-->
Receptor
PDB id Resolution Class Description Source Keywords
1W6U 1.75 Å EC: 1.3.1.34 STRUCTURE OF HUMAN DECR TERNARY COMPLEX HOMO SAPIENS DIENOYL COA-REDUCTASE SHORT CHAIN DEHYDROGENASE BETA- OXIDATION NADP OXIDOREDUCTASE REDUCTASE
Ref.: STRUCTURE AND REACTIVITY OF HUMAN MITOCHONDRIAL 2,4-DIENOYL-COA REDUCTASE: ENZYME-LIGAND INTERACTIONS IN A DISTINCTIVE SHORT-CHAIN REDUCTASE ACTIVE SITE J.BIOL.CHEM. V. 280 3068 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HXC A:1330;
B:1331;
C:1330;
D:1329;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
865.677 C27 H46 N7 O17 P3 S CCCCC...
NAP A:1329;
B:1330;
C:1329;
D:1328;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W6U 1.75 Å EC: 1.3.1.34 STRUCTURE OF HUMAN DECR TERNARY COMPLEX HOMO SAPIENS DIENOYL COA-REDUCTASE SHORT CHAIN DEHYDROGENASE BETA- OXIDATION NADP OXIDOREDUCTASE REDUCTASE
Ref.: STRUCTURE AND REACTIVITY OF HUMAN MITOCHONDRIAL 2,4-DIENOYL-COA REDUCTASE: ENZYME-LIGAND INTERACTIONS IN A DISTINCTIVE SHORT-CHAIN REDUCTASE ACTIVE SITE J.BIOL.CHEM. V. 280 3068 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1W6U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1W6U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1W6U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HXC; Similar ligands found: 137
No: Ligand ECFP6 Tc MDL keys Tc
1 HXC 1 1
2 CO8 0.953125 1
3 MFK 0.945736 1
4 UCC 0.945736 1
5 MYA 0.945736 1
6 DCC 0.945736 1
7 5F9 0.945736 1
8 ST9 0.945736 1
9 BCO 0.898438 0.977528
10 GRA 0.878788 0.955556
11 1HE 0.869231 0.956044
12 1VU 0.868217 0.988764
13 SCA 0.856061 0.955556
14 YNC 0.855072 0.945055
15 3HC 0.854962 0.966292
16 IVC 0.854962 0.966292
17 CS8 0.846715 0.988889
18 MLC 0.840909 0.955556
19 HDC 0.84058 1
20 ACO 0.837209 0.988764
21 HGG 0.835821 0.955556
22 CAA 0.834586 0.966292
23 3KK 0.824427 0.977528
24 COS 0.821705 0.934066
25 CAO 0.821705 0.923913
26 OXK 0.818182 0.955556
27 FAQ 0.816176 0.955556
28 0T1 0.8125 0.955056
29 CO6 0.81203 0.977528
30 2MC 0.80597 0.935484
31 TGC 0.804348 0.945055
32 MC4 0.801471 0.925532
33 FYN 0.796992 0.955056
34 DCA 0.796875 0.955056
35 MRR 0.795775 1
36 MRS 0.795775 1
37 COO 0.794118 0.955556
38 MCA 0.794118 0.966667
39 SOP 0.791045 0.955556
40 COK 0.791045 0.934066
41 UOQ 0.788732 0.977778
42 NHM 0.788732 0.977778
43 NHW 0.788732 0.977778
44 0ET 0.787234 0.977778
45 CMC 0.785185 0.934066
46 8Z2 0.784722 0.988889
47 COA 0.784615 0.955056
48 BYC 0.782609 0.955556
49 IRC 0.782609 0.966292
50 1GZ 0.782609 0.945055
51 COW 0.782609 0.945055
52 30N 0.780303 0.876289
53 AMX 0.780303 0.94382
54 CAJ 0.779412 0.955556
55 BCA 0.776978 0.945055
56 CMX 0.774436 0.933333
57 A1S 0.773723 0.955556
58 2NE 0.77305 0.934783
59 3CP 0.769784 0.934066
60 COF 0.769784 0.913979
61 ETB 0.769231 0.922222
62 HAX 0.762963 0.913043
63 2CP 0.76259 0.945055
64 SCO 0.761194 0.933333
65 1CZ 0.760563 0.945055
66 2KQ 0.757143 0.977778
67 FCX 0.755556 0.903226
68 FAM 0.755556 0.913043
69 SCD 0.753623 0.933333
70 MCD 0.751825 0.955556
71 CA6 0.751825 0.887755
72 4CA 0.751773 0.923913
73 NMX 0.746377 0.865979
74 WCA 0.744828 0.934783
75 4KX 0.739726 0.924731
76 CCQ 0.736111 0.935484
77 CIC 0.736111 0.934066
78 4CO 0.731034 0.923913
79 0FQ 0.731034 0.934066
80 DAK 0.72973 0.924731
81 PLM COA 0.726027 0.966667
82 COA PLM 0.726027 0.966667
83 01A 0.726027 0.894737
84 HFQ 0.722973 0.913979
85 1CV 0.721088 0.955556
86 CA8 0.72028 0.868687
87 YE1 0.71831 0.923077
88 1HA 0.717105 0.934783
89 NHQ 0.715232 0.944444
90 UCA 0.71519 0.977778
91 S0N 0.712329 0.913043
92 01K 0.701299 0.955556
93 F8G 0.696774 0.93617
94 CA3 0.687898 0.934066
95 COT 0.685897 0.934066
96 7L1 0.685714 0.988764
97 CA5 0.666667 0.894737
98 CO7 0.659864 0.955556
99 93P 0.652439 0.923913
100 93M 0.642857 0.923913
101 COD 0.637681 0.94382
102 HMG 0.612903 0.923077
103 4BN 0.606742 0.93617
104 5TW 0.606742 0.93617
105 OXT 0.60452 0.93617
106 JBT 0.598901 0.916667
107 BSJ 0.566667 0.904255
108 ASP ASP ASP ILE CMC NH2 0.54023 0.913043
109 191 0.534591 0.887755
110 PAP 0.527559 0.775281
111 RFC 0.497076 0.956044
112 SFC 0.497076 0.956044
113 PPS 0.492424 0.721649
114 ACE SER ASP ALY THR NH2 COA 0.489474 0.913043
115 A3P 0.480315 0.764045
116 0WD 0.477124 0.755319
117 PTJ 0.4375 0.833333
118 1ZZ 0.4375 0.866667
119 OMR 0.431373 0.877778
120 PUA 0.425926 0.784946
121 3AM 0.421875 0.752809
122 PAJ 0.41958 0.844444
123 YLB 0.419355 0.888889
124 MDE 0.418848 0.978022
125 A22 0.415493 0.777778
126 S2N 0.412587 0.688889
127 YLP 0.409091 0.888889
128 A2D 0.409091 0.766667
129 3OD 0.408163 0.788889
130 ATR 0.405797 0.764045
131 AGS 0.405797 0.791209
132 SAP 0.405797 0.791209
133 NA7 0.40411 0.820225
134 LAQ 0.402597 0.806452
135 PSR 0.401515 0.674157
136 WAQ 0.401361 0.822222
137 ADP 0.4 0.786517
Ligand no: 2; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W6U; Ligand: NAP; Similar sites found with APoc: 797
This union binding pocket(no: 1) in the query (biounit: 1w6u.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 6ECU SAH 0.993378
2 6ECW SAH 0.993378
3 1UP7 NAD 0.993378
4 3WMX NAD 1.3245
5 2UYQ SAM 1.3245
6 1I2B UPG 1.3245
7 1I2B USQ 1.3245
8 1I2B NAD 1.3245
9 5W7M SAH 1.3245
10 1O6Z NAD 1.65563
11 5JAQ NAI 1.65563
12 1KOL NAD 1.65563
13 1CF2 NAP 1.65563
14 2CUL FAD 1.72414
15 2G5C NAD 1.77936
16 4GK9 MAN BMA MAN MAN MAN 1.79211
17 3A27 SAM 1.83824
18 2DT5 NAD 1.89573
19 4PVD NDP 1.98676
20 4G5H NAP 1.98676
21 4G5H UD7 1.98676
22 2C29 NAP 1.98676
23 5XVH NAP 1.98676
24 2C29 DQH 1.98676
25 3FSY SCA 1.98676
26 3AYI FAD 1.98676
27 3AYI HCI 1.98676
28 2XVF FAD 1.98676
29 5X68 FAD 1.98676
30 5UAO FAD 1.98676
31 1VKO NAD 1.98676
32 3WLE NAD 1.98676
33 5W7K SAH 1.98676
34 4D04 FAD 1.98676
35 4D04 NAP 1.98676
36 4X9M FAD 1.98676
37 4EDF UPG 1.98676
38 4DSG FAD 1.98676
39 4DSG UDP 1.98676
40 4R5M 4NO 1.98676
41 4R5M NAP 1.98676
42 4JDR FAD 1.98676
43 1TI7 NAP 1.98676
44 1GZ4 ATP 1.98676
45 1NPD NAD 2.08333
46 1NVT NAP 2.09059
47 1I9G SAM 2.14286
48 5BSH PRO 2.16606
49 3WV8 ATP 2.29358
50 1OC2 NAD 2.31788
51 1OC2 TDX 2.31788
52 4J36 1HR 2.31788
53 5NA1 FAD 2.31788
54 4J36 FAD 2.31788
55 5Y77 FAD 2.31788
56 5MZI FYK 2.31788
57 5MZI FAD 2.31788
58 2E5V FAD 2.31788
59 3QJ4 FAD 2.31788
60 2HUI GLV 2.31788
61 5GSN NAP 2.31788
62 5GSN FAD 2.31788
63 4YUW S4M 2.31788
64 4YUW 4JU 2.31788
65 5M67 3D1 2.31788
66 5M67 ADE 2.31788
67 5M67 NAD 2.31788
68 2GCG NDP 2.31788
69 1Z82 NDP 2.31788
70 1J49 NAD 2.31788
71 5GSN MMZ 2.31788
72 3VSE SAH 2.31788
73 1ZK7 FAD 2.31788
74 1FEC FAD 2.31788
75 1I9Z 2IP 2.31788
76 1RJD SAM 2.31788
77 2DM6 IMN 2.31788
78 2DM6 NAP 2.31788
79 3MB5 SAM 2.35294
80 4GKV NAD 2.38095
81 5OCM NAP 2.4055
82 1WP4 NDP 2.42215
83 2OBF SAH 2.42215
84 2OBF F83 2.42215
85 2CVZ NDP 2.42215
86 1H6C SIN 2.54042
87 1H6C NDP 2.54042
88 1TZD ADP 2.54545
89 5A89 FMN 2.5641
90 5A89 ADP 2.5641
91 1NYT NAP 2.58303
92 1ORR NAD 2.64901
93 1EQ2 NAP 2.64901
94 2X6T NAP 2.64901
95 1SB8 NAD 2.64901
96 2PZM UDP 2.64901
97 2PZM NAD 2.64901
98 1SB8 UD2 2.64901
99 3G5S FAD 2.64901
100 4ZCC FAD 2.64901
101 4ZCC NAI 2.64901
102 3CMC NAD 2.64901
103 1R37 NAD 2.64901
104 2WPF FAD 2.64901
105 2WPF WPF 2.64901
106 2QA1 FAD 2.64901
107 3NTA FAD 2.64901
108 3O9Z AKG 2.64901
109 3O9Z NAD 2.64901
110 5NUF NAD 2.64901
111 3NTD FAD 2.64901
112 5A04 NDP 2.64901
113 5A04 BGC 2.64901
114 1J5P NAD 2.64901
115 1GR0 NAD 2.64901
116 1HYE NAP 2.64901
117 4C3Y FAD 2.64901
118 5NUE NAD 2.64901
119 3RUV ANP 2.64901
120 1YQD NAP 2.64901
121 4C3Y ANB 2.64901
122 3NT6 FAD 2.64901
123 5OCQ CIT 2.80702
124 4E13 NAD 2.82686
125 5XLX SAH 2.83688
126 3BXO SAM 2.92887
127 5T9F TYR 2.95203
128 5T9F NAP 2.95203
129 5T9E NAP 2.95203
130 4GLL NAD 2.98013
131 5MSO NAP 2.98013
132 1GY8 NAD 2.98013
133 1H9A NAP 2.98013
134 4D3F NAP 2.98013
135 3WGT FAD 2.98013
136 3WGT QSC 2.98013
137 1WDK NAD 2.98013
138 4Z0H NAD 2.98013
139 4MDH NAD 2.98013
140 1PJS NAD 2.98013
141 6C4T NA7 2.98013
142 2ZJ1 NAD 2.98013
143 2ZJ1 ARJ 2.98013
144 5MDH NAD 2.98013
145 3V1Y NAD 2.98013
146 3LKZ SFG 2.98013
147 5MPT SAH 2.98013
148 2Z3Y F2N 2.98013
149 5J5Z FAD 2.98013
150 3H9E NAD 2.98013
151 3HDY FAD 2.98013
152 1YKJ FAD 2.98013
153 1YKJ PHB 2.98013
154 3HDY FDA 2.98013
155 3HDY GDU 2.98013
156 3SSO SAH 2.98013
157 5Z21 NAI 2.98013
158 4IV9 FAD 2.98013
159 4XB2 NDP 2.98507
160 4XB2 HSE 2.98507
161 2PV7 NAD 3.02013
162 3RGG AIR 3.14465
163 1PN0 IPH 3.15789
164 1PN0 FAD 3.15789
165 4MIG G3F 3.24074
166 3LU1 NAD 3.2967
167 1KEW TYD 3.31126
168 1KEW NAD 3.31126
169 3KO8 NAD 3.31126
170 4PIV NDP 3.31126
171 2EXX NAP 3.31126
172 2Q1S NAI 3.31126
173 1I8T FAD 3.31126
174 4L8V NAP 3.31126
175 3ICT FAD 3.31126
176 5YB7 ORN 3.31126
177 5YB7 FAD 3.31126
178 1V59 FAD 3.31126
179 2VVL FAD 3.31126
180 3ICS FAD 3.31126
181 3ICR FAD 3.31126
182 6FDF SAH 3.31126
183 3AXB FAD 3.31126
184 3AXB PRO 3.31126
185 5A1T NAI 3.31126
186 5G3U ITW 3.31126
187 3ICS ADP 3.31126
188 3T31 DCQ 3.31126
189 1YJQ NAP 3.31126
190 5A1T OXM 3.31126
191 4DPL NAP 3.31126
192 5G3U FDA 3.31126
193 4E5N NAD 3.31126
194 3OJO NAD 3.31126
195 1Y8Q ATP 3.31126
196 2JHP SAH 3.31126
197 5DNK SAH 3.31126
198 3L4S 3PG 3.31126
199 3L4S NAD 3.31126
200 4KIB SAH 3.31126
201 3T31 FAD 3.31126
202 5N6C NAD 3.33333
203 4HBM 0Y7 3.33333
204 2EV9 NAP 3.42205
205 2EV9 SKM 3.42205
206 1LTH NAD 3.44828
207 5F5N NAD 3.46021
208 4HXY NDP 3.64238
209 6DNT NAD 3.64238
210 5X9D 80F 3.64238
211 1A5Z NAD 3.64238
212 3CGB FAD 3.64238
213 3CGD FAD 3.64238
214 3CGD NAD 3.64238
215 3CGD COA 3.64238
216 2XVM SAH 3.64238
217 4MO2 FDA 3.64238
218 4MO2 FAD 3.64238
219 4FZV SAM 3.64238
220 2FZW NAD 3.64238
221 6AA8 NAD 3.64238
222 2VVM FAD 3.64238
223 1J0X NAD 3.64238
224 5A7Y SAH 3.64238
225 1RYD NDP 3.64238
226 1EBF NAD 3.64238
227 6F7L FAD 3.64238
228 4JLS 3ZE 3.64238
229 1P77 ATR 3.67647
230 1YY5 FAD 3.7037
231 4YMH SAH 3.75
232 1I36 NAP 3.78788
233 2DC1 NAD 3.81356
234 2PWY SAH 3.87597
235 2F7A BEZ 3.87931
236 1BXK NAD 3.97351
237 1N7G GDR 3.97351
238 4EUE NAI 3.97351
239 4LHD GLY 3.97351
240 1PL6 NAD 3.97351
241 1RSG FAD 3.97351
242 3A06 NDP 3.97351
243 1XHC FAD 3.97351
244 1U1I NAD 3.97351
245 5ZYN FAD 3.97351
246 1DSS NAD 3.97351
247 4MOP 2H5 3.97351
248 3TWO NDP 3.97351
249 3CTY FAD 3.97351
250 1LDN NAD 3.97351
251 1QH8 HCA 3.97351
252 1D4D FAD 3.97351
253 1PL6 572 3.97351
254 1SOW NAD 3.97351
255 1N7G NDP 3.97351
256 6AIN FAD 3.97351
257 3AB4 THR 3.97351
258 2JB2 FAD 3.97351
259 2JB2 PHE 3.97351
260 2RAB NAD 3.97351
261 5T2Y 753 4.0404
262 5G6U TRP 4.21456
263 1XCL SAH 4.25532
264 2F1K NAP 4.30108
265 4ZRN UPG 4.30464
266 4ZRN NAD 4.30464
267 4R1S NAP 4.30464
268 6EL3 NAP 4.30464
269 2Q1W NAD 4.30464
270 1UWK URO 4.30464
271 1UWK NAD 4.30464
272 2GZ3 NAP 4.30464
273 3VPH NAD 4.30464
274 1T26 GBD 4.30464
275 1T26 NAI 4.30464
276 2CDU FAD 4.30464
277 3VPH OXM 4.30464
278 4RQU NAD 4.30464
279 2GV8 FAD 4.30464
280 3KB6 NAD 4.30464
281 2CDU ADP 4.30464
282 2GVC FAD 4.30464
283 1VQW FAD 4.30464
284 3B1J NAD 4.30464
285 2A92 NAI 4.30464
286 4DMG SAM 4.30464
287 4RDH AMP 4.51389
288 6GAR FAD 4.58453
289 3W9F I3P 4.61538
290 5BJX NAD 4.63576
291 5BJX UDP 4.63576
292 2C5A GDC 4.63576
293 2C5A NAD 4.63576
294 1PZG A3D 4.63576
295 1X87 NAD 4.63576
296 1UDB UFG 4.63576
297 1UDB NAD 4.63576
298 3H5N ATP 4.63576
299 1BZL FAD 4.63576
300 1BZL GCG 4.63576
301 5CDH TLA 4.63576
302 4ARU TLA 4.63576
303 5GVR LMR 4.63576
304 1BW9 NAD 4.63576
305 4C4A SAH 4.63576
306 5CAE SIN 4.63576
307 5CAE COA 4.63576
308 1BXG NAD 4.63576
309 4N49 SAM 4.63576
310 1C1X NAD 4.63576
311 5JCM FAD 4.63576
312 5JCM ISD 4.63576
313 5JCM NAD 4.63576
314 1M2W NAD 4.63576
315 4D79 ATP 4.71014
316 3GGO NAI 4.77707
317 3GGO ENO 4.77707
318 5ZZ6 ADP 4.80769
319 5ZZ6 NAD 4.80769
320 3I6I NDP 4.96689
321 1EZ4 NAD 4.96689
322 4RPL FAD 4.96689
323 4RPL 3UC 4.96689
324 5AOV NAP 4.96689
325 5ZI2 NAD 4.96689
326 5XNC MTA 4.96689
327 5UR0 NAD 4.96689
328 5ZI2 ADP 4.96689
329 4TXI FAD 4.96689
330 2BRY FAD 4.96689
331 2NVK FAD 4.96689
332 2C7G FAD 4.96689
333 2C7G ODP 4.96689
334 5K0A FAD 4.96689
335 3NYC FAD 4.96689
336 3NYC IAR 4.96689
337 4UCI SAM 4.96689
338 3H8V ATP 5.13699
339 1EK6 NAI 5.29801
340 1EK6 UPG 5.29801
341 2V6G NAP 5.29801
342 1RPN NDP 5.29801
343 3ABI NAD 5.29801
344 5OJL TXP 5.29801
345 2VDV SAM 5.29801
346 1HYH NAD 5.29801
347 3GFB NAD 5.29801
348 1U3U NAD 5.29801
349 1U3U BNF 5.29801
350 6FP4 E1T 5.29801
351 5OC1 FAD 5.29801
352 6FP4 FAD 5.29801
353 5MW4 5JU 5.29801
354 5BVA FAD 5.29801
355 2GMH FAD 5.29801
356 2JL1 NAP 5.57491
357 2VT3 ATP 5.5814
358 1E3I CXF 5.58511
359 5K4W NAI 5.62914
360 5K4W THR 5.62914
361 5JY6 NAD 5.62914
362 4OPC FDA 5.62914
363 4OPC PGT 5.62914
364 1G55 SAH 5.62914
365 1V8B NAD 5.62914
366 2QRK AMP 5.62914
367 5JE8 NAD 5.62914
368 1A99 PUT 5.62914
369 3GF4 FAD 5.62914
370 5NMX FAD 5.62914
371 5NMX NAP 5.62914
372 4AZW SAM 5.62914
373 1GUZ NAD 5.80645
374 1D1T NAD 5.89812
375 4ZVV NAD 5.96026
376 4ZVV GN0 5.96026
377 2HJR APR 5.96026
378 4XQC NAD 5.96026
379 4XQC 13D 5.96026
380 5YEC ATP 5.96026
381 1LDM NAD 5.96026
382 3HAD NAD 5.96026
383 1DLJ NAI 5.96026
384 1DLJ UGA 5.96026
385 5E8J SAH 5.96026
386 2I3G NAP 5.96026
387 1YQZ FAD 5.96026
388 5JJR SAH 5.96026
389 5E9W SAH 5.96026
390 5ULP KB1 5.97015
391 5Z2F NAP 6.03774
392 1EJ0 SAM 6.11111
393 4J4H 1J1 6.17761
394 4J4H NAI 6.17761
395 4JK3 NAD 6.17761
396 1E7S NAP 6.29139
397 5ZEC NAP 6.29139
398 1V6A TRE 6.29139
399 1GV0 NAD 6.29139
400 5UAV NDP 6.29139
401 9LDT NAD 6.29139
402 9LDB NAD 6.29139
403 5H81 NAP 6.29139
404 1SAY PYR 6.29139
405 6ER9 FAD 6.29139
406 2GSD NAD 6.29139
407 6ER9 NAP 6.29139
408 3LCC SAH 6.29139
409 2GAG FAD 6.29139
410 2GAG FOA 6.29139
411 5UAV TFB 6.29139
412 3G2O SAM 6.35452
413 4YSX FAD 6.38298
414 2HK9 ATR 6.62252
415 6CEP NAD 6.62252
416 5JWC FAD 6.62252
417 6CEP OXM 6.62252
418 2OOR NAD 6.62252
419 4LWP SAH 6.62252
420 3UCL NAP 6.62252
421 3UCL FAD 6.62252
422 3UCL CYH 6.62252
423 2HK9 NAP 6.62252
424 1LVL NAD 6.62252
425 1F8G NAD 6.62252
426 4REP FAD 6.62252
427 3O7W SAM 6.80272
428 2P41 SAH 6.88525
429 1KYQ NAD 6.93431
430 5DF1 58X 6.95364
431 5DF1 NAP 6.95364
432 3BAZ NAP 6.95364
433 4RSL FAD 6.95364
434 4OM8 NAD 6.95364
435 3L9W AMP 6.95364
436 6GAS FAD 6.95364
437 1HDR NAD 6.96721
438 5U5G NAP 7.11864
439 4NEC SAH 7.19697
440 3B1F NAD 7.24138
441 1Y1P NMN AMP PO4 7.28477
442 5VN0 FAD 7.28477
443 2QZZ EMF 7.28477
444 2QZZ NAP 7.28477
445 1C0I BE2 7.28477
446 1C0I FAD 7.28477
447 5U8U FAD 7.28477
448 3C1O NAP 7.28477
449 2DFV NAD 7.28477
450 1SQF SAM 7.28477
451 2Q7V FAD 7.28477
452 5VN0 NAI 7.28477
453 5TOW NAI 7.28477
454 5TOW ADN 7.28477
455 3A4T SFG 7.29927
456 3RJ5 NAD 7.48031
457 5L95 AMP 7.5
458 3BP1 GUN 7.58621
459 2WA2 SAM 7.6087
460 3A4V PYR 7.61589
461 3A4V NAD 7.61589
462 4ZGS NAD 7.61589
463 3NJ4 AFX 7.61589
464 3NJ4 NAD 7.61589
465 3LAD FAD 7.61589
466 2ZXI FAD 7.61589
467 3CIF NAD 7.61589
468 2VTD LKM 7.61589
469 3CIF G3H 7.61589
470 3EVG SAH 7.63636
471 6A56 LAT 7.92683
472 5L4L NAP 7.94702
473 5L4L 7OX 7.94702
474 2DKH FAD 7.94702
475 2DKH 3HB 7.94702
476 3IHG FAD 8.2243
477 3MQ2 SAH 8.25688
478 1Z45 NAD 8.27815
479 4XYB NDP 8.27815
480 2JHF NAD 8.27815
481 2NAD NAD 8.27815
482 1CER NAD 8.27815
483 4YRY FAD 8.27815
484 1MV8 NAD 8.27815
485 4YRY NAD 8.27815
486 3QV1 NAD 8.27815
487 1MUU NAD 8.27815
488 2RIF AMP 8.51064
489 1P0F NAP 8.57909
490 3RFV NAI 8.60927
491 5XWV NDP 8.60927
492 3RFV 15L 8.60927
493 5XWV 8H6 8.60927
494 5TWB FAD 8.60927
495 5DN9 NAD 8.60927
496 2XVE FAD 8.60927
497 4OOE FOM 8.60927
498 4OOE NDP 8.60927
499 3UOY FAD 8.60927
500 3UOY NAP 8.60927
501 4B2D SER 8.60927
502 3GCZ SAM 8.86525
503 2GN4 UD1 8.9404
504 2GN4 NDP 8.9404
505 2YY7 NAD 8.9404
506 5Y1G NAD 8.9404
507 5Y1G AKB 8.9404
508 1B8U NAD 8.9404
509 1B8U OAA 8.9404
510 2VYN NAD 8.9404
511 1GAD NAD 8.9404
512 5KMS NAD 8.9404
513 3AB1 FAD 9.16667
514 1H2B NAJ 9.27152
515 1LLU NAD 9.27152
516 2Y6Q FAD 9.27152
517 2Y6Q I7T 9.27152
518 2IZ1 ATR 9.27152
519 4W6Z 8ID 9.27152
520 2CVQ NDP 9.48012
521 5KKA 6V0 9.60265
522 1H82 FAD 9.60265
523 1H82 GZZ 9.60265
524 3U7Q HCA 9.60265
525 5Z20 NAI 9.60265
526 5YU3 PRO 9.60265
527 5YU3 NAD 9.60265
528 5TVI O8N 9.78261
529 2BMB PMM 9.93377
530 1KQR MNA 10.0559
531 4U7W NDP 10.2649
532 1RM0 D6P 10.2649
533 1RM0 NAI 10.2649
534 2Q46 NAP 10.2767
535 3AD8 FAD 10.3448
536 3AD8 PYC 10.3448
537 3AD8 NAD 10.3448
538 4POO SAM 10.5
539 2PK3 A2R 10.596
540 2B5W NAP 10.596
541 1E6E FAD 10.9272
542 1E1M FAD 10.9272
543 1E1M NAP 10.9272
544 1VL0 NAI 10.9589
545 2P3I MNA 11.1801
546 5MLR GRQ 11.2583
547 5MLR NAP 11.2583
548 5IN4 6CK 11.2583
549 5IN4 GDP 11.2583
550 5IN4 NAP 11.2583
551 1SC6 NAD 11.2583
552 2B4R NAD 11.2583
553 1F8F NAD 11.2583
554 5Z75 NAD 11.315
555 5KOX RFP 11.5894
556 5KOX FAD 11.5894
557 5WP5 SAH 11.5894
558 5LD5 NAD 11.5894
559 1R6D DAU 11.9205
560 1R6D NAD 11.9205
561 6A0S HSE 12.2517
562 6A0S NDP 12.2517
563 2VHW NAI 12.5828
564 1NVM NAD 12.5828
565 5FII PHE 12.7451
566 5GT9 NAP 12.9139
567 5O98 NAP 13.5762
568 5L4S 6KX 13.5762
569 5L4S NAP 13.5762
570 3LZW FAD 13.5762
571 3LZW NAP 13.5762
572 1JNR FAD 13.5762
573 6BII NAP 13.9073
574 2PXX SAH 13.9535
575 1E5Q NDP 14.2384
576 2YRX AMP 14.2384
577 3OND NAD 14.2384
578 3OND ADN 14.2384
579 4K26 NDP 14.4928
580 4K26 SFF 14.4928
581 1N5D NDP 14.5833
582 5J60 FAD 14.9007
583 2DBZ NAP 14.9701
584 2FR1 NDP 15.2318
585 1OAA OAA 15.2318
586 3RNM FAD 15.5172
587 3O26 NDP 15.5629
588 1RKX NAD 15.5629
589 5L53 NAP 15.5629
590 2IXB A2G 15.5629
591 1LSS NAD 15.7143
592 1WVG APR 15.894
593 5O9F 9ON 15.894
594 5O9F NAD 15.894
595 3ORF NAD 15.9363
596 6BWL NAD 16.2252
597 5FA5 MTA 16.2252
598 4OHU 2TK 16.609
599 4OHU NAD 16.609
600 4J7U YTZ 16.6667
601 4J7U NAP 16.6667
602 2BKA NDP 16.9421
603 2HMT NAI 17.3611
604 5I7S E9P 17.3913
605 5I7S NAD 17.3913
606 1UXG FUM 17.5497
607 1UXG NAD 17.5497
608 2BOS GLA GAL GLC 17.6471
609 2BOS GLA GAL 17.6471
610 5OOH 9ZZ 17.9612
611 5OOH NAP 17.9612
612 1Z6Z NAP 18.0851
613 1FK8 NAD 18.2879
614 2NPX NAD 18.543
615 2NPX FAD 18.543
616 4M1U A2G MBG 18.5714
617 4IXW IXW 18.8976
618 3OJF NDP 19.4553
619 3OJF IMJ 19.4553
620 4PLG OXM 19.5364
621 4PLG NAI 19.5364
622 1WMA AB3 19.9275
623 1WMA NDP 19.9275
624 2DKN NAI 20
625 2F5Z FAD 20.3125
626 1D7O NAD 22.5589
627 1D7O TCL 22.5589
628 4PLT OXM 22.8477
629 4PLT NAI 22.8477
630 2CDC NAP 22.8477
631 2CDC XYP 22.8477
632 2CDC XYS 22.8477
633 3OIG NAD 22.9323
634 1GZ6 NAI 23.8411
635 3CH6 NAP 24.8252
636 3CH6 311 24.8252
637 4J1Q NDP 25.1656
638 1XSE NDP 25.7627
639 5EIN NAP 25.9259
640 1ZBQ NAD 26.1589
641 2AG5 NAD 26.8293
642 2BD0 NAP 27.0492
643 1A27 NAP 27.8146
644 3HB5 NAP 27.8146
645 4ITU NAI 27.881
646 4ITU 1HS 27.881
647 2GDZ NAD 28.1457
648 4O1M NAD 28.1457
649 1V35 NAI 28.1457
650 4YAC NAI 29.6296
651 4TQG NDP 30.1325
652 4YAG NAI 30.4498
653 1JA9 NDP 30.6569
654 4Y9D NAI 30.7947
655 1SNY NAP 31.7881
656 1XG5 NAP 31.8996
657 4OSP NAP 33.1126
658 5WQP NAP 34.188
659 5WQP NCA 34.188
660 4KWI 1TJ 34.4371
661 4KWI NAP 34.4371
662 3TN7 NJP 34.6304
663 4D42 NAP 34.7518
664 4D42 W0I 34.7518
665 1NNU NAD 35.3712
666 1NNU TCT 35.3712
667 1MXH DHF 35.4305
668 1MXH NAP 35.4305
669 5GWT SIN 35.6115
670 5GWT NAD 35.6115
671 3A28 NAD 35.7616
672 5O42 NAD 35.7664
673 5O42 BGC 35.7664
674 5O42 9JW 35.7664
675 5G4L NDP 36.014
676 1PR9 NAP 36.0927
677 3D3W NAP 36.0927
678 3H4V DVP 36.0927
679 3H4V NAP 36.0927
680 3RKR NAP 36.2595
681 3GEG NAD 36.4238
682 3VZS NAP 36.4238
683 3VZS CAA 36.4238
684 1BDB NAD 36.4621
685 3ZV6 NAD 37.0107
686 3ZV6 4HB 37.0107
687 3WXB NDP 37.0861
688 2PD4 NAD 37.0909
689 2PD4 DCN 37.0909
690 5B4T 3HR 37.4172
691 5B4T NAD 37.4172
692 3ICC NAP 37.4172
693 4NBW NAD 37.7483
694 1GEG NAD 37.8906
695 3U4C NDP 38.0795
696 5EJ2 NAD 38.4106
697 1E3W NAD 38.6973
698 2WYV NAD 38.7417
699 1E6W NAD 38.8462
700 4CM9 NAP 39.0728
701 4CLR NAP 39.0728
702 3JQ9 NAP 39.0728
703 3BMN NAP 39.0728
704 4CM4 NAP 39.0728
705 3JQA NAP 39.0728
706 3JQG NAP 39.0728
707 3JQ7 NAP 39.0728
708 4CLO NAP 39.0728
709 3JQB NAP 39.0728
710 3BMO NAP 39.0728
711 3JQ8 NAP 39.0728
712 3BMQ NAP 39.0728
713 2WD7 NAP 39.0728
714 5JDI NAP 39.0728
715 3JQF NAP 39.0728
716 5JDC NAP 39.0728
717 5JCJ NAP 39.0728
718 4CMI NAP 39.0728
719 4CM8 NAP 39.0728
720 5K6A NAP 39.0728
721 4CME NAP 39.0728
722 2RH4 EMO 39.0728
723 2VZ0 NAP 39.0728
724 2VZ0 D64 39.0728
725 5JDI 6JO 39.0728
726 4CM9 YGL 39.0728
727 2CFC NAD 39.2
728 2AE2 NAP 39.2308
729 2AE2 PTO 39.2308
730 1H5Q NAP 39.2453
731 2JAH NDP 39.2713
732 1EDO NAP 39.3443
733 5OVK NDP 39.404
734 4NBT NAD 39.404
735 5OVL NAP 39.404
736 2EWM NAD 39.404
737 1G0N PHH 39.576
738 1G0N NDP 39.576
739 1UZN NAP 39.6761
740 4FN4 NAD 39.7351
741 1U7T TDT 39.8467
742 1U7T NAD 39.8467
743 3SJ7 NDP 40.0794
744 2BGM NAJ 40.2878
745 5CG1 NAD BBN 40.7285
746 3QWI NAP 40.7407
747 3QWI CUE 40.7407
748 4Q9N NAI 40.9396
749 3V1U NAD 41.0596
750 4RF2 NAP 41.1765
751 5Z2L NDP 41.2245
752 2DTX BMA 41.2879
753 2WSB NAD 41.3386
754 1QG6 NAD 41.3793
755 1QG6 TCL 41.3793
756 3AFN NAP 41.4729
757 5WUW NAP 41.8118
758 6F9Q NAD 41.9118
759 5FEU NAP 42.268
760 1ZEM NAD 42.3664
761 2B4Q NAP 42.3913
762 3OID NDP 42.6357
763 3SJU NDP 42.6523
764 1AE1 NAP 42.8571
765 4O0L NDP 42.9091
766 2JAP NDP 42.915
767 4QED NAP 43.1452
768 5OJI NAP 43.4615
769 5OJI ISN 43.4615
770 2Q2V NAD 43.5294
771 1HDC CBO 43.7008
772 1XHL NDP 43.771
773 5T2U NAP 43.9516
774 1X1T NAD 44.2308
775 3AY6 NAI 44.2379
776 3AY6 BGC 44.2379
777 5YSS NAD 44.5312
778 3O03 NAP 44.6735
779 1O5I NAD 44.9799
780 5EPO NAP 45.0382
781 4CQM NAP 45.082
782 5THQ NDP 45.5882
783 1ZK4 NAP 45.8167
784 1ZK4 AC0 45.8167
785 1XKQ NDP 46.0714
786 1NFQ NAI 46.1538
787 2ZAT NAP 46.1538
788 1UAY ADN 46.281
789 4NBU NAI 46.4
790 6CI9 NAP 46.7181
791 1YXM ADE 47.0199
792 1GEE NAD 47.5096
793 1IY8 NAD 47.5655
794 5FFF NAP 47.8599
795 5FFF 5XC 47.8599
796 4URF NAD 48.3871
797 3NUG NAD 48.583
Pocket No.: 2; Query (leader) PDB : 1W6U; Ligand: NAP; Similar sites found with APoc: 122
This union binding pocket(no: 2) in the query (biounit: 1w6u.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1X7D ORN 1.65563
2 1X7D NAD 1.65563
3 5EOW FAD 1.65563
4 1ZQ9 SAM 1.75439
5 6EQS BV8 1.81818
6 1COY FAD 1.98676
7 2PT9 2MH 1.98676
8 2AOT SAH 2.05479
9 4XUC 43G 2.29358
10 4XUC SAM 2.29358
11 1U8X NAD 2.31788
12 5KOK SAH 2.31788
13 6ECT SAM 2.31788
14 1OMO NAD 2.31788
15 1FP1 SAH 2.31788
16 5ERG SAM 2.31788
17 5KOK S9T 2.31788
18 1QPR PHT 2.46479
19 4M52 FAD 2.64901
20 3ELW GP3 2.66667
21 3ELW SAM 2.66667
22 5JE0 AZ8 2.83401
23 5JE0 SAH 2.83401
24 1XK5 TPG 2.94118
25 1ZGA SAH 2.98013
26 3GMB FAD 2.98013
27 3FPF MTA 3.02013
28 3FPF TNA 3.02013
29 1V59 NAD 3.31126
30 4M73 SAH 3.31126
31 4M73 M72 3.31126
32 2YX1 SFG 3.31126
33 1CDO NAD 3.31126
34 4YDD MGD 3.31126
35 4YDD MD1 3.31126
36 4EA7 JB2 3.63636
37 4EA7 COA 3.63636
38 3OA2 NAD 3.64238
39 5TC4 NAD 3.64238
40 2GCE SFC 3.64238
41 2GCE RFC 3.64238
42 1FP2 SAH 3.64238
43 4KOA NDP 3.97351
44 4AT0 FAD 3.97351
45 1QO8 FAD 3.97351
46 4AP3 FAD 3.97351
47 4AP3 NAP 3.97351
48 2AQJ TRP 3.97351
49 2AQJ FAD 3.97351
50 1NAA ABL 3.97351
51 3G89 SAM 4.01606
52 3T7S SAM 4.10448
53 3WBF API 4.30464
54 3B20 NAD 4.30464
55 3WBF NAP 4.30464
56 2D2I NAP 4.30464
57 1DJL NAP 4.34783
58 1S7G APR 4.34783
59 5ME4 HP4 4.37956
60 1PNO NAP 4.44444
61 4RDI ATP 4.51389
62 4PNE SAH 4.63576
63 1VM6 NAD 4.82456
64 3EGI ADP 4.85437
65 6A3J SOE 4.96689
66 5O4J 9KH 4.96689
67 5O4J SAH 4.96689
68 5O4J PJL 4.96689
69 6A3J NAI 4.96689
70 3LQV ADE 5.21739
71 1Q0H NDP 5.29801
72 1Q0H FOM 5.29801
73 5BRT CH9 5.29801
74 5BRT FAD 5.29801
75 3GF4 UPG 5.62914
76 3LST SAH 5.62914
77 5CUQ NSC 5.99251
78 1GTE FAD 6.29139
79 5JCA FAD 6.29139
80 5JCA NDP 6.29139
81 4B63 FAD 6.29139
82 4B63 ORN 6.29139
83 4B63 NAP 6.29139
84 5MIT NAP 6.62252
85 5MIT FAD 6.62252
86 1NM5 NAP 6.62252
87 1NM5 NAD 6.62252
88 2OOR TXP 6.62252
89 2GU8 796 6.62252
90 1O97 AMP 6.62252
91 1O97 FAD 6.62252
92 4II2 ATP 6.62252
93 1R27 MGD 7.28477
94 1SZD APR 7.74411
95 1KYZ SAH 8.27815
96 5KMS FAD 8.9404
97 3WQQ NDP 8.9404
98 3WQQ IB3 8.9404
99 4M37 SAH 8.9404
100 4KP7 NAP 8.9404
101 4KP7 1UQ 8.9404
102 4XZ3 COA 9.13043
103 4XYM COA 9.13043
104 3FGZ BEF 9.375
105 6BQ6 TER 10.2649
106 3S5W FAD 10.2649
107 1D4O NAP 10.3261
108 3HVJ 705 10.4072
109 1HDG NAD 10.596
110 5WP4 SAH 10.596
111 3ZNN FAD 10.596
112 3ZNN 4WL 10.596
113 2B4R AES 11.2583
114 4U8P FDA 11.2583
115 4U8P UDP 11.2583
116 5BW4 SAM 11.5894
117 1G60 SAM 11.9231
118 3PT9 SAH 12.5828
119 4X60 3XV 16.2252
120 4X60 SFG 16.2252
121 4GQB 0XU 16.2252
122 4IF4 BEF 24.5192
Pocket No.: 3; Query (leader) PDB : 1W6U; Ligand: NAP; Similar sites found with APoc: 93
This union binding pocket(no: 3) in the query (biounit: 1w6u.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5YAP NAI 1.3245
2 5YAP 8S0 1.3245
3 4TM3 FAD 1.3544
4 1COY AND 1.98676
5 3KLJ FAD 1.98676
6 5EES NAP 2.02429
7 1HKU NAD 2.31788
8 4IDC NDP 2.31788
9 4IDC 1XX 2.31788
10 5FJN FAD 2.31788
11 5FJN BE2 2.31788
12 1TB4 PEJ 2.31788
13 5WGR FAD 2.31788
14 5KVS NAP 2.31788
15 2EG5 SAH 2.31788
16 2RGJ FAD 2.48756
17 1N1G BCP 2.64901
18 4USQ FAD 2.64901
19 4YKG NAD 2.64901
20 5HXI 5HN 2.98013
21 5HXI FAD 2.98013
22 2YVF FAD 2.98013
23 4BVA NDP 2.98507
24 3ICT ADP 3.31126
25 1MO9 KPC 3.31126
26 1MO9 FAD 3.31126
27 3E1T FAD 3.31126
28 5TTJ FAD 3.31126
29 4CNK FAD 3.31126
30 3Q9T FAY 3.31126
31 4YCA NDP 3.40136
32 1DJN ADP