Receptor
PDB id Resolution Class Description Source Keywords
3TO7 1.9 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF YEAST ESA1 HAT DOMAIN BOUND TO COENZYME ACTIVE SITE LYSINE ACETYLATED SACCHAROMYCES CEREVISIAE MYST FAMILY HISTONE ACETYLTRANSFERASE TRANSFERASE
Ref.: MYST PROTEIN ACETYLTRANSFERASE ACTIVITY REQUIRES AC LYSINE AUTOACETYLATION. EMBO J. V. 31 58 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAD A:501;
Invalid;
none;
submit data
137.997 C2 H7 As O2 C[As]...
COA A:500;
Valid;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
GOL A:502;
A:503;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:504;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TO7 1.9 Å EC: 2.3.1.48 CRYSTAL STRUCTURE OF YEAST ESA1 HAT DOMAIN BOUND TO COENZYME ACTIVE SITE LYSINE ACETYLATED SACCHAROMYCES CEREVISIAE MYST FAMILY HISTONE ACETYLTRANSFERASE TRANSFERASE
Ref.: MYST PROTEIN ACETYLTRANSFERASE ACTIVITY REQUIRES AC LYSINE AUTOACETYLATION. EMBO J. V. 31 58 2011
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1MJB - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 1FY7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 1MJ9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3TO9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 3TO7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
6 1MJA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 1MJB - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 1FY7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 1MJ9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3TO9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 3TO7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
6 1MJA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1MJB - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 1FY7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 1MJ9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 3TO9 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 3TO7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
6 1MJA - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TO7; Ligand: COA; Similar sites found: 567
This union binding pocket(no: 1) in the query (biounit: 3to7.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2IL4 COA 0.00001534 0.53839 None
2 3KPE TM3 0.0007403 0.49012 None
3 4JCA CIT 0.01611 0.45169 None
4 1YRX FMN 0.001644 0.43993 None
5 3W5J GDP 0.0146 0.42383 None
6 1RM4 NDP 0.0009019 0.41154 None
7 1WKL ADP 0.00585 0.40669 None
8 1MXI SAH 0.006497 0.405 None
9 4F4S EFO 0.03069 0.40338 None
10 1WKL ATP 0.007545 0.40258 None
11 4PNO U5P 0.01567 0.40059 None
12 1YOE RIB 0.001566 0.45595 0.724638
13 1VQ2 DDN 0.001499 0.43272 1.03627
14 2DVZ GLU 0.008744 0.4189 1.08696
15 1I2L DCS 0.0001574 0.46016 1.11524
16 4TMK T5A 0.004781 0.40247 1.40845
17 3B9Z CO2 0.00007183 0.53864 1.44928
18 2PUL ACP 0.001477 0.43726 1.44928
19 1V1A KDG 0.0007588 0.43344 1.44928
20 1V1A ADP 0.0003526 0.41778 1.44928
21 1E4E PHY 0.005603 0.41465 1.44928
22 2Z5Y HRM 0.0005012 0.41318 1.44928
23 1E4E ADP 0.004159 0.4122 1.44928
24 1Y1A GSH 0.0005686 0.55263 1.63934
25 2WPW ACO 0.000002182 0.57742 1.81159
26 2WPX ACO 0.00000207 0.49341 1.81159
27 2FGQ MLT 0.001231 0.47954 1.81159
28 4IMG NGF 0.0009482 0.43195 1.81159
29 2NLI LAC 0.0002376 0.41623 1.81159
30 1I2B USQ 0.002528 0.41462 1.81159
31 1I2B NAD 0.002528 0.41462 1.81159
32 1I2B UPG 0.002528 0.41462 1.81159
33 2NLI FMN 0.0002459 0.41412 1.81159
34 1KYZ SAH 0.004149 0.41223 1.81159
35 1E5F PLP 0.006838 0.41126 1.81159
36 1FBL HTA 0.0157 0.40808 1.81159
37 4P87 4NP 0.001246 0.40712 1.81159
38 2HFK E4H 0.02922 0.40436 1.81159
39 2PP3 LGT 0.001605 0.40218 1.81159
40 4TSK NDP 0.0008047 0.40013 1.81159
41 1A8S PPI 0.00169 0.44664 1.8315
42 1JJ7 ADP 0.01128 0.42775 1.92308
43 2FR6 CTN 0.002205 0.42243 2.05479
44 2FR6 URI 0.006064 0.40611 2.05479
45 3R96 AMP 0.00001266 0.52314 2.12766
46 2WCV FUC 0.02951 0.40012 2.14286
47 3CBG 4FE 0.005141 0.47947 2.15517
48 3CBG SAH 0.001102 0.4378 2.15517
49 3CBG FER 0.02724 0.43188 2.15517
50 4AVB ACO 0.0000233 0.49283 2.17391
51 1Y42 TYR 0.002669 0.45129 2.17391
52 1GPJ CIT 0.006805 0.44392 2.17391
53 3CEV ARG 0.003011 0.44357 2.17391
54 2IMP LAC 0.001335 0.42657 2.17391
55 4NAO AKG 0.02226 0.42441 2.17391
56 1RZM E4P 0.02488 0.42198 2.17391
57 3L6R MLI 0.02495 0.42192 2.17391
58 1UOU CMU 0.005609 0.41855 2.17391
59 1X8X TYR 0.009494 0.41738 2.17391
60 5EQU AKG 0.04124 0.41622 2.17391
61 1RZM PEP 0.02118 0.41071 2.17391
62 1YBH P22 0.01471 0.40928 2.17391
63 3NHB ADP 0.02813 0.40813 2.17391
64 4OYA 1VE 0.002366 0.40771 2.17391
65 4OE4 NAD 0.0009407 0.40066 2.17391
66 1C1L GAL BGC 0.02291 0.42378 2.18978
67 3OCZ SRA 0.006376 0.40879 2.29008
68 1HQL GLA MBG 0.00207 0.47576 2.33463
69 2Q2V NAD 0.0002439 0.41023 2.35294
70 2YLD CMO 0.00853 0.43921 2.3622
71 4AG9 COA 0.0000415 0.53803 2.42424
72 4KGM ATP 0.00735 0.41785 2.44898
73 1AX2 NDG GAL 0.008504 0.42863 2.51046
74 1YOA FMN 0.003712 0.49752 2.51572
75 1YOA FAD 0.002918 0.40749 2.51572
76 1HFA PIO 0.0002147 0.61156 2.53623
77 2YIV NBN 0.002149 0.47495 2.53623
78 3UDG TMP 0.006461 0.46552 2.53623
79 1SQ5 ADP 0.0006012 0.46265 2.53623
80 3TKA CTN 0.03567 0.44306 2.53623
81 1LDM OXM 0.002652 0.44088 2.53623
82 3DX5 DHB 0.004535 0.43101 2.53623
83 4IU0 ABH 0.0006703 0.42954 2.53623
84 3PC3 P1T 0.0009157 0.4286 2.53623
85 1YHM AHD 0.01177 0.42716 2.53623
86 1FP2 SAH 0.003927 0.42476 2.53623
87 3W54 RNB 0.004481 0.42247 2.53623
88 2HXT EHM 0.006772 0.41526 2.53623
89 2P69 PLP 0.02523 0.41169 2.53623
90 1WVG APR 0.001327 0.40934 2.53623
91 1GOJ ADP 0.02306 0.40933 2.53623
92 4JWX 1N4 0.02386 0.40836 2.53623
93 1F3L SAH 0.003332 0.4055 2.53623
94 2OBM ADP 0.02907 0.40475 2.53623
95 1TDF NAP 0.001219 0.40385 2.53623
96 2ZR9 DTP 0.02142 0.40377 2.53623
97 4E13 NAD 0.004962 0.40266 2.53623
98 1XP8 AGS 0.02777 0.40194 2.53623
99 1AUX AGS 0.009683 0.40186 2.53623
100 1HDG NAD 0.002317 0.40153 2.53623
101 3NFZ 3NF 0.01826 0.40149 2.53623
102 3B1F NAD 0.004591 0.40069 2.53623
103 1SQ5 PAU 0.03544 0.40053 2.53623
104 2ZJ5 ADP 0.04454 0.40005 2.53623
105 1O68 KIV 0.005798 0.43613 2.54545
106 2BZ1 TAU 0.01175 0.46822 2.55102
107 1KYQ NAD 0.006791 0.40428 2.55474
108 3KYF 5GP 5GP 0.01993 0.40365 2.5974
109 4AF5 CIT 0.01292 0.43052 2.63158
110 1Y7P RIP 0.02205 0.43043 2.69058
111 4F2Q QUS 0.005366 0.41932 2.71318
112 2VZZ SCA 0.00001907 0.4681 2.75229
113 2Y7P SAL 0.01866 0.4132 2.75229
114 1B74 DGN 0.001431 0.49172 2.75591
115 2D0V PQQ 0.003143 0.41311 2.77778
116 3TE4 ACO 0.000002687 0.54131 2.7907
117 4N7C AEF 0.01567 0.43203 2.84091
118 4JRB PGT 0.0003413 0.47277 2.89855
119 2NZ2 CIR 0.00002377 0.46128 2.89855
120 1LTH FBP 0.003142 0.46003 2.89855
121 1M1B SPV 0.002812 0.45607 2.89855
122 1ZGA SAH 0.001519 0.4413 2.89855
123 3MAG 3MA 0.02555 0.44042 2.89855
124 1LTH OXM 0.003117 0.43791 2.89855
125 2Q3M MLA 0.02109 0.43789 2.89855
126 2NZ2 ASP 0.006085 0.43518 2.89855
127 1Q11 TYE 0.007855 0.43019 2.89855
128 1ML4 PAL 0.0005513 0.42688 2.89855
129 3I7S PYR 0.02755 0.42539 2.89855
130 1AUA BOG 0.01009 0.42527 2.89855
131 2D2I NAP 0.0009379 0.4175 2.89855
132 4A6D SAM 0.002468 0.41692 2.89855
133 4U9W COA 0.004886 0.41319 2.89855
134 3MCT 3MC 0.02161 0.41031 2.89855
135 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.005121 0.40884 2.89855
136 3B20 NAD 0.001472 0.40788 2.89855
137 1ECC PCP 0.002576 0.40613 2.89855
138 4OB6 S2T 0.009985 0.40482 2.89855
139 3FPZ AHZ 0.001713 0.40337 2.89855
140 1A27 EST 0.01256 0.40092 2.89855
141 2ZI8 SDT 0.001296 0.40073 2.89855
142 2W58 ADP 0.01131 0.42964 2.9703
143 2FT0 ACO 0.00003699 0.52078 2.97872
144 1WNG SAH 0.0009833 0.43138 3.01887
145 3RO7 TDR 0.001272 0.40385 3.01887
146 2QCX PF1 0.02319 0.41341 3.04183
147 2A2X NA9 0.002979 0.41758 3.0888
148 4M7F BM3 0.0002852 0.49492 3.09735
149 2JBH 5GP 0.007389 0.42654 3.11111
150 3GD8 BOG 0.007021 0.45615 3.13901
151 3K3G MMU 0.00002279 0.54852 3.26087
152 4RJK PYR 0.003817 0.46979 3.26087
153 4O8A 2OP 0.01479 0.4462 3.26087
154 2QV7 ADP 0.0009531 0.44469 3.26087
155 2OWZ CIT 0.006964 0.44344 3.26087
156 2BO4 FLC 0.009441 0.44301 3.26087
157 1TV5 ORO 0.001227 0.43819 3.26087
158 2RCN GDP 0.003122 0.43788 3.26087
159 9LDT OXM 0.0428 0.42771 3.26087
160 4RJK TPP 0.0002489 0.42569 3.26087
161 2Q8M AMP 0.005467 0.42315 3.26087
162 3I0O SMI 0.0152 0.42198 3.26087
163 1A59 COA 0.002902 0.418 3.26087
164 1A59 CIT 0.03562 0.41414 3.26087
165 5E65 5N6 GAL 0.005196 0.41403 3.26087
166 3O03 NAP 0.0002683 0.41309 3.26087
167 4N02 FNR 0.0002279 0.41141 3.26087
168 3RC3 ANP 0.01826 0.41127 3.26087
169 4RJK TDL 0.0005295 0.40943 3.26087
170 3A2Q ACA ACA 0.006536 0.40838 3.26087
171 1TV5 N8E 0.006543 0.40488 3.26087
172 3I0O ADP 0.01921 0.40434 3.26087
173 3EE4 MYR 0.004701 0.40349 3.26087
174 1LCP PLU 0.002276 0.40178 3.26087
175 1C3V PDC 0.04289 0.40083 3.26531
176 1JA9 NDP 0.00122 0.40252 3.28467
177 1ZUW DGL 0.004155 0.43746 3.30882
178 2EB5 OXL 0.03232 0.41125 3.37079
179 3KMZ EQO 0.001944 0.40103 3.38346
180 1SJW NGV 0.006215 0.41289 3.47222
181 1G8S MET 0.0001225 0.52753 3.47826
182 4AP9 1PS 0.001503 0.42472 3.48259
183 2B4B COA 0.000003505 0.54822 3.50877
184 2B4D COA 0.00001081 0.48039 3.50877
185 1WHT BZS 0.02931 0.41332 3.51562
186 3WCS MAN NAG GAL 0.01577 0.40799 3.54331
187 3A2Y TS5 0.00164 0.43124 3.5533
188 4UA3 COA 0.005429 0.45497 3.60825
189 4C2X NHW 0.00003612 0.50816 3.62319
190 3LTW HLZ 0.0008702 0.48675 3.62319
191 2V5K OXM 0.0005916 0.46566 3.62319
192 3IB9 BTN 0.005774 0.457 3.62319
193 2W8Q SIN 0.00712 0.44911 3.62319
194 3ZF8 GDP 0.002019 0.44591 3.62319
195 1Z44 NPO 0.02926 0.4449 3.62319
196 4C2G ALA ALA ALA ALA 0.004021 0.43809 3.62319
197 3E5P PPI 0.03419 0.43637 3.62319
198 2Y0I AKG 0.008235 0.43439 3.62319
199 1NJR XYL 0.00035 0.42113 3.62319
200 1V6A TRE 0.01667 0.42011 3.62319
201 3P3N AKG 0.02341 0.41805 3.62319
202 3A1I UNU 0.009346 0.41767 3.62319
203 2XUM OGA 0.02589 0.41593 3.62319
204 4KCF AKM 0.0001618 0.41345 3.62319
205 2WA4 069 0.009683 0.4129 3.62319
206 4B7E OGA 0.03318 0.40609 3.62319
207 4EPL JAI 0.01174 0.40206 3.62319
208 2R5T ANP 0.004328 0.40158 3.62319
209 3QX9 ATP 0.03878 0.40094 3.62319
210 4COQ SAN 0.001622 0.4738 3.64372
211 1T0I FMN 0.006892 0.40404 3.66492
212 1N9L FMN 0.003315 0.41585 3.66972
213 2VEZ G6P 0.00001078 0.47172 3.68421
214 2VEZ ACO 0.00002339 0.46425 3.68421
215 4JEJ 1GP 0.006283 0.42066 3.68852
216 1LNX URI 0.02311 0.40899 3.7037
217 1Z6K OAA 0.0005214 0.46796 3.75427
218 2CBZ ATP 0.006208 0.43713 3.79747
219 1OGD RIP 0.01901 0.41284 3.81679
220 1G6H ADP 0.009785 0.43342 3.89105
221 1RYI GOA 0.005225 0.49386 3.9267
222 1IID NHM 0.0002295 0.47404 3.98551
223 4N69 SER 0.002456 0.4558 3.98551
224 3VGL BGC 0.00003542 0.44789 3.98551
225 4HZO COA 0.003561 0.44565 3.98551
226 2GWD GLU 0.003035 0.44342 3.98551
227 2ZX7 ZX7 0.00003707 0.4417 3.98551
228 4W6Z ETF 0.01987 0.43929 3.98551
229 4WBD CIT 0.01735 0.43583 3.98551
230 2Q1A 2KT 0.01192 0.43221 3.98551
231 2BLE 5GP 0.00007523 0.4299 3.98551
232 1WDA BAG 0.01087 0.4192 3.98551
233 1ZFJ IMP 0.000989 0.41803 3.98551
234 3I8P 840 0.007245 0.41028 3.98551
235 2QS8 MET 0.0009489 0.40481 3.98551
236 4H6U ACO 0.0000000594 0.6173 4
237 1PTR PRB 0.001805 0.47871 4
238 2ZE3 AKG 0.001667 0.4666 4
239 1UFY MLI 0.01875 0.42272 4.09836
240 2WIC GNP 0.0005659 0.42651 4.11985
241 3K56 IS3 0.01099 0.4068 4.13534
242 1B55 4IP 0.01551 0.40078 4.14201
243 4Q3R XA2 0.001334 0.40926 4.15584
244 4Q3S X7A 0.001242 0.40565 4.15584
245 1I4D GDP 0.02209 0.40703 4.16667
246 3RKR NAP 0.007261 0.42233 4.19847
247 1JN2 SFP 0.01446 0.48146 4.21941
248 4IEN GDP 0.0005521 0.41663 4.29448
249 4IEN COA 0.0001783 0.41253 4.29448
250 3RF4 FUN 0.00905 0.42741 4.31034
251 3IHB TRS 0.001374 0.55645 4.34783
252 1KC7 PPR 0.0006565 0.5005 4.34783
253 2AWN ADP 0.001857 0.47127 4.34783
254 3U1T MLI 0.003634 0.46363 4.34783
255 1ZED PNP 0.004627 0.45842 4.34783
256 3IHB GLU 0.00661 0.45072 4.34783
257 4ME6 ADP 0.005334 0.44316 4.34783
258 1IYK MYA 0.00005355 0.44221 4.34783
259 2OKK ABU 0.01644 0.43704 4.34783
260 2DWU DGL 0.004328 0.43669 4.34783
261 2BGM NAJ 0.00006688 0.42949 4.34783
262 1WRA PC 0.02396 0.4228 4.34783
263 1GSA ADP 0.00008171 0.41923 4.34783
264 2BH9 NAP 0.005283 0.41565 4.34783
265 3NNF AKG 0.0293 0.41332 4.34783
266 1I9G SAM 0.0001994 0.40695 4.34783
267 1GSA GSH 0.0001914 0.40295 4.34783
268 3T1A 5MA 0.008311 0.40102 4.34783
269 3F81 STT 0.001006 0.50876 4.37158
270 1Y13 BIO 0.002684 0.44066 4.41989
271 1A5V Y3 0.00401 0.44892 4.43038
272 2F59 INI 0.005726 0.40704 4.4586
273 1S8F GDP 0.001767 0.40234 4.51977
274 2OHV NHL 0.02511 0.40322 4.54545
275 1ECM TSA 0.01091 0.41914 4.58716
276 1R5A GTS 0.01847 0.4091 4.58716
277 4JP3 CIT 0.01407 0.40618 4.60251
278 2UZ2 BTN 0.005945 0.41364 4.61538
279 3A1S GDP 0.01919 0.40239 4.65116
280 1A5Z OXM 0.00103 0.49907 4.70219
281 1A5Z FBP 0.001787 0.42199 4.70219
282 1FX8 BOG 0.0001269 0.47349 4.71014
283 4E28 0MZ 0.001283 0.47188 4.71014
284 4USS GSH 0.005461 0.4373 4.71014
285 3VOZ 04A 0.001291 0.4352 4.71014
286 2F2U M77 0.004144 0.43267 4.71014
287 1O0S NAI 0.000625 0.42687 4.71014
288 3MMR ABH 0.0005985 0.42047 4.71014
289 3P7I P7I 0.0148 0.41776 4.71014
290 3CQ5 PMP 0.01733 0.41031 4.71014
291 2R00 OEG 0.02041 0.40733 4.71014
292 4E28 9MZ 0.04064 0.4064 4.71014
293 4M37 SAH 0.007189 0.40009 4.71014
294 4CVN ADP 0.03597 0.40008 4.71204
295 1QH9 LAC 0.006992 0.44336 4.74138
296 4LKK SIA GAL 0.00003509 0.48909 4.7619
297 1JH7 UVC 0.01606 0.42088 4.7619
298 3CF6 SP1 0.002206 0.43046 4.79042
299 4BCS BTN 0.004017 0.4203 4.8
300 1ZJ6 G3D 0.005838 0.42198 4.81283
301 1F5F DHT 0.003624 0.41813 4.87805
302 2HVW DDN 0.001769 0.43866 4.8913
303 1NXJ GLV 0.00006879 0.5151 4.91803
304 1NXJ TLA 0.00004218 0.49455 4.91803
305 3UIE ANP 0.0009775 0.45924 5
306 4A6F SEP 0.01316 0.45662 5
307 3UIE ADX 0.01085 0.40703 5
308 1LSS NAD 0.004179 0.4053 5
309 3RK0 AMP 0.001793 0.44311 5.06329
310 2ZPA ACO 0.0000000681 0.57896 5.07246
311 1JGS SAL 0.007344 0.48019 5.07246
312 1CKN GTP 0.001425 0.45774 5.07246
313 1WTC ACP 0.008741 0.44468 5.07246
314 3LST SAH 0.00155 0.44095 5.07246
315 3SQG COM 0.04882 0.42445 5.07246
316 1CKM GTP 0.01458 0.41361 5.07246
317 4C2Z MYA 0.00003876 0.41264 5.07246
318 1PFK ADP 0.007036 0.41078 5.07246
319 2H6T IVA VAL VAL STA ALA STA 0.006919 0.40743 5.07246
320 2NCD ADP 0.03136 0.40487 5.07246
321 1V5F TPP 0.008236 0.40419 5.07246
322 1V5F FAD 0.008236 0.40419 5.07246
323 3SQG TP7 0.01156 0.40232 5.07246
324 1JOT GAL A2G 0.00277 0.44009 5.26316
325 2AG8 NAP 0.002474 0.41335 5.32319
326 1ULE GLA GAL NAG 0.007941 0.45339 5.33333
327 3D2M COA 0.00000128 0.50977 5.43478
328 4LCQ URQ 0.00005134 0.44303 5.43478
329 1NML CIT 0.00466 0.4404 5.43478
330 1QPB TPP 0.0004928 0.41981 5.43478
331 4KCT PYR 0.0111 0.41881 5.43478
332 3GJB AKG 0.01688 0.41081 5.43478
333 2TOH HBI 0.001711 0.40889 5.43478
334 1Q7E MET 0.001258 0.40699 5.43478
335 4AG5 ADP 0.03117 0.40489 5.43478
336 3DGB MUC 0.01555 0.40438 5.43478
337 4JGT PYR 0.02952 0.40058 5.43478
338 1P1M MET 0.004634 0.40055 5.43478
339 2JE7 XMM 0.0006618 0.41578 5.43933
340 3NOJ PYR 0.0001983 0.50567 5.46218
341 1J2Z SOG 0.001146 0.43933 5.55556
342 3QDW A2G 0.001436 0.50049 5.59441
343 3QDY CBS 0.006176 0.45218 5.59441
344 3QDY A2G GAL 0.01241 0.44338 5.59441
345 3QDW NDG 0.01346 0.43533 5.59441
346 3QDT A2G GAL 0.04848 0.41253 5.59441
347 3O55 FAD 0.001034 0.41282 5.6
348 3PQC GDP 0.02182 0.41152 5.64103
349 4NVP 7CH 0.00002251 0.43215 5.74163
350 1XX4 BAM 0.0004981 0.48742 5.74713
351 1H2M OGA 0.02565 0.41613 5.76923
352 1UAY ADN 0.002755 0.43094 5.78512
353 3SJK LYS PRO VAL LEU ARG THR ALA 0.04062 0.40152 5.78947
354 4M5P MLA 0.001886 0.50378 5.7971
355 4MOB ADP 0.000363 0.45856 5.7971
356 2IZ1 ATR 0.004068 0.45465 5.7971
357 2XDQ MGX 0.01229 0.45053 5.7971
358 4CIB 7UZ 0.006144 0.44031 5.7971
359 4PB2 5UD 0.00148 0.42885 5.7971
360 4BPM GSH 0.0004137 0.42564 5.7971
361 4MOB COA 0.00003232 0.41869 5.7971
362 4M5P 23W 0.0376 0.41833 5.7971
363 2HEK GDP 0.01446 0.41229 5.7971
364 3TFC PEP 0.01959 0.41225 5.7971
365 1UBY DMA 0.005621 0.41088 5.7971
366 2QF7 COA 0.01022 0.40808 5.7971
367 2XT3 ADP 0.0287 0.40692 5.7971
368 2BES RES 0.01688 0.4051 5.81395
369 2VMD MBG 0.003627 0.47896 5.83658
370 5GVR LMR 0.001415 0.48205 5.98291
371 1JAC AMG 0.03839 0.4304 6.01504
372 5FVJ ACO 0.007825 0.43026 6.0241
373 1PUA COA 0.0000002436 0.60559 6.13497
374 2ZW5 COA 0.00002156 0.48507 6.15942
375 4LHM AZZ 0.01265 0.42572 6.15942
376 2CE7 ADP 0.007238 0.4141 6.15942
377 2X7I CIT 0.01377 0.41334 6.15942
378 1KWK GAL 0.005293 0.40831 6.15942
379 1OWB NAD 0.0009048 0.40115 6.15942
380 3UEC ALA ARG TPO LYS 0.02189 0.42478 6.16438
381 1QSN COA 0.0000002397 0.6059 6.17284
382 1Q2D COA 0.0000004405 0.60165 6.17284
383 1QSR ACO 0.00000004693 0.6007 6.17284
384 1Q2C COA 0.0000299 0.47655 6.17284
385 2DTJ THR 0.006532 0.42428 6.17978
386 4K30 NLG 0.02581 0.40769 6.25
387 1XX6 ADP 0.01325 0.41122 6.28272
388 2WMO GTP 0.01606 0.40016 6.31579
389 1QY1 PRZ 0.005204 0.40193 6.32184
390 1Y2W NAG 0.0005317 0.497 6.33803
391 2HV8 GTP 0.00202 0.40651 6.39535
392 3SXN COA 0.0000133 0.51769 6.52174
393 1G6O ADP 0.0001026 0.44515 6.52174
394 4AMV F6R 0.004635 0.41787 6.52174
395 4AF0 MOA 0.001608 0.40978 6.52174
396 2GN2 C5P 0.006353 0.40885 6.52174
397 1QW9 KHP 0.001907 0.40426 6.52174
398 2FH5 GTP 0.002855 0.41462 6.54206
399 4K7O EKZ 0.04063 0.41125 6.54762
400 1IM8 SAI 0.004093 0.40562 6.55738
401 2ZO9 MLI 0.02138 0.40047 6.56934
402 2YD6 FLC 0.01128 0.46573 6.60377
403 3NGU ADP 0.004311 0.42314 6.62252
404 3KMT SAH 0.01112 0.4066 6.72269
405 1I1Q TRP 0.009865 0.42105 6.77083
406 1I1D COA 0.0000002688 0.57649 6.8323
407 1I1D 16G 0.000002594 0.48703 6.8323
408 4EXO PYR 0.008888 0.45086 6.84932
409 2Q8H TF4 0.00003045 0.58996 6.88406
410 2DPY ADP 0.00509 0.44458 6.88406
411 2OG2 MLI 0.003715 0.42615 7.24638
412 3B9Q MLI 0.01012 0.41343 7.24638
413 4J7H TRH 0.005242 0.40506 7.24638
414 2O2C G6Q 0.01153 0.40237 7.24638
415 1LYX PGA 0.007302 0.41395 7.25806
416 1YFZ IMP 0.004576 0.44626 7.31707
417 1EDO NAP 0.00002285 0.4511 7.37705
418 4KOT CE3 0.00002519 0.42635 7.40741
419 1UW1 ADP 0.02825 0.40938 7.5
420 4B16 NAG 0.002772 0.49445 7.5188
421 1TH8 ADP 0.002019 0.4459 7.58621
422 2YNC YNC 0.00005008 0.4966 7.6087
423 4WVH ASP HIS ASP ALA HIS ALA 0.007066 0.42739 7.6087
424 1T10 F6P 0.01933 0.41711 7.6087
425 3S9K CIT 0.0004402 0.57305 7.62712
426 2Q4V ACO 0.0000001345 0.57232 7.64706
427 4Q3F TLA 0.002976 0.46116 7.69231
428 1FMB HYB 0.01014 0.41207 7.69231
429 1M4I KAN 0.00008786 0.40925 7.73481
430 1BO4 COA 0.0000006 0.62892 7.7381
431 2YDW WSH 0.01407 0.4101 7.84314
432 1MQ0 BRD 0.003751 0.42556 7.85714
433 1GHE ACO 0.000004521 0.51599 7.9096
434 3I8T LBT 0.008796 0.42797 7.92683
435 1P0H COA 0.000001619 0.59021 7.97101
436 1P0H ACO 0.000001705 0.59021 7.97101
437 2JFV FLC 0.001131 0.4813 7.97101
438 2ZWS PLM 0.008686 0.47592 7.97101
439 1O7N IND 0.000192 0.44826 7.97101
440 3ZPG 5GP 0.01786 0.44179 7.97101
441 3F8K COA 0.000001046 0.55243 8.125
442 3EJ0 11X 0.001012 0.47338 8.16327
443 1KUV CA5 0.0000002108 0.58832 8.21256
444 4NTX AMR 0.002207 0.45792 8.33333
445 4CCO OGA 0.003571 0.4456 8.33333
446 2YP9 SIA CMO 0.001303 0.43718 8.33333
447 2VAR AMP 0.003401 0.43631 8.33333
448 3LRE ADP 0.01934 0.41323 8.33333
449 2VAR KDG 0.009619 0.41302 8.33333
450 1HV9 UD1 0.0002876 0.41116 8.33333
451 3HF3 FMN 0.00251 0.40975 8.33333
452 2VAR KDF 0.01533 0.40464 8.33333
453 2VAR ANP 0.004398 0.40451 8.33333
454 3HAZ NAD 0.0007985 0.40416 8.33333
455 1UJ5 5RP 0.01368 0.40669 8.37004
456 4QC6 30N 0.00009763 0.47646 8.37989
457 1H8G CHT 0.03427 0.44084 8.42105
458 3BY8 MLT 0.01279 0.43644 8.4507
459 1FWE HAE 0.0002131 0.4937 8.49057
460 4G1V FAD 0.0001546 0.44147 8.5213
461 1QD0 RR6 0.004906 0.4251 8.59375
462 1NP0 NGT 0.04638 0.40359 8.62069
463 1QO0 BMD 0.01483 0.42763 8.69565
464 1PEA ACM 0.02616 0.42656 8.69565
465 2BII MTV 0.00304 0.40371 8.69565
466 1WUW TSU 0.02354 0.41686 8.88889
467 4AIG FLX 0.003657 0.43497 8.95522
468 4A8H PUW 0.00001676 0.45177 9.05797
469 4B9E FAH 0.01244 0.43704 9.05797
470 4C6F DOR 0.0116 0.41368 9.05797
471 4C6F NCD 0.0116 0.41368 9.05797
472 3NKS ACJ 0.008249 0.40807 9.05797
473 2IYL GDP 0.02003 0.40523 9.05797
474 3SSO SAH 0.004201 0.40522 9.05797
475 3BHO B4P 0.03295 0.43416 9.13461
476 1DL7 NCH 0.02101 0.4534 9.17431
477 3ZJ0 ACO 0.000015 0.50048 9.2233
478 4R3L COA 0.0000003937 0.57269 9.24856
479 1NU4 MLA 0.002373 0.44808 9.27835
480 2Q37 3AL 0.001143 0.47421 9.39227
481 4UAL 3FV 0.000749 0.44418 9.42029
482 3I6B KDO 0.009083 0.42734 9.44444
483 3BPX SAL 0.02156 0.4113 9.45946
484 1QDS PGA 0.002821 0.43975 9.56175
485 1JSH SIA GAL 0.00002612 0.47813 9.65909
486 2VBQ BSJ 0.000004902 0.46189 9.69697
487 3E81 SLB 0.0374 0.40364 9.7561
488 1GXU 2HP 0.00004832 0.52483 9.89011
489 2VQ5 HBA 0.02361 0.42312 9.95025
490 2VQ5 LDP 0.0491 0.41794 9.95025
491 4B5P ACO 0.00000002194 0.61923 10
492 4GO7 THR 0.0005776 0.46892 10
493 1RYD GLC 0.002056 0.46886 10.0775
494 3VCA PRO 0.001243 0.46931 10.1449
495 3QV9 QV7 0.006412 0.43945 10.1449
496 1CJW COT 0.0000007891 0.55852 10.241
497 4F8L GAL 0.007526 0.47957 10.3448
498 2CNT COA 0.00000004079 0.59556 10.625
499 1FA2 DOM 0.000582 0.41122 10.8696
500 1D09 PAL 0.003273 0.4062 10.8696
501 4UBP HAE 0.002296 0.41626 10.8911
502 2XRH NIO 0.02219 0.42448 11
503 3O7B SAH 0.0004991 0.44635 11.0656
504 1SS4 CIT 0.000005325 0.68537 11.1111
505 1SS4 GSH 0.00451 0.4971 11.1111
506 3NJQ NJQ 0.000813 0.41296 11.399
507 3CH5 GDP 0.0102 0.41197 11.5385
508 2CW6 3HG 0.028 0.43123 11.5942
509 1GJW GLC 0.0246 0.42223 11.9565
510 2E1A MSE 0.00127 0.45992 12
511 2HVK TBA 0.001909 0.47041 12.0968
512 4LFL TG6 0.02117 0.40254 12.2093
513 2X2T GAL NGA 0.01098 0.45315 12.4183
514 3KJQ B94 0.01099 0.41062 12.6316
515 2OFD NGA 0.001891 0.4706 12.6761
516 2OFE NAG 0.02306 0.41837 12.6761
517 3SJ0 DXC 0.03192 0.41654 12.6761
518 2Z9V PXM 0.005183 0.43832 12.6812
519 4G28 0W8 0.004287 0.43687 12.7451
520 2ZSC BTN 0.01595 0.40028 12.766
521 1JI0 ATP 0.01157 0.42597 12.9167
522 1T26 GBD 0.000461 0.42683 13.0435
523 1T26 NAI 0.000461 0.42683 13.0435
524 5D63 FUC GLA GLA 0.01541 0.42683 13.0435
525 2PFC PLM 0.003059 0.43355 13.1148
526 1YQT ADP 0.01013 0.43042 13.7681
527 1TIQ COA 0.000001312 0.48437 13.8889
528 1D3V ABH 0.0003565 0.42772 14.1304
529 2ALG HP6 0.004678 0.40356 14.1304
530 2ALG DAO 0.004678 0.40356 14.1304
531 1PKK DCP 0.003813 0.40348 14.2157
532 4CCN OGA 0.008769 0.43863 14.2857
533 2VKL MLT 0.006096 0.47533 14.4444
534 4FGC PQ0 0.00344 0.45201 14.5455
535 2IMG MLT 0.03372 0.40064 14.5695
536 1UO4 PIH 0.02459 0.44135 14.7059
537 1W7J ADP BEF 0.002279 0.4258 14.8551
538 1WWZ ACO 0.0000001125 0.5929 15.0943
539 1SC3 MLI 0.01098 0.44611 15.1685
540 4DN8 BMA 0.001247 0.47927 15.3846
541 1CM0 COA 0.000001485 0.59278 15.4762
542 2O66 FLC 0.0296 0.40843 15.5556
543 1Q6O LG6 0.01147 0.40247 15.7407
544 1MOQ GLP 0.002413 0.42097 15.942
545 4LO6 SIA GAL 0.0004749 0.51181 16.3158
546 1S7N COA 0.00002484 0.51144 16.4835
547 3R51 MMA 0.02041 0.43866 16.875
548 2QLX RM4 0.01823 0.42875 17.5926
549 4KVX ACO 0.00000005905 0.59932 17.9487
550 1N71 COA 0.00001322 0.52328 18.3333
551 1NF8 BOG 0.02643 0.42067 18.3575
552 1TUV VK3 0.01379 0.44784 18.4211
553 2JDC CAO 0.00002619 0.46982 18.4932
554 2BOI MFU 0.03089 0.40325 18.5841
555 1BTN I3P 0.004008 0.49419 18.8679
556 2QQC AG2 0.01095 0.42938 19.6429
557 1T0S BML 0.009748 0.44879 19.7674
558 1Q3P GLU ALA GLN THR ARG LEU 0.01149 0.40243 20.1835
559 2V5E SCR 0.009884 0.46359 21.7822
560 1F7K UMP 0.001281 0.41469 22.0588
561 1P9B HDA 0.02569 0.41132 22.4638
562 3TK1 GDP 0.01942 0.41418 22.8261
563 2GJ3 FAD 0.0002811 0.41599 23.3333
564 3EYK EYK 0.001466 0.4759 25
565 6FIV 3TL 0.01056 0.40751 25.6637
566 1O9U ADZ 0.0159 0.44451 27.7778
567 1H2K OGA 0.01933 0.42208 39.0244
Pocket No.: 2; Query (leader) PDB : 3TO7; Ligand: COA; Similar sites found: 17
This union binding pocket(no: 2) in the query (biounit: 3to7.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4PPF FLC 0.001926 0.47278 1.81159
2 3R96 ACO 0.00001266 0.52314 2.12766
3 4R2I ANP 0.0009983 0.4814 2.85714
4 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 0.03273 0.40327 2.89855
5 5JPH COA 0.000007348 0.48822 3.47222
6 5TSH ADP 0.01772 0.41847 3.98551
7 5FQK 6NT 0.02405 0.41135 4.08922
8 4ZNO SUC 0.03244 0.40676 4.71014
9 4XPL ACO 0.001497 0.44242 4.90798
10 2GUD BMA 0.03613 0.40276 5.7377
11 4WGF HX2 0.02161 0.40472 5.85366
12 1M4I PAP 0.00008786 0.40925 7.73481
13 1M4I COA 0.00008786 0.40925 7.73481
14 5E5U MLI 0.03309 0.41576 8.0402
15 5K04 COA 0.00002327 0.50234 8.23529
16 4RI1 ACO 0.0002915 0.43085 9.13978
17 4ONT SIA GAL BGC 0.006248 0.44286 16.2791
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