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Receptor
PDB id Resolution Class Description Source Keywords
5CAE 2.2 Å EC: 6.2.1.4 SUCCINATE BOUND TO PIG GTP-SPECIFIC SUCCINYL-COA SYNTHETASE SUS SCROFA LIGASE
Ref.: STRUCTURAL BASIS FOR THE BINDING OF SUCCINATE TO SUCCINYL-COA SYNTHETASE. ACTA CRYSTALLOGR D STRUCT V. 72 912 2016 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:403;
B:403;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG B:401;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
COA A:401;
Valid;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
PO4 A:404;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
CL A:402;
Invalid;
none;
submit data
35.453 Cl [Cl-]
SIN B:402;
Valid;
none;
Ki = 50 mM
118.088 C4 H6 O4 C(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CAE 2.2 Å EC: 6.2.1.4 SUCCINATE BOUND TO PIG GTP-SPECIFIC SUCCINYL-COA SYNTHETASE SUS SCROFA LIGASE
Ref.: STRUCTURAL BASIS FOR THE BINDING OF SUCCINATE TO SUCCINYL-COA SYNTHETASE. ACTA CRYSTALLOGR D STRUCT V. 72 912 2016 BIOL
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2FP4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 5CAE Ki = 50 mM SIN C4 H6 O4 C(CC(=O)O)....
3 4XX0 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2FP4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
2 5CAE Ki = 50 mM SIN C4 H6 O4 C(CC(=O)O)....
3 4XX0 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1JKJ - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1SCU - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
3 2SCU - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
4 2NU8 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 2NU7 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
6 2FP4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
7 5CAE Ki = 50 mM SIN C4 H6 O4 C(CC(=O)O)....
8 4XX0 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
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: SIN; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 SIN 1 1
2 3OH 0.6 0.65
3 SHF 0.588235 0.684211
4 BUA 0.5625 0.611111
5 SLP 0.5625 0.6
6 0L1 0.5625 0.833333
7 GUA 0.5625 0.882353
8 AKG 0.526316 0.833333
9 PML 0.5 0.789474
10 MLA 0.5 0.722222
11 2IT 0.5 0.625
12 SSN 0.473684 0.866667
13 AZ1 0.473684 0.75
14 OKG 0.454545 0.7
15 TCE 0.45 0.625
16 SHO 0.428571 0.619048
17 9J3 0.416667 0.608696
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CAE; Ligand: SIN; Similar sites found with APoc: 676
This union binding pocket(no: 1) in the query (biounit: 5cae.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 2IVD FAD 1.91693
2 4EDF UPG 1.91693
3 4R1S NAP 1.91693
4 1BXK NAD 1.97183
5 1YJQ NAP 1.9802
6 4Z0H NAD 2.09581
7 1P77 ATR 2.20588
8 1EBF NAD 2.23464
9 1KEW NAD 2.23642
10 1KEW TYD 2.23642
11 5U5G NAP 2.37288
12 4CME NAP 2.43056
13 3JQ8 NAP 2.43056
14 4CM9 NAP 2.43056
15 3BMN NAP 2.43056
16 4CLO NAP 2.43056
17 3BMO NAP 2.43056
18 4CM4 NAP 2.43056
19 4CM8 NAP 2.43056
20 5JDI NAP 2.43056
21 3JQ9 NAP 2.43056
22 3BMQ NAP 2.43056
23 3JQB NAP 2.43056
24 4CMI NAP 2.43056
25 5JCJ NAP 2.43056
26 4CLR NAP 2.43056
27 1B8U NAD 2.43161
28 1B8U OAA 2.43161
29 1SAY PYR 2.49307
30 1GQ2 NAP 2.53165
31 3NJ4 NAD 2.53165
32 1DLJ NAI 2.53165
33 3NJ4 AFX 2.53165
34 1DLJ UGA 2.53165
35 1DJN ADP 2.53165
36 4O0L NDP 2.54545
37 1YS4 NAP 2.55591
38 5UR0 NAD 2.55591
39 2O4C NAD 2.55591
40 1GAD NAD 2.55591
41 4JBI NDP 2.55591
42 5DN9 NAD 2.55591
43 1UP7 NAD 2.55591
44 3GGO NAI 2.55591
45 3GGO ENO 2.55591
46 1F8G NAD 2.55591
47 1Z45 NAD 2.55591
48 1Q0H FOM 2.55591
49 1Q0H NDP 2.55591
50 3EF0 ALF 2.55591
51 1RSG FAD 2.55591
52 1YY5 FAD 2.55591
53 1WPQ NAD 2.5788
54 2CUL FAD 2.58621
55 2VZ0 NAP 2.61194
56 2VZ0 D64 2.61194
57 2D2I NAP 2.63158
58 1CF2 NAP 2.67062
59 1CDO NAD 2.6738
60 1FK8 NAD 2.72374
61 2GZ3 NAP 2.73224
62 3B1F NAD 2.75862
63 1UY4 XYP XYP XYP XYP 2.75862
64 5VKT NAP 2.76243
65 5Y77 FAD 2.78481
66 2EWM NAD 2.81124
67 2G5C NAD 2.84698
68 4KQW NAP 2.85714
69 4L8V NAP 2.8754
70 4KP7 NAP 2.8754
71 4KP7 1UQ 2.8754
72 4UZI IMD 2.8754
73 2Z3Y F2N 2.8754
74 6EL3 NAP 2.8754
75 6ER9 FAD 2.8754
76 6ER9 NAP 2.8754
77 5NMX NAP 2.8754
78 1DCP HBI 2.88462
79 3KO8 NAD 2.88462
80 1ZH8 NAP 2.94118
81 1RM4 NDP 2.96736
82 3CMC NAD 2.99401
83 5N6C NAD 3
84 1J49 NAD 3.003
85 6BII NAP 3.003
86 5J5Z FAD 3.03797
87 1U1I NAD 3.06122
88 5Z21 NAI 3.07263
89 5F5N NAD 3.11419
90 1HKU NAD 3.19489
91 6F3N ADN 3.19489
92 6F3N NAD 3.19489
93 5TC4 NAD 3.19489
94 3L4S NAD 3.19489
95 3L4S 3PG 3.19489
96 1EZ4 NAD 3.19489
97 5FI3 NAP 3.19489
98 4PLG OXM 3.19489
99 4PLG NAI 3.19489
100 6F3M NAD 3.19489
101 2GSD NAD 3.19489
102 6EGU 43Y 3.19489
103 3FPZ AHZ 3.19489
104 3CGD FAD 3.19489
105 2QRK AMP 3.19489
106 3CGD COA 3.19489
107 4M52 FAD 3.19489
108 3K7M FAD 3.19489
109 2A8X FAD 3.19489
110 3CGD NAD 3.19489
111 4M52 M52 3.19489
112 1U3U NAD 3.20856
113 1U3U BNF 3.20856
114 1DIG NAP 3.26797
115 1HDR NAD 3.27869
116 6A0S NDP 3.31325
117 6A0S HSE 3.31325
118 2DT5 NAD 3.31754
119 1I36 NAP 3.40909
120 4RDH AMP 3.47222
121 4RDI ATP 3.47222
122 1NVT NAP 3.48432
123 1Y1P NMN AMP PO4 3.50877
124 1RM0 D6P 3.51438
125 1ZEM NAD 3.51438
126 1RM0 NAI 3.51438
127 2NVK NAP 3.51438
128 5MIT FAD 3.51438
129 5MIT NAP 3.51438
130 3WMX NAD 3.51438
131 5G3U ITW 3.51438
132 2WPF WPF 3.51438
133 2WPF FAD 3.51438
134 1K3T BRZ 3.51438
135 1KEV NDP 3.51438
136 5G3U FDA 3.51438
137 5ZBC FAD 3.51438
138 1GY8 NAD 3.52645
139 3OND ADN 3.5443
140 3OND NAD 3.5443
141 1GZ4 ATP 3.5443
142 2WET FAD 3.5443
143 2VYN NAD 3.59281
144 3KB6 NAD 3.59281
145 1V6A TRE 3.61446
146 5X9D 80F 3.61842
147 4D79 ATP 3.62319
148 5T9E NAP 3.69004
149 1NYT NAP 3.69004
150 5T9F NAP 3.69004
151 5T9F TYR 3.69004
152 1TI7 NAP 3.69318
153 2VUT NAD 3.69318
154 3RFV NAI 3.74532
155 1LTH NAD 3.76176
156 1LDN NAD 3.79747
157 1VJT NAD 3.79747
158 6H45 QEI 3.82653
159 5UAV NDP 3.83387
160 5UAV TFB 3.83387
161 3C1O NAP 3.83387
162 2CDC XYP 3.83387
163 2CDC XYS 3.83387
164 2YYY NAP 3.83387
165 1U8X NAD 3.83387
166 2CDC NAP 3.83387
167 3AXB FAD 3.83387
168 3AXB PRO 3.83387
169 6BWL NAD 3.83387
170 4B7X NAP 3.83387
171 5EZ7 FAD 3.83387
172 5X20 NAD 3.84615
173 1GUZ NAD 3.87097
174 2GLX NDP 3.91566
175 4PLT OXM 3.92749
176 4PLT NAI 3.92749
177 6GAS FAD 3.92749
178 2BGM NAJ 3.95683
179 3Q3C NAD 4.01338
180 1OC2 TDX 4.02299
181 1OC2 NAD 4.02299
182 3H9E NAD 4.04624
183 1BZL GCG 4.05063
184 1BZL FAD 4.05063
185 3UCL CYH 4.05063
186 3UCL NAP 4.05063
187 3UCL FAD 4.05063
188 5Y8L HUI 4.0678
189 5Y8L NAD 4.0678
190 4CJX NAP 4.07523
191 1UDB UFG 4.14201
192 1UDB NAD 4.14201
193 1H5Q NAP 4.15094
194 1HDG NAD 4.15335
195 1RYD NDP 4.15335
196 1H6C NDP 4.15335
197 1H6C SIN 4.15335
198 5HTX ADP 4.15335
199 3SQP FAD 4.15335
200 2AOT SAH 4.15335
201 1OBB NAD 4.15335
202 4J1Q NDP 4.15335
203 2OOR NAD 4.16667
204 2D5A COA 4.16667
205 3W6G FLC 4.16667
206 1NM5 NAD 4.16667
207 1GV0 NAD 4.19355
208 4KOA NDP 4.2042
209 2AHR NAP 4.2471
210 4B4U NAP 4.29043
211 3K5I AIR 4.3038
212 1XHC FAD 4.35967
213 1LLU NAD 4.38596
214 1R6D NAD 4.45104
215 1R6D DAU 4.45104
216 1VL0 NAI 4.45205
217 1H2B NAJ 4.45682
218 5AOV NAP 4.46429
219 5JE8 NAD 4.47284
220 3ICS ADP 4.47284
221 3ICT ADP 4.47284
222 4ZGS NAD 4.47284
223 1J0X NAD 4.47284
224 4R5M NAP 4.47284
225 4R5M 4NO 4.47284
226 5MDH NAD 4.47284
227 2NAD NAD 4.47284
228 4FWE FAD 4.47284
229 5THQ NDP 4.47284
230 4MDH NAD 4.47284
231 5OVL NAP 4.47284
232 1KJ8 GAR 4.47284
233 3H4V NAP 4.47284
234 5XWV NDP 4.47284
235 1H82 FAD 4.47284
236 1H82 GZZ 4.47284
237 5XWV 8H6 4.47284
238 1YQD NAP 4.47284
239 4YKG NAD 4.47284
240 5Z2F NAP 4.5283
241 2JL1 NAP 4.52962
242 1O0S NAI 4.55696
243 1ORR NAD 4.55696
244 4E13 NAD 4.59364
245 6A3J SOE 4.63415
246 6A3J NAI 4.63415
247 1W73 NAP 4.63576
248 1W8D NAP 4.63576
249 1W6U NAP 4.63576
250 2GN4 UD1 4.65116
251 2GN4 NDP 4.65116
252 5KVS NAP 4.67532
253 5KVS 6XR 4.67532
254 4DPL NAP 4.73538
255 5N2I NAP 4.74138
256 2DBZ NAP 4.79042
257 5H81 NAP 4.79233
258 4XDZ NDP 4.79233
259 1E5Q NDP 4.79233
260 2Q1S NAI 4.79233
261 1V8B NAD 4.79233
262 5E4R NAP 4.79233
263 1LC3 NAD 4.79233
264 1QMG APX 4.79233
265 2JHP SAH 4.79233
266 3S5W NAP 4.81013
267 1RPN NDP 4.81013
268 3S5W FAD 4.81013
269 1SZ2 BGC 4.81928
270 5VN0 NAI 4.82625
271 5O9F NAD 4.82955
272 5O9F 9ON 4.82955
273 5D4V SAH 4.85075
274 3VYW SAM 4.87013
275 5BJX UDP 4.91803
276 5BJX NAD 4.91803
277 1O6Z NAD 4.9505
278 2QZZ NAP 5.03145
279 2QZZ EMF 5.03145
280 3WQQ IB3 5.06329
281 3WQQ NDP 5.06329
282 5OVK NDP 5.07812
283 2CDU ADP 5.11182
284 2HJR APR 5.11182
285 1PL6 NAD 5.11182
286 2GCG NDP 5.11182
287 3ULK NDP 5.11182
288 3CIF NAD 5.11182
289 4XYB NDP 5.11182
290 1N1G BCP 5.11182
291 4YT4 FE9 5.11182
292 2CVQ NDP 5.11182
293 3O9Z NAD 5.11182
294 3O9Z AKG 5.11182
295 1PL6 572 5.11182
296 3I6I NDP 5.11182
297 2B4R NAD 5.11182
298 3V1U NAD 5.11182
299 3CIF G3H 5.11182
300 2B4R AES 5.11182
301 5MBX FAD 5.11182
302 5MBX SP5 5.11182
303 1YKJ FAD 5.11182
304 1YKJ PHB 5.11182
305 5FEU NAP 5.11182
306 4AP3 FAD 5.11182
307 4AP3 NAP 5.11182
308 1GR0 NAD 5.17711
309 3ABI NAD 5.20548
310 4URF NAD 5.24194
311 1VL8 NAP 5.24345
312 3T31 DCQ 5.26316
313 3T31 FAD 5.26316
314 5A04 BGC 5.30973
315 5A04 NDP 5.30973
316 1F06 NDP 5.3125
317 2NPX NAD 5.31646
318 5FJN FAD 5.31646
319 5FJN BE2 5.31646
320 4ZCC NAI 5.35714
321 4ZCC FAD 5.35714
322 4YAC NAI 5.38721
323 2I3G NAP 5.39773
324 1ZQ9 SAM 5.43131
325 1NPD NAD 5.43131
326 1D1T NAD 5.43131
327 4CQM NAP 5.43131
328 1GZ6 NAI 5.43131
329 1VI2 NAD 5.43131
330 2YVF FAD 5.43131
331 2YVF NAD 5.43131
332 3WLE NAD 5.43131
333 1DSS NAD 5.43131
334 5KJW 53C 5.43131
335 2Q7V FAD 5.43131
336 2V6G NAP 5.49451
337 3AY6 NAI 5.57621
338 3ORF NAD 5.57769
339 3A06 NDP 5.58511
340 3A06 FOM 5.58511
341 2DTX BMA 5.68182
342 4DE3 DN8 5.70342
343 9LDT NAD 5.72289
344 9LDB NAD 5.72289
345 1GEE NAD 5.74713
346 1OMO NAD 5.7508
347 1BW9 NAD 5.7508
348 1C1X NAD 5.7508
349 1BXG NAD 5.7508
350 4E5N NAD 5.7508
351 1HYH NAD 5.7508
352 3DAG FEG 5.7508
353 3AYI FAD 5.7508
354 3AYI HCI 5.7508
355 1REO FAD 5.7508
356 5TS5 FAD 5.7508
357 2B5W NAP 5.7508
358 1E6W NAD 5.7508
359 1E3W NAD 5.7508
360 2VVM FAD 5.7508
361 2VVL FAD 5.7508
362 3LN9 FLC 5.7554
363 1R37 NAD 5.76369
364 1UAY ADN 5.78512
365 4D3F NAP 5.80645
366 5TWB FAD 5.81395
367 3GD4 NAD 5.82278
368 2GV8 NDP 5.82278
369 4TXI FAD 5.82278
370 2GVC FAD 5.82278
371 1VQW FAD 5.82278
372 4JDR FAD 5.82278
373 5JCM ISD 5.82278
374 5JCM FAD 5.82278
375 5JCM NAD 5.82278
376 4NBT NAD 5.83333
377 1T26 NAI 5.90062
378 1T26 GBD 5.90062
379 4ZVV NAD 6.0241
380 4ZVV GN0 6.0241
381 3TWO NDP 6.03448
382 1A5Z NAD 6.07029
383 1X87 NAD 6.07029
384 1X7D ORN 6.07029
385 1X7D NAD 6.07029
386 2FR1 NDP 6.07029
387 4U7W NDP 6.07029
388 4R8L ASP 6.07029
389 2Q1W NAD 6.07029
390 3LAD FAD 6.07029
391 5DNC ASN 6.07029
392 2CUN 3PG 6.07595
393 4ZRN UPG 6.08974
394 4ZRN NAD 6.08974
395 5FFF NAP 6.22568
396 5AHO TLA 6.25
397 4RF2 NAP 6.25
398 5G4L NDP 6.29371
399 4AF5 CIT 6.31579
400 5YRL GLC GLC 6.33803
401 5YRM BGC GLC 6.33803
402 2GDZ NAD 6.36704
403 5OJL TXP 6.37584
404 2IZ1 ATR 6.38978
405 3V1Y NAD 6.38978
406 5GZ6 NDP 6.38978
407 1X14 NAD 6.38978
408 5GZ6 7C3 6.38978
409 4TSK NDP 6.38978
410 4OOE FOM 6.38978
411 4OOE NDP 6.38978
412 1TB4 PEJ 6.38978
413 5K6A NAP 6.38978
414 3JQA NAP 6.38978
415 2IID PHE 6.38978
416 2IID FAD 6.38978
417 2FZW NAD 6.38978
418 3JQG NAP 6.38978
419 4MOP 2H5 6.38978
420 3JQ7 NAP 6.38978
421 3JQF NAP 6.38978
422 1P31 EPU 6.38978
423 5JDC NAP 6.38978
424 2WD7 NAP 6.38978
425 1MO9 FAD 6.38978
426 1MO9 KPC 6.38978
427 3U4C NDP 6.40569
428 1C3V NDP 6.53061
429 1KYQ NAD 6.56934
430 2IXB NAD 6.58228
431 2IXB A2G 6.58228
432 5TTJ FAD 6.58228
433 5MQ6 NDP 6.58228
434 4G5H UD7 6.61157
435 4G5H NAP 6.61157
436 2BKA NDP 6.61157
437 4W6Z 8ID 6.62824
438 1LDM NAD 6.68693
439 1P0F NAP 6.70241
440 3OJO NAD 6.70927
441 2VHW NAI 6.70927
442 3WBF NAP 6.70927
443 5NUF NAD 6.70927
444 5NUE NAD 6.70927
445 2JHF NAD 6.70927
446 3WBF API 6.70927
447 5L4L NAP 6.70927
448 4J36 1HR 6.70927
449 4J36 FAD 6.70927
450 2F1K NAP 6.81004
451 1XG5 NAP 6.81004
452 3R51 MMA 6.875
453 4Y9D NAI 6.88525
454 4RQU NAD 6.93333
455 4FK7 P34 6.9869
456 1SOW NAD 7.0122
457 5LD5 NAD 7.02875
458 1UXG NAD 7.02875
459 1UXG FUM 7.02875
460 1E3I CXF 7.02875
461 1PZG A3D 7.02875
462 3NGL NAP 7.02875
463 4TQK NAG 7.02875
464 1WDK NAD 7.08861
465 1MWH GTG 7.08861
466 2P39 SCR 7.09677
467 1IY8 NAD 7.11611
468 2C29 NAP 7.12166
469 1QH9 LAC 7.32759
470 1PS9 NAP 7.34177
471 4BVA NDP 7.34824
472 6C4N NAP 7.34824
473 2RAB NAD 7.34824
474 4BVA T3 7.34824
475 6F9Q NAD 7.34824
476 4TQG NDP 7.43034
477 1Y8Q ATP 7.51445
478 3H8V ATP 7.53425
479 1V59 NAD 7.59494
480 1V59 FAD 7.59494
481 5A1T NAI 7.62463
482 5A1T OXM 7.62463
483 2HMT NAI 7.63889
484 2HK9 ATR 7.66773
485 1PJS NAD 7.66773
486 4D06 NAR 7.66773
487 2HK9 NAP 7.66773
488 4HXY NDP 7.66773
489 4UP3 NDP 7.66773
490 4D04 NAP 7.66773
491 4D04 FAD 7.66773
492 3B20 NAD 7.66962
493 5YRG BGC GLC 7.74648
494 5YRI GLC GLC 7.74648
495 5YRJ BGC GLC 7.74648
496 5YRF GLC GLC 7.74648
497 2A92 NAI 7.78816
498 2F5Z FAD 7.8125
499 5JY6 NAD 7.86517
500 5BSH PRO 7.94224
501 5Z20 NAI 7.98722
502 1DRV A3D 7.98722
503 6C4T NA7 7.98722
504 1HYE NAP 7.98722
505 3QJ4 FAD 7.98722
506 1VM6 NAD 7.98722
507 1I2B NAD 7.98722
508 1I2B USQ 7.98722
509 1I2B UPG 7.98722
510 3CTY FAD 7.98722
511 1KOL NAD 7.98722
512 1F8F NAD 8.08625
513 5AYV NAP 8.09062
514 5AYV KPL 8.09062
515 5MZI FYK 8.10127
516 5MZI FAD 8.10127
517 3LZW FAD 8.13253
518 3LZW NAP 8.13253
519 5YU3 NAD 8.13953
520 5YU3 PRO 8.13953
521 4NBW NAD 8.17121
522 5X68 FAD 8.18414
523 1M0S CIT 8.21918
524 1H5R G1P 8.30671
525 4JJF FE9 8.43023
526 4JJF N2I 8.43023
527 5A96 GTP 8.43373
528 4IN9 SER TRP PHE PRO 8.43373
529 5OFW 9TW 8.52018
530 4XDY NAI 8.57988
531 6C4M NAP 8.60759
532 4PIV NDP 8.60759
533 5MSO NAP 8.6262
534 4XFR CIT 8.6262
535 3UOY FAD 8.6262
536 3UOY NAP 8.6262
537 1FEC FAD 8.6262
538 5KKA 6V0 8.65385
539 2Q46 NAP 8.69565
540 2EV9 SKM 8.74525
541 2EV9 NAP 8.74525
542 1AE1 NAP 8.79121
543 1RP0 AHZ 8.80282
544 2AE2 PTO 8.84615
545 2AE2 NAP 8.84615
546 3HAD NAD 8.86076
547 4GUT FAD 8.87097
548 4GUS FAD 8.87097
549 5EES NAP 8.90688
550 4GKV NAD 8.92857
551 5OCM NAP 8.94569
552 1Q19 SSC 8.94569
553 5JWC FAD 8.94569
554 2GMH FAD 8.94569
555 2RH4 EMO 9.02527
556 5WKC F50 9.11392
557 5M67 NAD 9.11392
558 5M67 ADE 9.11392
559 5M67 3D1 9.11392
560 1H9A NAP 9.11392
561 3OA2 NAD 9.1195
562 4MP8 NAD 9.14454
563 4MP8 MLI 9.14454
564 5H4S RAM 9.15493
565 1O5I NAD 9.23695
566 3GFB NAD 9.26518
567 1VKO NAD 9.26518
568 1FDJ 13P 9.26518
569 3O03 NAP 9.27835
570 1LSS NAD 9.28571
571 1YKF NAP 9.375
572 5YEC ATP 9.41177
573 3SJ7 NDP 9.52381
574 5U5N NAD 9.58466
575 2YY7 NAD 9.58466
576 1SB8 UD2 9.58466
577 1SB8 NAD 9.58466
578 2PK3 A2R 9.65732
579 2PV7 NAD 9.73154
580 5N53 8NB 9.74359
581 2X6T NAP 9.80392
582 3CF6 SP1 9.87342
583 2AG8 NAP 9.88593
584 2DFV NAD 9.90415
585 5L95 AMP 10
586 4HSU FAD 10
587 2CFC NAD 10
588 1WP4 NDP 10.0346
589 2YVJ NAI 10.0917
590 5ZZ6 ADP 10.0962
591 5ZZ6 NAD 10.0962
592 1Z82 NDP 10.1493
593 5YAP NAI 10.2236
594 5YAP 8S0 10.2236
595 3LU1 NAD 10.2236
596 5W3K NDP 10.2236
597 5W3K 9TY 10.2236
598 4OSP NAP 10.2662
599 2CVZ NDP 10.3806
600 6DNT NAD 10.5431
601 5MB4 NAG 10.5431
602 1O94 ADP 10.6061
603 2Q0L NAP 10.6109
604 1SC6 NAD 10.8626
605 1RKX NAD 10.9244
606 4EMI NAD 11.1392
607 1WVG APR 11.1421
608 4QED NAP 11.2903
609 5HV7 RBL 11.3924
610 6GR0 F8W 11.4943
611 2VT3 ATP 11.5016
612 2BQP GLC 11.5385
613 1XXR MAN 11.8012
614 1MUU NAD 11.8211
615 1MV8 NAD 11.8211
616 5ZI2 NAD 11.8211
617 5ZI2 ADP 11.8211
618 1LVL NAD 11.8211
619 4XB2 NDP 11.9403
620 4XB2 HSE 11.9403
621 3B1J NAD 12
622 1CER NAD 12.1406
623 2YG3 FAD 12.1406
624 5Z75 NAD 12.1406
625 3L9W AMP 12.1406
626 2BRY FAD 12.1406
627 1NVM NAD 12.1739
628 3QV1 NAD 12.1951
629 5TOW ADN 12.4051
630 5TOW NAI 12.4051
631 1RJW ETF 12.4601
632 1UWK NAD 12.4601
633 1UWK URO 12.4601
634 1EQ2 NAP 12.4601
635 3GD8 GOL 12.5561
636 2DC1 NAD 12.7796
637 3VPH NAD 13.2258
638 3VPH OXM 13.2258
639 1LJ8 NAD 13.4177
640 1M2W NAD 13.4177
641 4NBU NAI 13.4185
642 4YSX FAD 13.4615
643 4OM8 NAD 13.738
644 3WV8 ATP 13.7615
645 4XQC 13D 14.1772
646 4XQC NAD 14.1772
647 3IHG FAD 14.1772
648 3F81 STT 14.2077
649 1J5P NAD 14.2292
650 3BAZ NAP 14.377
651 6MJ7 ARG 14.5455
652 6AA8 NAD 14.5695
653 4JK3 NAD 14.6718
654 5EIN NAP 14.8148
655 5U8U FAD 14.9367
656 4J4H NAI 15.0579
657 4J4H 1J1 15.0579
658 1LUA NAP 15.331
659 1C3X 8IG 15.4135
660 1JAY NAP 15.566
661 4YCA NDP 15.6463
662 4II2 ATP 15.6627
663 3Q9N COA 16.4557
664 1U7T NAD 16.4751
665 2RI1 GLP 17.2524
666 5XVH NAP 17.3203
667 4USI AKG 17.5325
668 6CEP NAD 17.9641
669 6CEP OXM 17.9641
670 2ZJ1 ARJ 18.2109
671 2ZJ1 NAD 18.2109
672 5YRV 5AD 19.708
673 1Q7B NAP 21.4058
674 4XZ3 COA 26.8371
675 4XYM COA 27.7955
676 3RNM FAD 29.3103
Pocket No.: 2; Query (leader) PDB : 5CAE; Ligand: COA; Similar sites found with APoc: 991
This union binding pocket(no: 2) in the query (biounit: 5cae.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2J0B UDP 1.78571
2 4REP FAD 1.81818
3 2IVD FAD 1.91693
4 4EDF UPG 1.91693
5 4R1S NAP 1.91693
6 1BXK NAD 1.97183
7 1YJQ NAP 1.9802
8 5EOW FAD 2.02532
9 4Z0H NAD 2.09581
10 4MO2 FDA 2.17391
11 4MO2 FAD 2.17391
12 1P77 ATR 2.20588
13 1EBF NAD 2.23464
14 1KEW NAD 2.23642
15 4NTC FAD 2.23642
16 2PZM NAD 2.23642
17 2PZM UDP 2.23642
18 1KEW TYD 2.23642
19 1N7G NDP 2.23642
20 1N7G GDR 2.23642
21 1KNR FAD 2.27848
22 5U5G NAP 2.37288
23 4CM9 NAP 2.43056
24 6GNA FAD 2.43056
25 4CMI NAP 2.43056
26 4CLO NAP 2.43056
27 4CLR NAP 2.43056
28 4CM4 NAP 2.43056
29 4CM8 NAP 2.43056
30 3JQ9 NAP 2.43056
31 3BMO NAP 2.43056
32 5JDI NAP 2.43056
33 5JCJ NAP 2.43056
34 3JQB NAP 2.43056
35 4CME NAP 2.43056
36 3BMQ NAP 2.43056
37 3BMN NAP 2.43056
38 3JQ8 NAP 2.43056
39 1B8U NAD 2.43161
40 1B8U OAA 2.43161
41 1SAY PYR 2.49307
42 3NJ4 NAD 2.53165
43 1DLJ NAI 2.53165
44 3NJ4 AFX 2.53165
45 1DLJ UGA 2.53165
46 1GQ2 NAP 2.53165
47 1DJN ADP 2.53165
48 5EB4 FAD 2.53165
49 4O0L NDP 2.54545
50 2O4C NAD 2.55591
51 1YS4 NAP 2.55591
52 3GGO NAI 2.55591
53 3GGO ENO 2.55591
54 1Q0H FOM 2.55591
55 1Q0H NDP 2.55591
56 5UR0 NAD 2.55591
57 1RSG FAD 2.55591
58 1YY5 FAD 2.55591
59 5DN9 NAD 2.55591
60 4JBI NDP 2.55591
61 2E5V FAD 2.55591
62 3X0V FAD 2.55591
63 1GAD NAD 2.55591
64 5J60 FAD 2.55591
65 5J7X FAD 2.55591
66 1F8G NAD 2.55591
67 1UP7 NAD 2.55591
68 1YB5 NAP 2.55591
69 1Z45 NAD 2.55591
70 4YNU FAD 2.55591
71 4YNU LGC 2.55591
72 1MXH DHF 2.55591
73 1MXH NAP 2.55591
74 3EF0 ALF 2.55591
75 1N5D NDP 2.55591
76 1WPQ NAD 2.5788
77 2CUL FAD 2.58621
78 2VZ0 NAP 2.61194
79 2VZ0 D64 2.61194
80 2D2I NAP 2.63158
81 1CF2 NAP 2.67062
82 1CDO NAD 2.6738
83 5YLF BGC 2.69461
84 1FK8 NAD 2.72374
85 2GZ3 NAP 2.73224
86 3B1F NAD 2.75862
87 1UY4 XYP XYP XYP XYP 2.75862
88 5VKT NAP 2.76243
89 5Y77 FAD 2.78481
90 1PN0 FAD 2.78481
91 1PN0 IPH 2.78481
92 2EWM NAD 2.81124
93 4D42 NAP 2.83688
94 4D42 W0I 2.83688
95 2G5C NAD 2.84698
96 1TDF NAP 2.8481
97 1TDF FAD 2.8481
98 4KQW NAP 2.85714
99 4L8V NAP 2.8754
100 4KP7 NAP 2.8754
101 4KP7 1UQ 2.8754
102 2Z3Y F2N 2.8754
103 6ER9 FAD 2.8754
104 6ER9 NAP 2.8754
105 5NMX NAP 2.8754
106 1GTE FAD 2.8754
107 4UZI IMD 2.8754
108 3NT6 FAD 2.8754
109 3NTD FAD 2.8754
110 5NMX FAD 2.8754
111 6EL3 NAP 2.8754
112 3KO8 NAD 2.88462
113 1DCP HBI 2.88462
114 1ZH8 NAP 2.94118
115 4JNA FAD 2.94118
116 1RM4 NDP 2.96736
117 3CMC NAD 2.99401
118 5N6C NAD 3
119 1J49 NAD 3.003
120 6BII NAP 3.003
121 5J5Z FAD 3.03797
122 3HB5 NAP 3.0581
123 1U1I NAD 3.06122
124 5Z21 NAI 3.07263
125 5F5N NAD 3.11419
126 6F3N ADN 3.19489
127 6F3N NAD 3.19489
128 1HKU NAD 3.19489
129 3FPZ AHZ 3.19489
130 3K7M FAD 3.19489
131 4M52 FAD 3.19489
132 2A8X FAD 3.19489
133 4M52 M52 3.19489
134 3CGD FAD 3.19489
135 3CGD COA 3.19489
136 3CGD NAD 3.19489
137 4EUE NAI 3.19489
138 5ZYN FAD 3.19489
139 5TC4 NAD 3.19489
140 6F3M NAD 3.19489
141 5FI3 NAP 3.19489
142 1EZ4 NAD 3.19489
143 4PLG NAI 3.19489
144 4PLG OXM 3.19489
145 3L4S NAD 3.19489
146 6EGU 43Y 3.19489
147 2GSD NAD 3.19489
148 3L4S 3PG 3.19489
149 2QRK AMP 3.19489
150 4HA6 FAD 3.19489
151 4C3Y FAD 3.19489
152 4YAG NAI 3.19489
153 1U3U NAD 3.20856
154 1U3U BNF 3.20856
155 1DIG NAP 3.26797
156 1DIG L37 3.26797
157 1HDR NAD 3.27869
158 2C7G FAD 3.29114
159 2C7G ODP 3.29114
160 4B63 ORN 3.29114
161 4B63 FAD 3.29114
162 4B63 NAP 3.29114
163 6F7L FAD 3.29114
164 3OZ2 FAD 3.29114
165 5JAQ NAI 3.29114
166 6A0S HSE 3.31325
167 6A0S NDP 3.31325
168 2DT5 NAD 3.31754
169 3F8D FAD 3.40557
170 1I36 NAP 3.40909
171 4RDH AMP 3.47222
172 4RDI ATP 3.47222
173 1OAA OAA 3.4749
174 1NVT NAP 3.48432
175 1RM0 D6P 3.51438
176 1RM0 NAI 3.51438
177 5G3U ITW 3.51438
178 2WPF WPF 3.51438
179 2WPF FAD 3.51438
180 5MIT NAP 3.51438
181 5MIT FAD 3.51438
182 5ZBC FAD 3.51438
183 1KEV NDP 3.51438
184 2NVK FAD 3.51438
185 6GAR FAD 3.51438
186 1ZEM NAD 3.51438
187 1K3T BRZ 3.51438
188 2NVK NAP 3.51438
189 3NKS FAD 3.51438
190 3RC1 NAP 3.51438
191 3RC1 TLO 3.51438
192 3WMX NAD 3.51438
193 3HDY FAD 3.51438
194 3HDY GDU 3.51438
195 3HDY FDA 3.51438
196 5TUK FAD 3.51438
197 5G3U FDA 3.51438
198 1GY8 NAD 3.52645
199 3OND ADN 3.5443
200 3OND NAD 3.5443
201 1GZ4 ATP 3.5443
202 2WET FAD 3.5443
203 3KB6 NAD 3.59281
204 2VYN NAD 3.59281
205 2EXX NAP 3.59477
206 1V6A TRE 3.61446
207 5X9D 80F 3.61842
208 4D79 ATP 3.62319
209 1JA9 NDP 3.64964
210 1RYI GOA 3.66492
211 1RYI FAD 3.66492
212 5NA1 FAD 3.67647
213 2BD0 NAP 3.68852
214 5T9E NAP 3.69004
215 1NYT NAP 3.69004
216 5T9F NAP 3.69004
217 5T9F TYR 3.69004
218 3RFV NAI 3.74532
219 1LTH NAD 3.76176
220 1LDN NAD 3.79747
221 1VJT NAD 3.79747
222 6H45 QEI 3.82653
223 1XCL SAH 3.82979
224 2CDC XYP 3.83387
225 2CDC XYS 3.83387
226 5UAV NDP 3.83387
227 5UAV TFB 3.83387
228 6BWL NAD 3.83387
229 3C1O NAP 3.83387
230 3AXB PRO 3.83387
231 3AXB FAD 3.83387
232 5EZ7 FAD 3.83387
233 1U8X NAD 3.83387
234 2YYY NAP 3.83387
235 2CDC NAP 3.83387
236 3AFN NAP 3.83387
237 4D7E FAD 3.83387
238 4B7X NAP 3.83387
239 5X20 NAD 3.84615
240 1NFQ NAI 3.84615
241 4GLL NAD 3.85757
242 1GUZ NAD 3.87097
243 3VZS NAP 3.89105
244 3VZS CAA 3.89105
245 2GLX NDP 3.91566
246 6GAS FAD 3.92749
247 4PLT NAI 3.92749
248 4PLT OXM 3.92749
249 2BGM NAJ 3.95683
250 3Q3C NAD 4.01338
251 1OC2 TDX 4.02299
252 1OC2 NAD 4.02299
253 3H9E NAD 4.04624
254 1BZL GCG 4.05063
255 1BZL FAD 4.05063
256 3UCL NAP 4.05063
257 3UCL FAD 4.05063
258 3UCL CYH 4.05063
259 5Y8L NAD 4.0678
260 5Y8L HUI 4.0678
261 4CJX NAP 4.07523
262 4NTD FAD 4.11765
263 1UDB NAD 4.14201
264 1UDB UFG 4.14201
265 1H5Q NAP 4.15094
266 1RYD NDP 4.15335
267 1H6C NDP 4.15335
268 1H6C SIN 4.15335
269 3SQP FAD 4.15335
270 1HDG NAD 4.15335
271 3QVP FAD 4.15335
272 3KLJ FAD 4.15335
273 1FL2 FAD 4.15335
274 1OBB NAD 4.15335
275 2AOT SAH 4.15335
276 4J1Q NDP 4.15335
277 2OOR NAD 4.16667
278 2D5A COA 4.16667
279 4J7U NAP 4.16667
280 4J7U YTZ 4.16667
281 1NM5