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Receptor
PDB id Resolution Class Description Source Keywords
5WUW 1.9 Å EC: 1.-.-.- SERRATIA MARCESCENS SHORT-CHAIN DEHYDROGENASE/REDUCTASE F98L MUTANT SERRATIA MARCESCENS SERRATIA MARCESCENS SHORT-CHAIN DEHYDROGENASE/REDUCTASE SMSF98Y/F202Y MUTANT OXIDOREDUCTASE
Ref.: STRUCTURE-GUIDED DESIGN OF SERRATIA MARCESCENS SHOR DEHYDROGENASE/REDUCTASE FOR STEREOSELECTIVE SYNTHES (R)-PHENYLEPHRINE. SCI REP V. 8 2316 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:301;
Valid;
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
5WUW 1.9 Å EC: 1.-.-.- SERRATIA MARCESCENS SHORT-CHAIN DEHYDROGENASE/REDUCTASE F98L MUTANT SERRATIA MARCESCENS SERRATIA MARCESCENS SHORT-CHAIN DEHYDROGENASE/REDUCTASE SMSF98Y/F202Y MUTANT OXIDOREDUCTASE
Ref.: STRUCTURE-GUIDED DESIGN OF SERRATIA MARCESCENS SHOR DEHYDROGENASE/REDUCTASE FOR STEREOSELECTIVE SYNTHES (R)-PHENYLEPHRINE. SCI REP V. 8 2316 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 5WUW - 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 280 families.
1 5WUW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (77)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3SJU - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 1X7H - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 1GEG - GLC C6 H12 O6 C([C@@H]1[....
13 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3AUU - BGC C6 H12 O6 C([C@@H]1[....
18 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
19 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
20 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
21 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
22 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
23 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
24 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
25 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 1IPF - TNE C8 H13 N O CN1[C@H]2C....
27 5OVK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
28 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
29 6CI9 - F3V C3 H7 N O CC(=O)CN
30 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 5O72 Ki = 23 nM 9MH C18 H14 F N3 O3 c1cc(cc2c1....
34 5HS6 - J3Z C18 H22 O2 C[C@]12CC[....
35 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
36 5O6O Ki = 58 nM 9MB C17 H11 F2 N O3 c1cc(c(c(c....
37 5ICM - GLC C6 H12 O6 C([C@@H]1[....
38 5O7C Ki = 9 nM 9N2 C17 H9 F N2 O2 c1cc(cc2c1....
39 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
42 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
45 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
46 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
47 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
51 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
52 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
54 5OJI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
55 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 5WUW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
59 6F9Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
63 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
64 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
67 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
68 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
69 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
70 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
71 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
72 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
73 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
74 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
75 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
76 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
77 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 5WUW; Ligand: NAP; Similar sites found with APoc: 609
This union binding pocket(no: 1) in the query (biounit: 5wuw.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 4TQG NDP None
2 2VDV SAM None
3 1DCP HBI None
4 5O2Z FLC None
5 2P3I MNA 1.24224
6 3H5N ATP 1.39373
7 6F97 FAD 1.39373
8 1JG3 ADN 1.70213
9 4GLL NAD 1.74216
10 3O7W SAM 1.74216
11 3H9E NAD 1.74216
12 1FP1 SAH 1.74216
13 1F8F NAD 1.74216
14 4TXI FAD 1.74216
15 5YSN 5AD 1.74216
16 2DFV NAD 1.74216
17 1ZQ9 SAM 1.75439
18 3A4T SFG 1.82482
19 3FUU ADN 1.84502
20 2PXX SAH 1.86047
21 1RKX NAD 2.09059
22 2EXX NAP 2.09059
23 1LTH NAD 2.09059
24 1T26 NAI 2.09059
25 1T26 GBD 2.09059
26 1UXG NAD 2.09059
27 1UXG FUM 2.09059
28 3OA2 NAD 2.09059
29 1ZK7 FAD 2.09059
30 9LDT NAD 2.09059
31 9LDB NAD 2.09059
32 3TKY SAH 2.09059
33 1H82 GZZ 2.09059
34 1H82 FAD 2.09059
35 2WPB ZZI 2.09059
36 1EZ4 NAD 2.09059
37 3VSS FRU 2.09059
38 1ZH8 NAP 2.09059
39 4JDR FAD 2.09059
40 4RUS NDG 2.10084
41 1PZG A3D 2.1148
42 1XX4 BAM 2.29885
43 5AVF TAU 2.33463
44 1B74 DGN 2.3622
45 1V6A TRE 2.43902
46 3B1F NAD 2.43902
47 1HYE NAP 2.43902
48 3OZ2 FAD 2.43902
49 3GFB NAD 2.43902
50 3X0D SAH 2.43902
51 2BRY FAD 2.43902
52 3CMC NAD 2.43902
53 6FDF SAH 2.43902
54 1RSG FAD 2.43902
55 5J5Z FAD 2.43902
56 2I7C AAT 2.43902
57 1YY5 FAD 2.43902
58 6AIN FAD 2.43902
59 1U1I NAD 2.43902
60 5GM1 SAH 2.43902
61 3F81 STT 2.73224
62 3MB5 SAM 2.7451
63 2Q46 NAP 2.78746
64 6DNT NAD 2.78746
65 1WVG APR 2.78746
66 1Y1P NMN AMP PO4 2.78746
67 5IN4 6CK 2.78746
68 5IN4 GDP 2.78746
69 5IN4 NAP 2.78746
70 4D79 ATP 2.78746
71 1Q0H NDP 2.78746
72 1Q0H FOM 2.78746
73 4LHD GLY 2.78746
74 3C1O NAP 2.78746
75 6CEP OXM 2.78746
76 6CEP NAD 2.78746
77 1KNR FAD 2.78746
78 5X20 NAD 2.78746
79 3L9W GSH 2.78746
80 5BVA FAD 2.78746
81 4ZCC FAD 2.78746
82 4ZCC NAI 2.78746
83 1LDN NAD 2.78746
84 5KOX RFP 2.78746
85 5DNK SAH 2.78746
86 3L9W AMP 2.78746
87 1FEC FAD 2.78746
88 3FPF TNA 2.78746
89 3FPF MTA 2.78746
90 2F1K NAP 2.86738
91 3O5X JZG 2.89855
92 3QX9 ATP 2.89855
93 1HYH NAD 2.91262
94 3BXO SAM 2.92887
95 5ULP KB1 2.98507
96 2XVM SAH 3.01508
97 2GN4 NDP 3.13589
98 2GN4 UD1 3.13589
99 4U7W NDP 3.13589
100 5MLR NAP 3.13589
101 5MLR GRQ 3.13589
102 5BJX NAD 3.13589
103 3H8V ATP 3.13589
104 5BJX UDP 3.13589
105 4D3F NAP 3.13589
106 1WP4 NDP 3.13589
107 1GUZ NAD 3.13589
108 5MDH NAD 3.13589
109 2A92 NAI 3.13589
110 5ERG SAM 3.13589
111 1QO8 FAD 3.13589
112 3GWZ SAH 3.13589
113 4RDH AMP 3.13589
114 3I6I NDP 3.13589
115 3E1T FAD 3.13589
116 1LJ8 NAD 3.13589
117 3GXO SAH 3.13589
118 2YYY NAP 3.13589
119 1M2W NAD 3.13589
120 4MDH NAD 3.13589
121 1UP7 NAD 3.13589
122 3NJ4 AFX 3.13589
123 6BQ6 TER 3.13589
124 4RDI ATP 3.13589
125 4A6D SAM 3.13589
126 3NJ4 NAD 3.13589
127 3LST SAH 3.16092
128 2G5C NAD 3.20285
129 3WV8 ATP 3.21101
130 5LV1 78T 3.21429
131 5ZZ6 ADP 3.36538
132 5ZZ6 NAD 3.36538
133 5Y1G NAD 3.48432
134 5Y1G AKB 3.48432
135 5E9W SAH 3.48432
136 5E8J SAH 3.48432
137 5OOH 9ZZ 3.48432
138 5OOH NAP 3.48432
139 1BW9 NAD 3.48432
140 1A5Z NAD 3.48432
141 1SB8 NAD 3.48432
142 1F8G NAD 3.48432
143 2C5A NAD 3.48432
144 2C5A GDC 3.48432
145 1SB8 UD2 3.48432
146 5THY SAH 3.48432
147 5H6S HDH 3.48432
148 3MAN BMA BMA MAN 3.48432
149 1YKJ PHB 3.48432
150 1YKJ FAD 3.48432
151 2I3G NAP 3.48432
152 4XQC 13D 3.48432
153 2JHP SAH 3.48432
154 4XQC NAD 3.48432
155 4AT0 FAD 3.48432
156 3VYW SAM 3.48432
157 5TUF TDC 3.48432
158 1LDM NAD 3.48432
159 4Y4V DAL 3.48432
160 1VJT NAD 3.48432
161 5TUF FAD 3.48432
162 3LKZ SFG 3.48432
163 2DT5 NAD 3.48432
164 4DMG SAM 3.48432
165 2PT9 2MH 3.48432
166 5MW4 5JU 3.48432
167 5FJN BE2 3.50877
168 5FJN FAD 3.50877
169 5FTW SAH 3.51562
170 3E3U NVC 3.5533
171 3G2O SAM 3.67893
172 1SC6 NAD 3.71287
173 4KAX 4IP 3.72671
174 5MSO NAP 3.83275
175 2OOR NAD 3.83275
176 1UWK NAD 3.83275
177 1UWK URO 3.83275
178 6GKV SAH 3.83275
179 4KOA NDP 3.83275
180 5YB7 ORN 3.83275
181 5YB7 FAD 3.83275
182 2JJQ SAH 3.83275
183 5ZYN FAD 3.83275
184 1YQZ FAD 3.83275
185 1X87 NAD 3.83275
186 3WQQ NDP 3.83275
187 3WQQ IB3 3.83275
188 5THZ SAH 3.83275
189 4KRG SAH 3.83275
190 4HA6 FAD 3.83275
191 4KP7 NAP 3.83275
192 4KP7 1UQ 3.83275
193 2PZM NAD 3.83275
194 2PZM UDP 3.83275
195 2VN9 GVD 3.83275
196 3GDN FAD 3.83275
197 3GDN HBX 3.83275
198 3GGO NAI 3.83275
199 1L7E NAI 3.83275
200 4JK3 NAD 3.861
201 1EJ0 SAM 3.88889
202 4UTW RFW 3.93013
203 1VBO MAN MAN MAN 4.02685
204 1Q11 TYE 4.03226
205 4EUE NAI 4.06699
206 1KEW NAD 4.18118
207 1KEW TYD 4.18118
208 2Q1W NAD 4.18118
209 1DSS NAD 4.18118
210 5XNC MTA 4.18118
211 5F8F SFG 4.18118
212 1NAA 6FA 4.18118
213 1NAA ABL 4.18118
214 1PL6 NAD 4.18118
215 3O9Z AKG 4.18118
216 1CF2 NAP 4.18118
217 3OJO NAD 4.18118
218 1O6Z NAD 4.18118
219 4C3Y FAD 4.18118
220 3O9Z NAD 4.18118
221 4DPL NAP 4.18118
222 4J36 FAD 4.18118
223 1I2B USQ 4.18118
224 1I2B NAD 4.18118
225 1I2B UPG 4.18118
226 6AA8 NAD 4.18118
227 5KVS NAP 4.18118
228 5NC1 NAG 4.21941
229 2DC1 NAD 4.23729
230 1LSS NAD 4.28571
231 4XZ3 COA 4.34783
232 4QTU SAM 4.44444
233 3P2E SAH 4.44444
234 3JQM GTP 4.4586
235 6BWL NAD 4.52962
236 1EQ2 NAP 4.52962
237 3FSY SCA 4.52962
238 5LD5 NAD 4.52962
239 2C29 NAP 4.52962
240 2C29 DQH 4.52962
241 5UR0 NAD 4.52962
242 1Q19 SSC 4.52962
243 2ZWA SAH 4.52962
244 5OKT 9XK 4.52962
245 2HQM FAD 4.52962
246 1PN0 FAD 4.52962
247 6ECU SAH 4.52962
248 3MCT SAH 4.52962
249 1PN0 IPH 4.52962
250 5BUK FAD 4.52962
251 5Y8L NAD 4.52962
252 5LVP ATP 4.52962
253 1NVM NAD 4.52962
254 5JCM ISD 4.52962
255 5JCM NAD 4.52962
256 5JCM FAD 4.52962
257 5W7B MYR 4.52962
258 3DXY SAM 4.58716
259 1TZD ADP 4.72727
260 2V9M CIT 4.74453
261 1BXK NAD 4.87805
262 4ZVV NAD 4.87805
263 4ZVV GN0 4.87805
264 5JGL SAM 4.87805
265 4YUW 4JU 4.87805
266 4YUW S4M 4.87805
267 5X68 FAD 4.87805
268 1LLU NAD 4.87805
269 5JCA FAD 4.92958
270 1RE0 GDP 4.97738
271 3LTW HLZ 5
272 1W6F ISZ 5.03597
273 5KOK SAH 5.03778
274 2DTJ THR 5.05618
275 2YY7 NAD 5.22648
276 5K4W NAI 5.22648
277 5K4W THR 5.22648
278 3ABI NAD 5.22648
279 1YS4 NAP 5.22648
280 1HDG NAD 5.22648
281 5WP5 SAH 5.22648
282 5W7R SAH 5.22648
283 1Q1R FAD 5.22648
284 2PV7 NAD 5.22648
285 1O0S NAI 5.22648
286 1WUU GLA 5.22648
287 2O07 MTA 5.22648
288 2O07 SPD 5.22648
289 5TQZ GLC 5.33333
290 6FS8 E4Z 5.36585
291 4OOE FOM 5.44554
292 4OOE NDP 5.44554
293 4PIV NDP 5.57491
294 1RPN NDP 5.57491
295 1V35 NAI 5.57491
296 1SQF SAM 5.57491
297 1X14 NAD 5.57491
298 5A1T NAI 5.57491
299 2E5V FAD 5.57491
300 1GET NAP 5.57491
301 1E5Q NDP 5.57491
302 1GET FAD 5.57491
303 4MOP 2H5 5.57491
304 5A1T OXM 5.57491
305 4B4U NAP 5.57491
306 4BQS K2Q 5.68182
307 5N5D SAM 5.75221
308 5ZW3 SAH 5.77778
309 4ZRN NAD 5.92335
310 4ZRN UPG 5.92335
311 1RJD SAM 5.92335
312 4R5M NAP 5.92335
313 1TI7 NAP 5.92335
314 2VUT NAD 5.92335
315 5MZI FYK 5.92335
316 6F8A HIS 5.92335
317 3EW2 BTN 5.92593
318 1I36 NAP 6.06061
319 3QV1 NAD 6.09756
320 1KYQ NAD 6.20438
321 3KO8 NAD 6.27178
322 3VSE SAH 6.27178
323 1GAD NAD 6.27178
324 4YNU FAD 6.27178
325 4YNU LGC 6.27178
326 5NUF NAD 6.27178
327 2VYN NAD 6.27178
328 1J0X NAD 6.27178
329 1RM0 D6P 6.27178
330 5NUE NAD 6.27178
331 1RM0 NAI 6.27178
332 3DUW SAH 6.27803
333 1XXA ARG 6.41026
334 4GKV NAD 6.54762
335 6EL3 NAP 6.62021
336 5DF1 NAP 6.62021
337 5DF1 58X 6.62021
338 2D2I NAP 6.62021
339 1ZGA SAH 6.62021
340 1GPE FAD 6.62021
341 3L4S NAD 6.62021
342 3B1J NAD 6.62021
343 3B20 NAD 6.62021
344 6C5B SAH 6.62021
345 3L4S 3PG 6.62021
346 1MUU NAD 6.62021
347 1MV8 NAD 6.62021
348 1NYT NAP 6.64207
349 1C3M MAN MAN 6.80272
350 2HK9 ATR 6.90909
351 4J1Q NDP 6.96864
352 1FP2 SAH 6.96864
353 3V1Y NAD 6.96864
354 4Z0H NAD 6.96864
355 1GTE FAD 6.96864
356 1GV0 NAD 7.09677
357 4FZV SAM 7.11297
358 4JLS 3ZE 7.23684
359 1KYZ SAH 7.31707
360 1MO9 FAD 7.31707
361 1FDJ 13P 7.31707
362 1MO9 KPC 7.31707
363 5XWV NDP 7.45968
364 5XWV 8H6 7.45968
365 5BW4 SAM 7.49064
366 3G89 SAM 7.63052
367 5ZEC NAP 7.66551
368 3QVP FAD 7.66551
369 1PJS NAD 7.66551
370 4DCM SAM 7.66551
371 2F5Z FAD 7.8125
372 6GAS FAD 7.85498
373 5MPT SAH 8.01394
374 2UYQ SAM 8.01394
375 1R6D NAD 8.01394
376 5BRT FAD 8.01394
377 5BRT CH9 8.01394
378 3QJ4 FAD 8.01394
379 1R6D DAU 8.01394
380 5XLX SAH 8.15603
381 1CER NAD 8.1571
382 2HMT NAI 8.33333
383 1N7G NDP 8.36237
384 1N7G GDR 8.36237
385 3A06 NDP 8.36237
386 2IZ1 ATR 8.36237
387 4C4A SAH 8.36237
388 1H9A NAP 8.36237
389 5FA5 MTA 8.36237
390 3A06 FOM 8.36237
391 6ECW SAH 8.36237
392 5UAV NDP 8.36237
393 5UAV TFB 8.36237
394 4GQB 0XU 8.36237
395 2VT3 ATP 8.37209
396 3T7S SAM 8.58209
397 2GZ3 NAP 8.7108
398 5ZI2 NAD 8.7108
399 1Q9I TEO 8.7108
400 1Q9I FAD 8.7108
401 5ZI2 ADP 8.7108
402 1JQ3 AAT 8.7108
403 4CIB 7UZ 8.7108
404 3VPB GLU 8.92857
405 2Q1S NAI 9.05923
406 5W7M SAH 9.05923
407 3JWH SAH 9.05923
408 4C1K PEP 9.05923
409 3VPH OXM 9.05923
410 1EBF NAD 9.05923
411 3VPH NAD 9.05923
412 1COY FAD 9.05923
413 5T9E NAP 9.22509
414 5YEC ATP 9.2437
415 1Y8Q ATP 9.40767
416 2FR1 NDP 9.46502
417 4NEC SAH 9.4697
418 5T9F TYR 9.5941
419 5T9F NAP 9.5941
420 1SOW NAD 9.7561
421 4CJN QNZ 9.7561
422 2CDU ADP 9.7561
423 1P31 EPU 10.1045
424 5BSH PRO 10.1083
425 1E6E FAD 10.1562
426 3KIF GDL 10.3774
427 1RM4 NDP 10.3858
428 4YMH SAH 10.4167
429 2XYQ SAH 10.6557
430 1S8G DAO 10.7438
431 3RFV NAI 10.8614
432 3RFV 15L 10.8614
433 5CAE COA 10.8626
434 5EIN NAP 11.1111
435 2DKH 3HB 11.1498
436 2DKH FAD 11.1498
437 4OBW SAM 11.284
438 1VM6 NAD 11.4035
439 1EK6 NAI 11.4983
440 1ORR NAD 11.4983
441 1EK6 UPG 11.4983
442 3CIF NAD 11.4983
443 1V59 FAD 11.4983
444 1V59 NAD 11.4983
445 4LWP SAH 11.4983
446 3CIF G3H 11.4983
447 3LU1 NAD 11.5385
448 3VPQ GSH 11.7647
449 3A27 SAM 11.7647
450 1E7S NAP 11.8467
451 5W7K SAH 11.8467
452 3SQP FAD 11.8467
453 3MQ2 SAH 11.9266
454 4YSX FAD 12.1795
455 1OC2 TDX 12.1951
456 1OC2 NAD 12.1951
457 5KKA 6V0 12.1951
458 5L95 AMP 12.5
459 5N2I NAP 12.5
460 1NE7 16G 12.5436
461 3CL7 HYN 12.5436
462 6D6Y SAH 12.892
463 5WP4 SAH 13.2404
464 4G5H NAP 13.2404
465 4G5H UD7 13.2404
466 1TL2 NDG 13.2404
467 4HXY NDP 13.5889
468 2B4R NAD 13.5889
469 2B4R AES 13.5889
470 1P77 ATR 13.6029
471 1N5D NDP 13.9373
472 5JAQ NAI 13.9373
473 5AHO TLA 13.9373
474 2C7G ODP 14.2857
475 2C7G FAD 14.2857
476 5JE8 NAD 14.5695
477 1GY8 NAD 15.331
478 4UCI SAM 15.331
479 3RNM FAD 15.5172
480 5L4S 6KX 15.6794
481 5L4S NAP 15.6794
482 3O26 NDP 16.0279
483 1WMA AB3 16.3043
484 1WMA NDP 16.3043
485 1BZL FAD 16.3763
486 2WPF WPF 16.3763
487 1BZL GCG 16.3763
488 3G5S FAD 16.3763
489 2WPF FAD 16.3763
490 2WA2 SAM 17.0732
491 5L53 NAP 17.77
492 3SSO SAH 17.77
493 1MFA GLA MMA ABE 18.3333
494 1LVL NAD 18.8153
495 1LVL FAD 18.8153
496 1HDR NAD 19.2623
497 4II2 ATP 19.2771
498 1FK8 NAD 19.4553
499 1YB5 NAP 19.5122
500 2X6T NAP 19.8606
501 2DKN NAI 20
502 4ZFL 4NK 20.9402
503 4PVD NDP 21.6028
504 2BKA NDP 21.9008
505 1Z45 NAD 21.9512
506 1UDB NAD 23.6934
507 1UDB UFG 23.6934
508 3RJ5 NAD 24.4094
509 2YVJ NAI 25.6881
510 1NNU NAD 26.6667
511 1NNU TCT 26.6667
512 3A4V PYR 27.1777
513 3A4V NAD 27.1777
514 3CH6 NAP 28.3217
515 3CH6 311 28.3217
516 4K26 NDP 28.9855
517 4K26 SFF 28.9855
518 4OHU 2TK 30.3136
519 4OHU NAD 30.3136
520 1A27 NAP 31.0105
521 1ZBQ NAD 31.0105
522 3HB5 NAP 31.0105
523 1GZ6 NAI 31.3589
524 2PD4 DCN 31.6364
525 2PD4 NAD 31.6364
526 4J7U NAP 33.3333
527 4J7U YTZ 33.3333
528 1XSE NDP 33.4495
529 1Z6Z NAP 34.7518
530 4D42 NAP 35.8156
531 4D42 W0I 35.8156
532 3ORF NAD 36.6534
533 1OAA OAA 36.6795
534 4Q9N NAI 38.676
535 3WXB NDP 38.7097
536 1W8D NAP 39.3728
537 1W73 NAP 39.3728
538 3OIG NAD 39.4737
539 5I7S NAD 39.4928
540 5I7S E9P 39.4928
541 3RKR NAP 39.6947
542 4O1M NAD 40.0697
543 1D7O NAD 40.4181
544 1D7O TCL 40.4181
545 3H4V DVP 40.625
546 3H4V NAP 40.625
547 3OJF NDP 40.856
548 3OJF IMJ 40.856
549 1YXM ADE 41.115
550 1QG6 NAD 41.3793
551 1QG6 TCL 41.3793
552 5O42 NAD 41.6058
553 5O42 BGC 41.6058
554 5O42 9JW 41.6058
555 2BD0 NAP 41.8033
556 1W6U NAP 41.8118
557 1XKQ NDP 42.1429
558 1H5Q NAP 42.2642
559 5EJ2 NAD 42.8571
560 1E3W NAD 42.9119
561 3ZV6 4HB 43.0605
562 3ZV6 NAD 43.0605
563 1U7T NAD 44.0613
564 1U7T TDT 44.0613
565 1O5I NAD 44.1767
566 3O03 NAP 44.2509
567 1ZEM NAD 44.2748
568 2WD7 NAP 44.403
569 2VZ0 NAP 44.403
570 2VZ0 D64 44.403
571 2WYV NAD 44.8276
572 3AI3 SOL 44.8669
573 3V1U NAD 45.6446
574 4CLO NAP 45.6446
575 3JQ8 NAP 45.6446
576 4CM9 NAP 45.6446
577 3JQ9 NAP 45.6446
578 4CME NAP 45.6446
579 3BMN NAP 45.6446
580 3JQA NAP 45.6446
581 4CLR NAP 45.6446
582 4CMI NAP 45.6446
583 3JQ7 NAP 45.6446
584 3BMO NAP 45.6446
585 4CM4 NAP 45.6446
586 4CM8 NAP 45.6446
587 3JQG NAP 45.6446
588 3JQF NAP 45.6446
589 3BMQ NAP 45.6446
590 3JQB NAP 45.6446
591 4CME KTZ 45.6446
592 4CM9 YGL 45.6446
593 1G0N NDP 45.9364
594 1G0N PHH 45.9364
595 1XHL NDP 45.993
596 4FC7 NAP 46.2094
597 4FC7 COA 46.2094
598 1ZK4 AC0 46.6135
599 1ZK4 NAP 46.6135
600 3OID NDP 47.2868
601 3AFN NAP 48.062
602 5B4T 3HR 48.0769
603 5B4T NAD 48.0769
604 1VL8 NAP 48.3146
605 3D3W NAP 48.7705
606 2DTX BMA 48.8636
607 2RH4 EMO 49.0975
608 2CFC NAD 49.2
609 2Q2V NAD 49.8039
Pocket No.: 2; Query (leader) PDB : 5WUW; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5wuw.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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