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Receptor
PDB id Resolution Class Description Source Keywords
2H7C 2 Å EC: 3.1.1.1 CRYSTAL STRUCTURE OF HUMAN CARBOXYLESTERASE IN COMPLEX WITH HOMO SAPIENS ENZYME ESTERASE CHOLESTERYL ESTERASE HYDROLASE
Ref.: MULTISITE PROMISCUITY IN THE PROCESSING OF ENDOGENO SUBSTRATES BY HUMAN CARBOXYLESTERASE 1 J.MOL.BIOL. V. 363 201 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:1;
B:2;
C:3;
D:4;
E:5;
F:6;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
NAG B:279;
D:479;
E:579;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG A:179;
F:679;
Part of Protein;
Part of Protein;
none;
none;
submit data
408.404 n/a O=C(N...
NDG C:379;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
SIA D:482;
E:582;
Valid;
Valid;
none;
none;
submit data
309.27 C11 H19 N O9 CC(=O...
SO4 A:185;
A:285;
B:284;
B:384;
C:184;
C:385;
D:484;
D:485;
D:684;
E:585;
F:584;
F:685;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2H7C 2 Å EC: 3.1.1.1 CRYSTAL STRUCTURE OF HUMAN CARBOXYLESTERASE IN COMPLEX WITH HOMO SAPIENS ENZYME ESTERASE CHOLESTERYL ESTERASE HYDROLASE
Ref.: MULTISITE PROMISCUITY IN THE PROCESSING OF ENDOGENO SUBSTRATES BY HUMAN CARBOXYLESTERASE 1 J.MOL.BIOL. V. 363 201 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1MX1 - THA C13 H14 N2 c1ccc2c(c1....
2 2H7C - SIA C11 H19 N O9 CC(=O)N[C@....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1MX1 - THA C13 H14 N2 c1ccc2c(c1....
2 2H7C - SIA C11 H19 N O9 CC(=O)N[C@....
3 1K4Y - 4PN C10 H20 N2 C1CCN(CC1)....
50% Homology Family (105)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4B0O Ki = 7.3 uM 15F C15 H14 Cl3 N2 O [H]/N=C(/C....
2 4B0P Ki = 44 uM MF5 C14 H10 F5 N2 O C[n+]1cccc....
3 5NN0 ic50 = 0.00103 uM 92H C30 H37 N3 O CN(C)CCN(C....
4 6EQQ - H19 C18 H21 Cl N3 c1cc2c(cc1....
5 6EQP Kd = 1.1 uM BUW C19 H24 N2 S CCN(CC)[C@....
6 5DYW ic50 = 4.9 nM 5HF C26 H32 N2 O3 S COCCN(C[C@....
7 1P0P - BCH C9 H20 N O S CCCC(=O)SC....
8 1P0M - CHT C5 H14 N O C[N+](C)(C....
9 6EP4 Ki = 4.5 uM DME C16 H38 N2 C[N+](C)(C....
10 4AQD - GLY C2 H5 N O2 C(C(=O)O)N
11 4BDS Ki = 25 nM THA C13 H14 N2 c1ccc2c(c1....
12 5EHQ Ki = 33 pM 5O2 C41 H43 N8 c1ccc(cc1)....
13 1Q84 Ki = 8900 fM TZ4 C42 H45 N8 c1ccc(cc1)....
14 4ARB Kd = 1.3 uM C57 C17 H26 N4 O4 CCN1CCC[C@....
15 4ARA Kd = 0.9 uM C56 C17 H26 N4 O4 CCN1CCC[C@....
16 4B80 ic50 = 40 uM A36 C13 H21 F N2 O2 S CCN(CC)CCN....
17 1N5R Ki = 2.2 uM PRM C27 H34 N4 CC[N+](C)(....
18 5EHZ Ki = 2.3 pM 5NZ C41 H43 N8 c1ccc(cc1)....
19 2HA6 - SCK C14 H30 N2 O4 C[N+](C)(C....
20 2JF0 - HBP C19 H26 N4 O2 c1cc[n+](c....
21 4B82 ic50 = 41 uM B3Z C12 H19 F N2 O2 S CCN(CC)CCN....
22 2GYU - HI6 C14 H16 N4 O3 c1cc[n+](c....
23 4B7Z ic50 = 49 uM Q4Q C14 H24 N2 O2 S CCN(CC)CCN....
24 2WHQ - HI6 C14 H16 N4 O3 c1cc[n+](c....
25 1J07 Ki = 0.021 uM DCU C32 H44 N4 C[N+](C)(C....
26 1N5M - GMN C30 H60 N3 O3 CC[N+](CC)....
27 3ZLV - HI6 C14 H16 N4 O3 c1cc[n+](c....
28 5FOQ - GC8 C20 H22 Cl2 N2 O2 c1cc(ccc1C....
29 2GYW - OBI C14 H16 N4 O3 c1c[n+](cc....
30 5FUM - SOF C25 H33 N3 O2 CCN1CCN(CC....
31 2HA0 Ki = 0.023 mM CHH C8 H18 N O CC(=O)CCC[....
32 5EIE Ki = 23000 pM TZ2 C15 H17 N5 c1ccc2c(c1....
33 4BTL ic50 = 2.5 uM 5GZ C18 H22 Cl N3 O5 S CCN(CC)CCN....
34 4B85 ic50 = 88 uM B3W C12 H19 Cl N2 O2 S CCN(CC)CCN....
35 5FPP Kd = 63 uM HI6 C14 H16 N4 O3 c1cc[n+](c....
36 2HA5 - AT3 C7 H16 N O S CC(=O)SCC[....
37 2GYV - HBP C19 H26 N4 O2 c1cc[n+](c....
38 5OV9 ic50 = 2.2 uM CVI C25 H30 N3 CN(C)c1ccc....
39 2HA2 Ki = 0.021 mM SCK C14 H30 N2 O4 C[N+](C)(C....
40 4B83 - B3V C13 H22 N2 O3 S CCN(CC)CCN....
41 4A23 ic50 = 1.3 uM C56 C17 H26 N4 O4 CCN1CCC[C@....
42 2HA3 Kd = 0.93 mM CHT C5 H14 N O C[N+](C)(C....
43 2WU4 - HBP C19 H26 N4 O2 c1cc[n+](c....
44 1ODC - A8B C30 H36 N4 c1ccc2c(c1....
45 1UT6 - A8N C21 H33 N3 c1ccc2c(c1....
46 1EVE ic50 = 5.7 nM E20 C24 H29 N O3 COc1cc2c(c....
47 1H23 Ki = 4.5 nM E12 C30 H46 N4 O2 C1C[C@@H](....
48 1QTI - GNT C17 H21 N O3 C[N@@]1CC[....
49 2C4H - AT3 C7 H16 N O S CC(=O)SCC[....
50 2CEK - N8T C34 H41 N3 S c1ccc2c(c1....
51 2CMF - F11 C31 H36 N4 c1ccc2c(c1....
52 6EZG - C6K C24 H27 Cl N2 O2 COc1c2cc[n....
53 2V97 Ki ~ 20 nM CFQ C13 H19 As F3 N O3 C[As+](C)(....
54 1VOT Ki = 250 nM HUP C15 H18 N2 O C/C=C/1[C@....
55 1GPK Ki = 4.3 uM HUP C15 H18 N2 O C/C=C/1[C@....
56 2WG1 - FP1 C7 H10 N2 O CN1C=CC=C/....
57 4TVK - TJH C25 H22 Cl N3 O3 c1cc2c(c(c....
58 2VJB - CCD C8 H20 N O C[C@H](CCC....
59 3I6Z - G6X C29 H34 N2 O6 S COc1ccc2c3....
60 2ACK - EDR C10 H16 N O CC[N+](C)(....
61 2XI4 - AFT C17 H12 O6 COc1cc2c(c....
62 5E4T Ki = 40 nM MBT C16 H18 N3 S CN(C)c1ccc....
63 2C58 - ETM C5 H14 N S C[N+](C)(C....
64 2VJC - CHH C8 H18 N O CC(=O)CCC[....
65 6G1W - E0Z C27 H25 Cl N6 O3 COc1cc(ccc....
66 5NAP Ki = 11.12 nM DZ7 C24 H27 N O3 COc1cc2c(c....
67 1H22 Ki = 0.8 nM E10 C28 H42 N4 O2 C1C[C@@H](....
68 5BWC Ki = 0.061 uM HBP C19 H26 N4 O2 c1cc[n+](c....
69 1GQR - SAF C10 H15 N O C[C@@H](c1....
70 1DX6 ic50 = 652 nM GNT C17 H21 N O3 C[N@@]1CC[....
71 2VJD - CCD C8 H20 N O C[C@H](CCC....
72 2V96 Ki = 29 uM CFQ C13 H19 As F3 N O3 C[As+](C)(....
73 5NAU Ki = 29.86 nM DZ0 C23 H25 N O2 COc1ccc2c(....
74 2VJA - CCD C8 H20 N O C[C@H](CCC....
75 1GPN Ki = 0.334 uM HUB C16 H20 N2 O CC1=C[C@H]....
76 6G1U - E1K C14 H16 Cl N2 C[n+]1c2cc....
77 1JJB - PE7 C14 H30 O7 S C(COCCOCCO....
78 6FQN - E2W C23 H27 Cl N4 O2 c1cc2c(cc1....
79 1E66 Ki = 0.13 nM HUX C18 H19 Cl N2 CCC1=C[C@@....
80 1ZGC ic50 = 38.8 nM A2E C32 H44 N4 O c1ccc2c(c1....
81 3I6M - G3X C24 H34 N2 O3 COc1ccc2c3....
82 6FLD - NAG C8 H15 N O6 CC(=O)N[C@....
83 6G1V - E1N C19 H22 Cl N2 CCC1=C[C@@....
84 1ZGB ic50 = 8.8 nM A1E C32 H44 N4 O c1ccc2c(c1....
85 1W4L ic50 = 4 nM GL8 C32 H37 N2 O5 COc1ccc2c3....
86 2C5G - ETM C5 H14 N S C[N+](C)(C....
87 3ZV7 - NHG C11 H14 N2 O C[C@@]12CC....
88 2CKM Kd = 77 fM AA7 C33 H40 N4 c1ccc2c(c1....
89 1W76 ic50 = 702 nM GNT C17 H21 N O3 C[N@@]1CC[....
90 1W6R ic50 = 702 nM GNT C17 H21 N O3 C[N@@]1CC[....
91 1MX1 - THA C13 H14 N2 c1ccc2c(c1....
92 2H7C - SIA C11 H19 N O9 CC(=O)N[C@....
93 1K4Y - 4PN C10 H20 N2 C1CCN(CC1)....
94 4EY5 - HUP C15 H18 N2 O C/C=C/1[C@....
95 4EY7 - E20 C24 H29 N O3 COc1cc2c(c....
96 4M0E Ki = 0.7 uM 1YL C18 H14 O3 Cc1cccc2c1....
97 5HF9 - HI6 C14 H16 N4 O3 c1cc[n+](c....
98 5HFA - FP1 C7 H10 N2 O CN1C=CC=C/....
99 4EY6 - GNT C17 H21 N O3 C[N@@]1CC[....
100 6CQY - VX C3 H9 O3 P CCO[P@](=O....
101 4M0F Ki = 1.7 nM 1YK C29 H34 O9 C[C@@]12CC....
102 6CQW Kd = 0.00000145 M HI6 C14 H16 N4 O3 c1cc[n+](c....
103 6CQU - HI6 C14 H16 N4 O3 c1cc[n+](c....
104 6ARX - FLC C6 H5 O7 C(C(=O)[O-....
105 6ARY - FLC C6 H5 O7 C(C(=O)[O-....
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: SIA; Similar ligands found: 47
No: Ligand ECFP6 Tc MDL keys Tc
1 SIA 1 1
2 SLB 1 1
3 18D 0.758621 0.955556
4 42D 0.758621 0.875
5 NGC 0.754386 0.933333
6 NGE 0.754386 0.933333
7 MNA 0.629032 0.895833
8 79J 0.615385 0.934783
9 CNP 0.58209 0.875
10 KDN 0.568965 0.72093
11 KDM 0.568965 0.72093
12 SIA SIA 0.565789 0.826923
13 SLB SIA 0.565789 0.826923
14 SIA SIA SIA SIA SIA SIA SIA 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 FSI 0.515152 0.895833
17 6KL 0.5 0.807692
18 SFJ 0.5 0.875
19 MN0 0.485714 0.895833
20 EQP 0.470588 0.788462
21 AXP 0.470588 0.788462
22 GAL SIA 0.463415 0.86
23 SID 0.459459 0.82
24 SIA SIA SIA 0.453488 0.826923
25 MUS 0.449438 0.796296
26 NXD 0.447368 0.792453
27 SIA WIA 0.447059 0.767857
28 SIA 2FG 0.447059 0.796296
29 SLT 0.44086 0.877551
30 KDO 0.435484 0.704545
31 SIA GAL 0.435294 0.86
32 SIA NAG 0.430233 0.781818
33 4U0 0.427083 0.86
34 4U2 0.425532 0.843137
35 BND 0.416667 0.807692
36 SKD 0.414286 0.875
37 SIA SIA GAL 0.410526 0.811321
38 4U1 0.408163 0.826923
39 E3M 0.402778 0.606061
40 SIA GAL GLC 0.402062 0.86
41 BGC SIA GAL 0.402062 0.86
42 GAL BGC SIA 0.402062 0.86
43 BGC GAL SIA 0.402062 0.86
44 SIA GAL BGC 0.402062 0.86
45 GLA GLC SIA 0.402062 0.86
46 4AM 0.4 0.833333
47 DAN 0.4 0.911111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: 78
This union binding pocket(no: 1) in the query (biounit: 2h7c.bio2) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 5E58 CPZ 1.41988
3 3LL5 IP8 1.60643
4 5YZC 95C 1.67064
5 5MBC FMN 1.69972
6 5TWO 7MV 1.83824
7 4IA6 EIC 2.02952
8 2JHP GUN 2.02952
9 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.38095
10 6CB2 OLC 2.38908
11 2YIV YIV 2.39852
12 4D1J DGJ 2.40741
13 4LXH C1E 2.52708
14 2BO4 FLC 2.77078
15 4WQ2 3SU 2.89017
16 3ROE THM 3.01887
17 1TMX HGX 3.13653
18 2AAZ CB3 3.15457
19 3HYW DCQ 3.25581
20 5U83 ZN8 3.30189
21 5CX6 CDP 3.32103
22 5Y79 3PG 3.34347
23 3B9Z CO2 3.35052
24 6CS8 F9Y 3.63036
25 3W54 RNB 3.64742
26 3SP6 IL2 3.85965
27 1XQP 8HG 3.90625
28 4R57 ACO 3.97727
29 1U4J MAN 4.23729
30 5I8F ML1 4.24242
31 3RMK BML 4.24837
32 2BHW NEX 4.31034
33 1ID0 ANP 4.60526
34 4Q9M 2ZW 4.87805
35 2HHP FLC 5.09434
36 1NU4 MLA 5.15464
37 1WHT BZS 5.22876
38 4G86 BNT 5.28169
39 3TDC 0EU 5.35055
40 6FS0 E4W 5.50459
41 1EYQ NAR 5.53506
42 2Z9I GLY ALA THR VAL 5.55556
43 1HBK COA 5.61798
44 5LX9 OLB 5.6338
45 2PRG BRL 5.68182
46 3KP6 SAL 5.96026
47 1YNS HPO 6.13027
48 5W7B MYR 6.38298
49 3TDV GDP 6.45756
50 1A8S PPI 6.59341
51 5OSW DIU 6.82657
52 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 6.95652
53 6AYI C3G 7.03518
54 3R1V AZB 7.08661
55 4P86 5GP 8.19672
56 4JWK CTN 8.29016
57 6H8S FSZ 8.63787
58 1BYG STU 8.99281
59 5JIB OIA 9.22509
60 2F2G HMH 10.4072
61 3QP4 HL0 10.989
62 4WGF HX2 11.2195
63 3KO0 TFP 11.8812
64 3QP8 HL0 11.9565
65 4RJD TFP 12.1212
66 5HC0 NPO 12.6027
67 3GJ0 GDP 13.5747
68 5C9J DAO 14.1414
69 2F57 23D 14.1956
70 2Y69 CHD 17.4603
71 4OGQ SQD 18.9189
72 4OGQ 7PH 18.9189
73 5C1M OLC 21.6
74 5Z84 CHD 23.2143
75 5ZCO CHD 23.2143
76 5W97 CHD 23.2143
77 1M2Z BOG 28.5714
78 1LNX URI 37.037
Pocket No.: 2; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: 77
This union binding pocket(no: 2) in the query (biounit: 2h7c.bio2) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 3GFZ FMN 1.21065
3 3O8M GLC 1.23711
4 3O8M BGC 1.23711
5 5E4R 40E 1.42857
6 1CZA GLC 1.47601
7 4TUZ 36J 1.56863
8 1V1A KDG 1.61812
9 5WP4 PC 1.62933
10 5KOD IAC 2.21402
11 3A51 VDY 2.21402
12 2IRY DGT 2.31023
13 4V3I ASP LEU THR ARG PRO 2.33463
14 5TVA AMP 2.5
15 3B6C SDN 2.5641
16 4DO1 ANN 2.68293
17 3JU6 ARG 2.7027
18 2WDA L42 2.76753
19 1NE7 16G 2.76817
20 4DOO DAO 2.92683
21 5HCN DAO 3.06513
22 3T3Z 9PL 3.15126
23 6BR8 6OU 3.1746
24 2UW1 GVM 3.25444
25 1O68 KIV 3.27273
26 5OPM DTP 3.34728
27 1TV5 N8E 3.386
28 5AZC PGT 3.66667
29 3IX9 MTX 3.68421
30 1TL2 NDG 3.81356
31 2I6U CP 3.87454
32 1A8U BEZ 3.97112
33 5G0G TSN 4.21053
34 1HQS CIT 4.25532
35 4EKQ NPO 4.27807
36 5MWE TCE 4.28571
37 3ZGJ RMN 4.58221
38 4V1F BQ1 4.65116
39 4IBF 1D5 4.65116
40 6A46 DCM 4.6875
41 3O01 DXC 4.87013
42 3EZ2 ADP 5.02513
43 5XK9 GST 5.17241
44 5X3R 7Y3 5.36585
45 1VBO MAN MAN MAN 5.36913
46 4CIB 7UZ 5.49451
47 2CHT TSA 5.51181
48 1GPM CIT 5.52381
49 4JGP PYR 5.52995
50 6B9R 2HE 5.55556
51 3V1S 0LH 5.59006
52 1HBK MYR 5.61798
53 2C3Q GTX 5.71956
54 5XH2 NPO 5.72519
55 4JUI EGR 5.95745
56 5YJS SAL 6.15385
57 2AK3 AMP 6.19469
58 1SBR VIB 6.5
59 2ALG DAO 6.52174
60 5XNA SHV 6.52174
61 1S8G DAO 6.61157
62 5FQK 6NT 6.69145
63 1DTL BEP 6.8323
64 5Y02 MXN 7.47664
65 5KEW 6SB 7.63889
66 6C0B PAM 7.66284
67 1T0S BML 9.30233
68 5IJJ I6P 9.375
69 6AYH C3G 9.95025
70 3KIH GDL 11.3402
71 5L0R UDP 14.2857
72 2WG9 OCA 17.6923
73 3N8K D1X 18.0233
74 5DJU FMN 18.0328
75 4OGQ 1O2 18.9189
76 5C1M CLR 21.6
77 2WOR 2AN 34
Pocket No.: 3; Query (leader) PDB : 2H7C; Ligand: SIA; Similar sites found with APoc: 102
This union binding pocket(no: 3) in the query (biounit: 2h7c.bio4) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 2G50 ALA 0.943396
2 3LN0 52B 1.47601
3 5EOU ATP 1.6129
4 3V1Y NAD 1.78042
5 1LL2 UPG 1.8018
6 1DUV PSQ 1.8018
7 1RM0 D6P 1.87617
8 1SG4 CO8 1.92308
9 2R4J FAD 1.99601
10 2R4J 13P 1.99601
11 1SUW NAP 2.00803
12 1ORR NAD 2.01729
13 6ES9 FAD 2.02952
14 1MXG ACR 2.06897
15 2IMP LAC 2.08768
16 2JFQ DGL 2.0979
17 2D2I NAP 2.10526
18 4AGS GSH 2.12314
19 2ZPA ACO 2.21402
20 1OPK P16 2.22222
21 2A8Y MTA 2.22222
22 4PL7 ATP 2.27273
23 3B1J NAD 2.35988
24 3B20 NAD 2.35988
25 3ZKK XYP XYP XYP XYP 2.42131
26 2QFY AKG 2.57611
27 5UR0 NAD 2.5788
28 2VVT DGL 2.75862
29 2VVT I24 2.75862
30 2DWU DGL 2.89855
31 2B4R NAD 2.89855
32 2B4R AES 2.89855
33 1XFF GLU 2.91667
34 1EU1 MGD 2.95203
35 2ZJ5 ADP 2.95203
36 1I1E DM2 2.95203
37 5NUF NAD 2.95203
38 5NUE NAD 2.95203
39 2WZF UDP 3.04762
40 5ZAI COA 3.0888
41 2J0W ADP 3.11804
42 4ISS TAR 3.13653
43 4MDH NAD 3.29341
44 5TA6 79D 3.35196
45 5LD5 NAD 3.35196
46 1H5Q NAP 3.39623
47 3U2U UDP 3.80228
48 3KV8 FAH 4.31655
49 2GZM DGL 4.49438
50 6BSX GDP 4.49438
51 5XDT MB3 4.54545
52 6BQK Z1E 5.02283
53 4ZUL UN1 5.06823
54 2GCG NDP 5.15152
55 2VYN NAD 5.38922
56 4R6W PC 5.42636
57 4R6W SAH 5.42636
58 6G14 G4P 5.44218
59 1O7Q UDP 5.53633
60 3CIF G3H 5.57103
61 3CIF NAD 5.57103
62 1G2O IMH 5.59701
63 1CER NAD 5.74018
64 1LVW TYD 5.76271
65 5X40 ACP 5.82192
66 3CV9 VDX 6.06796
67 5B3A 0JO 6.16967
68 3T7S SAM 6.34328
69 5F7R GLC GLC 6.68317
70 4A0S NAP 6.71141
71 4N14 WR7 7.00637
72 1N62 FAD 7.22892
73 4CQM NAP 7.27969
74 4M0R 644 7.38786
75 2YVK MRU 7.48663
76 4XF6 ADP 7.69231
77 3F4F UMP 7.78443
78 3DJF BC3 8.01394
79 3CYI ATP 8.18182
80 3L8G GMB 8.55615
81 5BVA FAD 8.80196
82 1H5R THM 8.87372
83 1H5S TMP 8.87372
84 1H5T DAU 8.87372
85 2JFV FLC 8.93471
86 1I2B UPG 9.15842
87 1I2B USQ 9.15842
88 1I2B NAD 9.15842
89 1ZUW DGL 9.55882
90 2JFZ DGL 9.80392
91 2JFZ 003 9.80392
92 3SUD SUE 9.85222
93 1DUB CAA 11.1111
94 3A5Z KAA 11.5854
95 5ZEC NAP 11.9883
96 4OBW SAM 12.0623
97 3QV1 NAD 12.1951
98 5GK9 ACO 16
99 5GP0 GPP 16.1074
100 1WA5 GTP 17.0455
101 1VD3 U2P 19.3548
102 3KEE 30B 30.4348
Pocket No.: 4; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: 13
This union binding pocket(no: 4) in the query (biounit: 2h7c.bio4) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 2PZI AXX 1.66052
3 4UCC ZKW 1.71674
4 2IYG FMN 2.41935
5 2GN2 C5P 2.63158
6 3ZUY TCH 2.95203
7 4QCK ASD 3.88601
8 2GWH PCI 5.03356
9 1WB4 SXX 7.40741
10 1R6N 434 8.53081
11 4RYV ZEA 10.3226
12 5L0S UDP 14.2857
13 1RV1 IMZ 16.4706
Pocket No.: 5; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: 10
This union binding pocket(no: 5) in the query (biounit: 2h7c.bio4) has 58 residues
No: Leader PDB Ligand Sequence Similarity
1 5LNW HG3 1.89873
2 4I5I 4I5 2.09059
3 6IKG MET ALA ALA 2.76753
4 2FDW D3G 2.94118
5 2Y7P SAL 3.66972
6 5EB3 UEG 3.77358
7 1XKD ICT 4.36782
8 1M3U KPL 4.54545
9 5UC9 MYR 4.86726
10 1ZEI CRS 7.54717
Pocket No.: 6; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2h7c.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2h7c.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2h7c.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 2h7c.bio1) has 58 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: 7
This union binding pocket(no: 10) in the query (biounit: 2h7c.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 5L2R MLA 1.10701
2 1OPK MYR 2.22222
3 3ZJX BOG 2.42215
4 1YRX FMN 2.47934
5 3ZDS HMQ 3.00231
6 2QLU ADE 3.50318
7 3CH5 GDP 13.8889
Pocket No.: 11; Query (leader) PDB : 2H7C; Ligand: SIA; Similar sites found with APoc: 10
This union binding pocket(no: 11) in the query (biounit: 2h7c.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 6CI9 NAP 2.7027
2 5GUD NDP 2.76008
3 2V2V V12 3.32103
4 2RDE C2E 3.58566
5 4CS4 ANP 4.0146
6 1O97 FAD 4.375
7 1O97 AMP 4.375
8 5LKT BCO 6.08856
9 5XVG 8FX 7.84983
10 2GFD RDA 8.05085
Pocket No.: 12; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: 27
This union binding pocket(no: 12) in the query (biounit: 2h7c.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5F91 5WJ 1.0101
2 1UZ4 IFL 1.36364
3 5EGH PC 1.3986
4 4TV1 36M 1.59363
5 2D3N GLC GLC GLC 1.64948
6 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 1.67364
7 6AP8 BNY 2.60223
8 3AQT RCO 2.85714
9 2BIF SIN 2.98507
10 1WTC ACP 3.40557
11 5EY0 GTP 3.64964
12 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 3.92157
13 3CH6 311 4.1958
14 3CH6 NAP 4.1958
15 4YMX ARG 4.23077
16 2BHW XAT 4.31034
17 4JX1 CAH 4.42478
18 4JX1 CAM 4.42478
19 3RE4 TO1 4.61255
20 6FBA D48 5.15759
21 2Q8G AZX 5.40541
22 5URY PAM 6.16438
23 1GEG GLC 6.25
24 5UGW GSH 7.42857
25 5JBX MLI 9.96169
26 2Q4X HMH 10.4072
27 2IDO TMP 18.0723
Pocket No.: 13; Query (leader) PDB : 2H7C; Ligand: SIA; Similar sites found with APoc: 21
This union binding pocket(no: 13) in the query (biounit: 2h7c.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5YZC NAG 1.67064
2 2ZWS PLM 2.21402
3 1UXG NAD 2.589
4 1UXG FUM 2.589
5 4OOE FOM 2.72277
6 5HVJ ANP 2.85714
7 2ZX2 RAM 3.07692
8 2NU8 COA 3.125
9 3CGD COA 3.75
10 3CGD NAD 3.75
11 3CGD FAD 3.75
12 1MUU SUC 3.89908
13 1OCU PIB 4.93827
14 5KNK 11A 5.1051
15 5H4S RAM 7.39437
16 2QX0 PH2 8.1761
17 1Z0N BCD 8.33333
18 1H74 ADP 9.45946
19 2OFD NGA 9.85915
20 3QDW A2G 15.3846
21 3QDV A2G 15.3846
Pocket No.: 14; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 2h7c.bio3) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 2h7c.bio3) has 56 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 2H7C; Ligand: SIA; Similar sites found with APoc: 48
This union binding pocket(no: 16) in the query (biounit: 2h7c.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1CZA GLC 1.47601
2 2NPX FAD 1.566
3 2NPX NAD 1.566
4 1VJY 460 1.9802
5 1U7Z PMT 2.21239
6 5O1I 9GH 2.28311
7 6GFK SAH 2.39044
8 1Y3A GDP 2.73556
9 6GNA FAD 2.77778
10 2VOS ADP 2.95203
11 2QRK AMP 3.04569
12 5JFL NAD 3.24427
13 6EXO C3E 3.25581
14 6HSJ COA 3.38164
15 5O96 SAM 3.67347
16 2UWN SCR 3.74332
17 6GWR FEW 3.80952
18 4CNK FAD 3.83632
19 2Y3S TIR 3.87454
20 5HS2 CTP 3.87931
21 1MUU GDX 3.89908
22 5HPZ 68G 3.91061
23 1QX4 FAD 4.0146
24 3W2E NAD 4.05904
25 3W2E FAD 4.05904
26 1MV8 GDX 4.3578
27 5XDT GDP 4.54545
28 5MLR GRQ 4.86618
29 4MFZ MFK 5.30973
30 2WZG UPG 5.33333
31 2A0W DIH 5.88235
32 5GT9 NAP 6.46388
33 2XTZ GSP 6.49718
34 4MFL MFK 6.66667
35 4U9W COA 6.76329
36 3C6K MTA 7.08661
37 3C6K SPD 7.08661
38 1I52 CTP 7.20339
39 6G9I CXX 7.27273
40 2CND FAD 7.40741
41 3T4L ZEA 7.77778
42 4I4Z 2NE 8
43 5F1H 5U6 8.13008
44 4EI7 GDP 8.74036
45 4C5N ACP 10.1449
46 1B8O IMH 13.7324
47 2QHD DAO 13.9344
48 4UYE 9F9 16.9492
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