Leader PDB Ligand Sequence Similarity
1 3KO0 TFP None
2 1YRX FMN None
3 4MAF ADX 1.27877
4 3EC1 GDP 1.35501
5 1N4K I3P 2.3622
6 6EXS C3H 2.8133
7 6FBA D48 2.86533
8 3ROE THM 3.39623
9 2VDF OCT 3.55731
10 5YV5 ADP 3.58056
11 5YJS SAL 3.58974
12 5J75 6GQ 3.78788
13 3NZ1 3NY 3.83142
14 6CB2 OLC 4.09556
15 5OCG 9R5 4.2328
16 5TVI MYR 4.34783
17 5V1B 8UY 4.58333
18 3B9Q MLI 4.63576
19 5KTC FUH 4.78723
20 5KTC COA 4.78723
21 3ITJ CIT 5.02959
22 2V5E SCR 5.94059
23 5KJW 53C 6.13811
24 1DTL BEP 6.21118
25 3B6C SDN 6.41026
26 3NX2 FER 6.54762
27 6GNO XDI 6.66667
28 3UW5 MAA CHG PRO 0DQ 6.89655
29 4M6T SAM 7.10383
30 4JMU 1ML 7.14286
31 4UBS DIF 7.16113
32 6BR9 6OU 7.24234
33 1MFD GLA MMA ABE 7.44186
34 4HBM 0Y7 7.5
35 5OF1 SAL 7.61905
36 5E5U 1PS 7.95455
37 5E5U MLT 7.95455
38 4RHY 3QG 7.9602
39 4F8L AES 8.27586
40 1JGU HBC 12.2727
41 1XVB 3BR 14.3959
42 4TV1 36M 15.1394
43 5OVV ACE ILE GLU SER THR GLU ILE 15.4472
44 5C9J DAO 16.1616
45 1M2Z BOG 19.0476
46 3UW4 MAA CHG PRO 0DQ 23.913
47 5ZCO PSC 26.087
APoc FAQ
Feedback