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 (88)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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 5DYW ic50 = 4.9 nM 5HF C26 H32 N2 O3 S COCCN(C[C@....
4 1P0P - BCH C9 H20 N O S CCCC(=O)SC....
5 1P0M - CHT C5 H14 N O C[N+](C)(C....
6 4AQD - GLY C2 H5 N O2 C(C(=O)O)N
7 4BDS Ki = 25 nM THA C13 H14 N2 c1ccc2c(c1....
8 5EHQ Ki = 33 pM 5O2 C41 H43 N8 c1ccc(cc1)....
9 1Q84 Ki = 8900 fM TZ4 C42 H45 N8 c1ccc(cc1)....
10 4ARB Kd = 1.3 uM C57 C17 H26 N4 O4 CCN1CCC[C@....
11 4ARA Kd = 0.9 uM C56 C17 H26 N4 O4 CCN1CCC[C@....
12 4B80 ic50 = 40 uM A36 C13 H21 F N2 O2 S CCN(CC)CCN....
13 1N5R Ki = 2.2 uM PRM C27 H34 N4 CC[N+](C)(....
14 5EHZ Ki = 2.3 pM 5NZ C41 H43 N8 c1ccc(cc1)....
15 2HA6 - SCK C14 H30 N2 O4 C[N+](C)(C....
16 2JF0 - HBP C19 H26 N4 O2 c1cc[n+](c....
17 4B82 ic50 = 41 uM B3Z C12 H19 F N2 O2 S CCN(CC)CCN....
18 2GYU - HI6 C14 H16 N4 O3 c1cc[n+](c....
19 4B7Z ic50 = 49 uM Q4Q C14 H24 N2 O2 S CCN(CC)CCN....
20 2WHQ - HI6 C14 H16 N4 O3 c1cc[n+](c....
21 1J07 Ki = 0.021 uM DCU C32 H44 N4 C[N+](C)(C....
22 1N5M - GMN C30 H60 N3 O3 CC[N+](CC)....
23 3ZLV - HI6 C14 H16 N4 O3 c1cc[n+](c....
24 5FOQ - GC8 C20 H22 Cl2 N2 O2 c1cc(ccc1C....
25 2GYW - OBI C14 H16 N4 O3 c1c[n+](cc....
26 5FUM - SOF C25 H33 N3 O2 CCN1CCN(CC....
27 2HA0 Ki = 0.023 mM CHH C8 H18 N O CC(=O)CCC[....
28 5EIE Ki = 23000 pM TZ2 C15 H17 N5 c1ccc2c(c1....
29 4BTL ic50 = 2.5 uM 5GZ C18 H22 Cl N3 O5 S CCN(CC)CCN....
30 4B85 ic50 = 88 uM B3W C12 H19 Cl N2 O2 S CCN(CC)CCN....
31 5FPP Kd = 63 uM HI6 C14 H16 N4 O3 c1cc[n+](c....
32 2HA5 - AT3 C7 H16 N O S CC(=O)SCC[....
33 2GYV - HBP C19 H26 N4 O2 c1cc[n+](c....
34 5OV9 ic50 = 2.2 uM CVI C25 H30 N3 CN(C)c1ccc....
35 2HA2 Ki = 0.021 mM SCK C14 H30 N2 O4 C[N+](C)(C....
36 4B83 - B3V C13 H22 N2 O3 S CCN(CC)CCN....
37 4A23 ic50 = 1.3 uM C56 C17 H26 N4 O4 CCN1CCC[C@....
38 2HA3 Kd = 0.93 mM CHT C5 H14 N O C[N+](C)(C....
39 2WU4 - HBP C19 H26 N4 O2 c1cc[n+](c....
40 1ODC - A8B C30 H36 N4 c1ccc2c(c1....
41 1UT6 - A8N C21 H33 N3 c1ccc2c(c1....
42 1EVE ic50 = 5.7 nM E20 C24 H29 N O3 COc1cc2c(c....
43 1H23 Ki = 4.5 nM E12 C30 H46 N4 O2 C1C[C@@H](....
44 1QTI - GNT C17 H21 N O3 C[N@@]1CC[....
45 2C4H - AT3 C7 H16 N O S CC(=O)SCC[....
46 2CEK - N8T C34 H41 N3 S c1ccc2c(c1....
47 2CMF - F11 C31 H36 N4 c1ccc2c(c1....
48 2V97 Ki ~ 20 nM CFQ C13 H19 As F3 N O3 C[As+](C)(....
49 1VOT Ki = 250 nM HUP C15 H18 N2 O C/C=C/1[C@....
50 1GPK Ki = 4.3 uM HUP C15 H18 N2 O C/C=C/1[C@....
51 2WG1 - FP1 C7 H10 N2 O CN1C=CC=C/....
52 4TVK - TJH C25 H22 Cl N3 O3 c1cc2c(c(c....
53 2VJB - CCD C8 H20 N O C[C@H](CCC....
54 3I6Z - G6X C29 H34 N2 O6 S COc1ccc2c3....
55 2ACK - EDR C10 H16 N O CC[N+](C)(....
56 2XI4 - AFT C17 H12 O6 COc1cc2c(c....
57 5E4T Ki = 40 nM MBT C16 H18 N3 S CN(C)c1ccc....
58 2C58 - ETM C5 H14 N S C[N+](C)(C....
59 2VJC - CHH C8 H18 N O CC(=O)CCC[....
60 1H22 Ki = 0.8 nM E10 C28 H42 N4 O2 C1C[C@@H](....
61 5BWC Ki = 0.061 uM HBP C19 H26 N4 O2 c1cc[n+](c....
62 1GQR - SAF C10 H15 N O C[C@@H](c1....
63 1DX6 ic50 = 652 nM GNT C17 H21 N O3 C[N@@]1CC[....
64 2VJD - CCD C8 H20 N O C[C@H](CCC....
65 2V96 Ki = 29 uM CFQ C13 H19 As F3 N O3 C[As+](C)(....
66 2VJA - CCD C8 H20 N O C[C@H](CCC....
67 1GPN Ki = 0.334 uM HUB C16 H20 N2 O CC1=C[C@H]....
68 1JJB - PE7 C14 H30 O7 S C(COCCOCCO....
69 1E66 Ki = 0.13 nM HUX C18 H19 Cl N2 CCC1=C[C@@....
70 1ZGC ic50 = 38.8 nM A2E C32 H44 N4 O c1ccc2c(c1....
71 3I6M - G3X C24 H34 N2 O3 COc1ccc2c3....
72 1ZGB ic50 = 8.8 nM A1E C32 H44 N4 O c1ccc2c(c1....
73 1W4L ic50 = 4 nM GL8 C32 H37 N2 O5 COc1ccc2c3....
74 2C5G - ETM C5 H14 N S C[N+](C)(C....
75 3ZV7 - NHG C11 H14 N2 O C[C@@]12CC....
76 2CKM Kd = 77 fM AA7 C33 H40 N4 c1ccc2c(c1....
77 1W76 ic50 = 702 nM GNT C17 H21 N O3 C[N@@]1CC[....
78 1W6R ic50 = 702 nM GNT C17 H21 N O3 C[N@@]1CC[....
79 1MX1 - THA C13 H14 N2 c1ccc2c(c1....
80 2H7C - SIA C11 H19 N O9 CC(=O)N[C@....
81 1K4Y - 4PN C10 H20 N2 C1CCN(CC1)....
82 4EY5 - HUP C15 H18 N2 O C/C=C/1[C@....
83 4EY7 - E20 C24 H29 N O3 COc1cc2c(c....
84 4M0E Ki = 0.7 uM 1YL C18 H14 O3 Cc1cccc2c1....
85 5HF9 - HI6 C14 H16 N4 O3 c1cc[n+](c....
86 5HFA - FP1 C7 H10 N2 O CN1C=CC=C/....
87 4EY6 - GNT C17 H21 N O3 C[N@@]1CC[....
88 4M0F Ki = 1.7 nM 1YK C29 H34 O9 C[C@@]12CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 197
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 CAO 0.871795 0.965909
7 AMX 0.871795 0.988235
8 30N 0.871795 0.913979
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 FAM 0.857143 0.954545
12 ACO 0.857143 0.965909
13 FCX 0.857143 0.94382
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 CA6 0.836066 0.885417
18 SOP 0.836066 0.977012
19 MCD 0.836066 0.954545
20 COK 0.836066 0.977012
21 OXK 0.836066 0.977012
22 NMX 0.829268 0.903226
23 CO6 0.829268 0.977012
24 CMC 0.829268 0.977012
25 1VU 0.829268 0.965909
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 BCO 0.816 0.977012
31 3HC 0.816 0.988372
32 1HE 0.816 0.955056
33 MLC 0.816 0.977012
34 A1S 0.816 0.977012
35 IVC 0.816 0.988372
36 COD 0.810345 0.988235
37 CAA 0.809524 0.988372
38 COO 0.809524 0.977012
39 MCA 0.809524 0.965909
40 YE1 0.809524 0.965517
41 SCA 0.80315 0.977012
42 MC4 0.80315 0.923913
43 IRC 0.796875 0.988372
44 3CP 0.796875 0.977012
45 CA8 0.796875 0.885417
46 BYC 0.796875 0.977012
47 COW 0.796875 0.965909
48 2KQ 0.796875 0.955056
49 COF 0.796875 0.955056
50 HGG 0.796875 0.977012
51 1GZ 0.796875 0.965909
52 4CA 0.790698 0.965909
53 FAQ 0.790698 0.977012
54 BCA 0.790698 0.965909
55 GRA 0.784615 0.977012
56 HXC 0.784615 0.955056
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 1CZ 0.772727 0.965909
60 CO8 0.772727 0.955056
61 S0N 0.772727 0.954545
62 2NE 0.772727 0.955056
63 CIC 0.772727 0.977012
64 0FQ 0.766917 0.977012
65 ST9 0.766917 0.955056
66 4CO 0.766917 0.965909
67 UCC 0.766917 0.955056
68 MFK 0.766917 0.955056
69 DCC 0.766917 0.955056
70 MYA 0.766917 0.955056
71 5F9 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 CS8 0.755556 0.944444
75 WCA 0.755556 0.955056
76 4KX 0.75 0.944444
77 UOQ 0.75 0.955056
78 NHW 0.75 0.955056
79 HDC 0.75 0.955056
80 NHM 0.75 0.955056
81 HFQ 0.744526 0.955056
82 MRS 0.744526 0.955056
83 MRR 0.744526 0.955056
84 DAK 0.73913 0.944444
85 YNC 0.73913 0.965909
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 1HA 0.713287 0.955056
89 01K 0.708333 0.977012
90 COT 0.703448 0.977012
91 CCQ 0.695652 0.934066
92 CA3 0.693878 0.977012
93 CA5 0.671053 0.934066
94 UCA 0.666667 0.955056
95 93P 0.666667 0.965909
96 CO7 0.664234 0.977012
97 93M 0.64557 0.965909
98 OXT 0.634146 0.913979
99 5TW 0.607143 0.913979
100 4BN 0.607143 0.913979
101 PAP 0.603604 0.811765
102 JBT 0.598837 0.894737
103 BSJ 0.592814 0.944444
104 HMG 0.581081 0.943182
105 COA MYR 0.573333 0.922222
106 PLM COA 0.573333 0.922222
107 COA PLM 0.573333 0.922222
108 A3P 0.54955 0.8
109 PPS 0.547009 0.752688
110 0WD 0.521739 0.788889
111 RFC 0.490683 0.955056
112 SFC 0.490683 0.955056
113 191 0.490196 0.865979
114 3AM 0.482143 0.788235
115 PTJ 0.48062 0.872093
116 ACE SER ASP ALY THR NH2 COA 0.478261 0.932584
117 4PS 0.477477 0.682353
118 A22 0.468254 0.813953
119 A2D 0.465517 0.802326
120 PUA 0.462585 0.820225
121 PAJ 0.460938 0.883721
122 AGS 0.459016 0.806818
123 SAP 0.459016 0.806818
124 ATR 0.459016 0.8
125 3OD 0.458015 0.825581
126 ADP 0.453782 0.823529
127 A2R 0.448819 0.813953
128 BA3 0.445378 0.802326
129 NA7 0.442748 0.858824
130 OAD 0.442748 0.825581
131 ATP 0.442623 0.823529
132 AP5 0.441667 0.802326
133 B4P 0.441667 0.802326
134 APR 0.439024 0.802326
135 5FA 0.439024 0.823529
136 2A5 0.439024 0.847059
137 AQP 0.439024 0.823529
138 AR6 0.439024 0.802326
139 AN2 0.438017 0.813953
140 48N 0.435714 0.808989
141 M33 0.434426 0.813953
142 SRP 0.429688 0.837209
143 ANP 0.428571 0.804598
144 ADQ 0.427481 0.804598
145 YLB 0.426573 0.908046
146 YLP 0.425532 0.886364
147 5AL 0.425197 0.813953
148 7D3 0.425 0.793103
149 AD9 0.424 0.804598
150 APU 0.423611 0.786517
151 7D4 0.422764 0.793103
152 CA0 0.422764 0.804598
153 25L 0.422222 0.813953
154 ATF 0.421875 0.795455
155 NJP 0.421769 0.806818
156 A2P 0.421488 0.788235
157 A A A 0.421053 0.813953
158 8QN 0.419847 0.813953
159 PNS 0.419643 0.682353
160 ACP 0.419355 0.825581
161 NDP 0.417808 0.788889
162 ACQ 0.417323 0.825581
163 A1R 0.416667 0.882353
164 ATP A A A 0.416058 0.770115
165 A 0.415254 0.8
166 AMP 0.415254 0.8
167 FYA 0.414815 0.813953
168 1ZZ 0.414815 0.842697
169 TXA 0.414815 0.816092
170 NB8 0.414815 0.808989
171 AHX 0.413534 0.829545
172 DLL 0.413534 0.793103
173 00A 0.413534 0.758242
174 PAX 0.412903 0.793478
175 OMR 0.409722 0.853933
176 25A 0.409091 0.802326
177 OOB 0.409091 0.793103
178 NPW 0.408163 0.822222
179 WAQ 0.407407 0.860465
180 A A 0.407407 0.781609
181 TAT 0.40625 0.816092
182 4AD 0.406015 0.827586
183 AMO 0.406015 0.837209
184 YAP 0.405797 0.806818
185 FA5 0.405797 0.816092
186 TXP 0.405405 0.829545
187 ABM 0.404959 0.781609
188 PRX 0.404762 0.825581
189 ME8 0.404412 0.842697
190 BIS 0.404412 0.818182
191 AFH 0.404255 0.78022
192 J7V 0.403846 0.778947
193 NAI 0.402778 0.777778
194 ODP 0.402685 0.78022
195 ADX 0.4 0.752688
196 SRA 0.4 0.784091
197 AU1 0.4 0.804598
Ligand no: 2; Ligand: SIA; Similar ligands found: 49
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 MNA 0.629032 0.895833
7 79J 0.615385 0.934783
8 SIA CMO 0.59375 0.877551
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 SLB 0.558442 0.826923
15 SLB SIA SIA 0.558442 0.826923
16 SLB SIA SIA SIA SIA 0.558442 0.826923
17 SIA SIA SIA SIA SIA SIA SIA 0.558442 0.826923
18 FSI 0.515152 0.895833
19 SFJ 0.5 0.875
20 6KL 0.5 0.807692
21 MN0 0.485714 0.895833
22 EQP 0.470588 0.788462
23 AXP 0.470588 0.788462
24 GAL SIA 0.469136 0.843137
25 SIA GAL 0.463415 0.86
26 SID 0.459459 0.82
27 SIA SIA SIA 0.453488 0.826923
28 MUS 0.449438 0.796296
29 NXD 0.447368 0.792453
30 SIA 2FG 0.447059 0.796296
31 SIA WIA 0.447059 0.767857
32 SLT 0.44086 0.877551
33 KDO 0.435484 0.704545
34 SIA NAG 0.430233 0.781818
35 4U0 0.427083 0.86
36 4U2 0.425532 0.843137
37 BND 0.416667 0.807692
38 SKD 0.414286 0.875
39 SIA SIA GAL 0.410526 0.811321
40 4U1 0.408163 0.826923
41 GLA GLC SIA 0.402062 0.86
42 GAL BGC SIA 0.402062 0.86
43 SIA BGC GAL 0.402062 0.86
44 BGC GAL SIA 0.402062 0.86
45 SIA GAL GLC 0.402062 0.86
46 BGC SIA GAL 0.402062 0.86
47 SIA GAL BGC 0.402062 0.86
48 4AM 0.4 0.833333
49 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: 24
This union binding pocket(no: 1) in the query (biounit: 2h7c.bio2) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5E58 CPZ 0.02144 0.44522 1.41988
2 3LL5 IP8 0.0339 0.43004 1.60643
3 5MBC FMN 0.04569 0.40498 1.69972
4 5TWO 7MV 0.02401 0.4105 1.83824
5 2JHP GUN 0.01677 0.4405 2.02952
6 4D1J DGJ 0.03436 0.42902 2.40741
7 4LXH C1E 0.04705 0.40152 2.52708
8 3ROE THM 0.04507 0.41825 3.01887
9 5U83 ZN8 0.04644 0.42128 3.30189
10 5CX6 CDP 0.04713 0.42219 3.32103
11 3B9Z CO2 0.03901 0.44538 3.35052
12 3W54 RNB 0.03791 0.40627 3.64742
13 3SP6 IL2 0.01114 0.42964 3.85965
14 1A8U BEZ 0.01181 0.45738 3.97112
15 4Q9M 2ZW 0.02493 0.40971 4.87805
16 2HHP FLC 0.03982 0.42299 5.09434
17 1WHT BZS 0.02557 0.43716 5.22876
18 3TDC 0EU 0.00002076 0.64051 5.35055
19 2Z9I GLY ALA THR VAL 0.02833 0.43565 5.55556
20 3TDV GDP 0.02952 0.41174 6.45756
21 1A8S PPI 0.02193 0.44306 6.59341
22 2F2G HMH 0.03836 0.43095 10.4072
23 3GJ0 GDP 0.02967 0.42467 13.5747
24 2F57 23D 0.04511 0.40823 14.1956
Pocket No.: 2; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2h7c.bio2) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2H7C; Ligand: SIA; Similar sites found: 21
This union binding pocket(no: 3) in the query (biounit: 2h7c.bio4) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SUW NAP 0.02296 0.41055 2.00803
2 2IMP LAC 0.004914 0.4091 2.08768
3 2JFQ DGL 0.005151 0.42659 2.0979
4 2ZPA ACO 0.02479 0.41052 2.21402
5 4PL7 ATP 0.02427 0.40942 2.27273
6 3B20 NAD 0.0467 0.40602 2.35988
7 2DWU DGL 0.006011 0.42313 2.89855
8 1EU1 MGD 0.01011 0.43414 2.95203
9 2J0W ADP 0.03092 0.4018 3.11804
10 5XDT MB3 0.03829 0.41151 4.54545
11 3CIF G3H 0.04821 0.41381 5.57103
12 3CIF NAD 0.03985 0.41332 5.57103
13 3T7S SAM 0.007525 0.41542 6.34328
14 4N14 WR7 0.009765 0.40611 7.00637
15 4M0R 644 0.03933 0.41109 7.38786
16 1I2B NAD 0.01433 0.45321 9.15842
17 2JFZ DGL 0.04032 0.41975 9.80392
18 2JFZ 003 0.04143 0.4192 9.80392
19 3SUD SUE 0.02694 0.40397 9.85222
20 3O9L LPN 0.04702 0.41087 10.241
21 3A5Z KAA 0.01587 0.41749 11.5854
Pocket No.: 4; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2h7c.bio4) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found: 8
This union binding pocket(no: 5) in the query (biounit: 2h7c.bio4) has 58 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.003821 0.51061 None
2 3HYW DCQ 0.03257 0.43496 3.25581
3 2Y7P SAL 0.04941 0.42096 3.66972
4 5EB3 UEG 0.004079 0.50649 3.77358
5 5I8F ML1 0.02817 0.42718 4.24242
6 5UC9 MYR 0.01833 0.44142 4.86726
7 1WB4 SXX 0.02365 0.44561 7.40741
8 1T0S BML 0.02292 0.42665 9.30233
Pocket No.: 6; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 2h7c.bio1) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 2H7C; Ligand: SIA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 2h7c.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 2h7c.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 2H7C; Ligand: SIA; Similar sites found: 8
This union binding pocket(no: 13) in the query (biounit: 2h7c.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZWS PLM 0.002167 0.45782 2.21402
2 5HVJ ANP 0.02103 0.40081 2.85714
3 3CGD FAD 0.04318 0.41912 3.75
4 3CGD COA 0.04318 0.41912 3.75
5 3CGD NAD 0.04318 0.41912 3.75
6 1MUU SUC 0.003992 0.46431 3.89908
7 1OCU PIB 0.03335 0.40167 4.93827
8 3QDW A2G 0.01473 0.40839 15.3846
Pocket No.: 14; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 2H7C; Ligand: COA; Similar sites found: 6
This union binding pocket(no: 15) in the query (biounit: 2h7c.bio3) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.03349 0.42759 None
2 1OPK MYR 0.0476 0.40127 2.22222
3 3ZJX BOG 0.03241 0.42716 2.42215
4 5HCN DAO 0.0472 0.42087 3.06513
5 2QLU ADE 0.01618 0.45659 3.50318
6 3CH5 GDP 0.04438 0.41175 13.8889
Pocket No.: 16; Query (leader) PDB : 2H7C; Ligand: SIA; Similar sites found: 14
This union binding pocket(no: 16) in the query (biounit: 2h7c.bio3) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1CZA GLC 0.01393 0.4027 1.47601
2 1UXG NAD 0.02491 0.42638 2.589
3 2QRK AMP 0.0294 0.42009 3.04569
4 4CNK FAD 0.04719 0.40813 3.83632
5 1QX4 FAD 0.02552 0.41972 4.0146
6 3W2E NAD 0.02029 0.43189 4.05904
7 3W2E FAD 0.02029 0.43189 4.05904
8 5XDT GDP 0.02247 0.41473 4.54545
9 4MFZ MFK 0.04299 0.40016 5.30973
10 2XTZ GSP 0.03665 0.40125 6.49718
11 4MFL MFK 0.03034 0.41776 6.66667
12 3C6K SPD 0.04622 0.40844 7.08661
13 3C6K MTA 0.04622 0.40844 7.08661
14 2QHD DAO 0.03254 0.42593 13.9344
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