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Receptor
PDB id Resolution Class Description Source Keywords
4QEC 1.9 Å NON-ENZYME: OTHER ELXO WITH NADP BOUND STAPHYLOCOCCUS EPIDERMIDIS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: SUBSTRATE SPECIFICITY OF THE LANTHIPEPTIDE PEPTIDAS AND THE OXIDOREDUCTASE ELXO. ACS CHEM.BIOL. V. 9 1718 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:301;
B:301;
B:303;
A:302;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
NAP B:302;
A:300;
Valid;
Valid;
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
4QED 1.85 Å NON-ENZYME: OTHER ELXO Y152F WITH NADPH BOUND STAPHYLOCOCCUS EPIDERMIDIS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: SUBSTRATE SPECIFICITY OF THE LANTHIPEPTIDE PEPTIDAS AND THE OXIDOREDUCTASE ELXO. ACS CHEM.BIOL. V. 9 1718 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4QED - 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 : 4QED; Ligand: NAP; Similar sites found with APoc: 435
This union binding pocket(no: 1) in the query (biounit: 4qed.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z28 BTN None
2 3CYI ATP None
3 3VPH NAD 0.806452
4 1LUA NAP 1.20968
5 5EIN NAP 1.20968
6 3WMX NAD 1.6129
7 2Q1W NAD 2.01613
8 6A0S HSE 2.01613
9 6A0S NDP 2.01613
10 5H81 NAP 2.01613
11 3T7S SAM 2.01613
12 5BW4 SAM 2.01613
13 1HYE NAP 2.01613
14 5W7M SAH 2.01613
15 1TZD ADP 2.01613
16 5N2I NAP 2.15517
17 1E7S NAP 2.41935
18 5X9D 80F 2.41935
19 1T26 NAI 2.41935
20 1T26 GBD 2.41935
21 6ECU SAH 2.41935
22 6ECW SAH 2.41935
23 5ULP KB1 2.41935
24 1X87 NAD 2.41935
25 1OA7 CBI 2.80374
26 1ORR NAD 2.82258
27 1UXG NAD 2.82258
28 1UXG FUM 2.82258
29 1NPD NAD 2.82258
30 5MPT SAH 2.82258
31 1U1I NAD 2.82258
32 1R37 NAD 2.82258
33 1CER NAD 2.82258
34 3CIF NAD 2.82258
35 5NUF NAD 2.82258
36 1LSS NAD 2.85714
37 5ZZ6 ADP 2.88462
38 5ZZ6 NAD 2.88462
39 3EGI ADP 2.91262
40 4DR9 BB2 3.125
41 4R5M NAP 3.19149
42 4R5M 4NO 3.19149
43 4R1S NAP 3.22581
44 3KCC CMP 3.22581
45 5L95 AMP 3.22581
46 1O6Z NAD 3.22581
47 2NAD NAD 3.22581
48 1GV0 NAD 3.22581
49 4GKV NAD 3.22581
50 1TI7 NAP 3.22581
51 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 3.22581
52 5JE8 NAD 3.22581
53 5A1T NAI 3.22581
54 2VUT NAD 3.22581
55 2BKA NDP 3.30579
56 1SB8 UD2 3.62903
57 1SB8 NAD 3.62903
58 2YY7 NAD 3.62903
59 3LU1 NAD 3.62903
60 5L4L NAP 3.62903
61 5L4L 7OX 3.62903
62 1V6A TRE 3.62903
63 4XB2 HSE 3.62903
64 4ZVV NAD 3.62903
65 6D6Y SAH 3.62903
66 9LDB NAD 3.62903
67 1YB5 NAP 3.62903
68 2GSD NAD 3.62903
69 9LDT NAD 3.62903
70 4XB2 NDP 3.62903
71 4ZVV GN0 3.62903
72 5E9W SAH 3.62903
73 3UOY FAD 3.62903
74 3UOY NAP 3.62903
75 5E8J SAH 3.62903
76 5CGE 51F 3.62903
77 5OOH 9ZZ 3.8835
78 5OOH NAP 3.8835
79 5K7U SAM 4
80 1VL0 NAI 4.03226
81 1R6D NAD 4.03226
82 1R6D DAU 4.03226
83 2GZ3 NAP 4.03226
84 4XYB NDP 4.03226
85 2GCG NDP 4.03226
86 5U5G NAP 4.03226
87 5Z21 NAI 4.03226
88 1PL6 NAD 4.03226
89 3G89 SAM 4.03226
90 4Z0H NAD 4.03226
91 2HMT NAI 4.16667
92 1H74 ILE 4.39189
93 1GY8 NAD 4.43548
94 3X0D SAH 4.43548
95 3B1F NAD 4.43548
96 1A5Z NAD 4.43548
97 5ZI2 NAD 4.43548
98 1LDM NAD 4.43548
99 1SC6 NAD 4.43548
100 4TQK NAG 4.43548
101 5ZI2 ADP 4.43548
102 1LLU NAD 4.43548
103 2I3G NAP 4.43548
104 4N49 SAM 4.43548
105 3V1Y NAD 4.43548
106 1V59 NAD 4.43548
107 5AYV NAP 4.43548
108 2DBZ NAP 4.49102
109 5ZEC NAP 4.83871
110 1N7G NDP 4.83871
111 1N7G GDR 4.83871
112 1BW9 NAD 4.83871
113 3ICS ADP 4.83871
114 6F5W KG1 4.83871
115 1PZG A3D 4.83871
116 2PWY SAH 4.83871
117 2F1K NAP 4.83871
118 1SOW NAD 4.83871
119 3BAZ NAP 4.83871
120 1HYH NAD 4.83871
121 4KOA NDP 4.83871
122 6FDF SAH 4.83871
123 3ICT ADP 4.83871
124 4DPL NAP 4.83871
125 4FGC PQ0 4.84848
126 4DYG MES 4.91803
127 2HJR APR 5.24194
128 2WA2 SAM 5.24194
129 1UWK URO 5.24194
130 1UWK NAD 5.24194
131 4D3F NAP 5.24194
132 5XNC MTA 5.24194
133 3GU3 SAH 5.24194
134 3H8V ATP 5.47945
135 2X6T NAP 5.64516
136 2Q1S NAI 5.64516
137 1EQ2 NAP 5.64516
138 4LWP SAH 5.64516
139 3FSY SCA 5.64516
140 1TB4 PEJ 5.64516
141 3KO8 NAD 6.04839
142 1XF1 CIT 6.04839
143 5JAQ NAI 6.04839
144 4LHD GLY 6.04839
145 6CEP NAD 6.04839
146 6CEP OXM 6.04839
147 3MB5 SAM 6.04839
148 5OCM NAP 6.04839
149 4XZ3 COA 6.08696
150 2BZ1 TAU 6.12245
151 6C4N NAP 6.23608
152 2OOR NAD 6.32184
153 5MSO NAP 6.45161
154 4TQG NDP 6.45161
155 5F5N NAD 6.45161
156 1WDK NAD 6.45161
157 5N6C NAD 6.45161
158 1GUZ NAD 6.45161
159 2VT3 ATP 6.51163
160 2C5A GDC 6.85484
161 2C5A NAD 6.85484
162 5Z75 NAD 6.85484
163 1Y1P NMN AMP PO4 6.85484
164 5ME4 HP4 6.85484
165 5T9F TYR 6.85484
166 5T9F NAP 6.85484
167 5T9E NAP 6.85484
168 2QZZ NAP 6.91824
169 2QZZ EMF 6.91824
170 2PZM UDP 7.25806
171 2PZM NAD 7.25806
172 6BII NAP 7.25806
173 1V35 NAI 7.66129
174 4PIV NDP 7.66129
175 1OFL ASG GCD 7.66129
176 2IZ1 ATR 7.66129
177 5GZ6 NDP 7.66129
178 1XX4 BAM 7.66129
179 2WK1 SAH 7.66129
180 4GQB 0XU 7.66129
181 1JAY NAP 8.01887
182 4C4A SAH 8.06452
183 4E13 NAD 8.06452
184 5XVH NAP 8.06452
185 3EW2 BTN 8.14815
186 5N53 8NB 8.20513
187 5IN4 6CK 8.46774
188 5IN4 GDP 8.46774
189 5IN4 NAP 8.46774
190 1WVG APR 8.46774
191 4FZV SAM 9.20502
192 1RKX NAD 9.27419
193 3A4T SFG 9.27419
194 4XJ7 ADN 9.27419
195 5JJR SAH 9.27419
196 5KKA 6V0 9.27419
197 2Q28 ADP 9.27419
198 4PLT NAI 9.66767
199 4PLT OXM 9.66767
200 2FR1 NDP 9.67078
201 3ABI NAD 9.67742
202 5UAV TFB 9.67742
203 3C1O NAP 9.67742
204 5UAV NDP 9.67742
205 5OJL TXP 9.67742
206 4EUE NAI 10.0806
207 4XQC NAD 10.0806
208 4XQC 13D 10.0806
209 1LTH NAD 10.0806
210 1EZ4 NAD 10.0806
211 4YMU ATP 10.4167
212 4YCA NDP 10.4839
213 1CF2 NAP 10.4839
214 3LKZ SFG 10.5919
215 3ULK NDP 10.8871
216 3GGO ENO 10.8871
217 3GGO NAI 10.8871
218 4GLL NAD 11.2903
219 1EBF NAD 11.2903
220 5CAE SIN 11.2903
221 5CAE COA 11.2903
222 1KYQ NAD 11.2903
223 3C0G 3AM 11.2903
224 5XWV 8H6 11.4919
225 5XWV NDP 11.4919
226 3RFV NAI 11.6935
227 3RFV 15L 11.6935
228 4WOE 3S5 11.6935
229 1WP4 NDP 11.6935
230 1MUU NAD 11.6935
231 1NYT NAP 11.6935
232 1MV8 NAD 11.6935
233 5YEC ATP 11.7647
234 1RPN NDP 12.0968
235 6AA8 NAD 12.0968
236 3GFB NAD 12.0968
237 6EL3 NAP 12.5
238 4M37 SAH 12.5
239 4M38 SAH 12.5
240 1E5Q NDP 12.5
241 6DNT NAD 12.9032
242 5MLR NAP 12.9032
243 5MLR GRQ 12.9032
244 2V6G NAP 12.9032
245 4ZGS NAD 12.9032
246 2C29 NAP 13.3065
247 2C29 DQH 13.3065
248 1EK6 NAI 13.7097
249 1EK6 UPG 13.7097
250 6C4T NA7 13.7097
251 5LD5 NAD 13.7097
252 1J5P NAD 13.834
253 3ZKN WZV 14.0271
254 4ZRN NAD 14.1129
255 4ZRN UPG 14.1129
256 1UDB NAD 14.1129
257 1UDB UFG 14.1129
258 1BXK NAD 14.1129
259 2JL1 NAP 14.1129
260 4PVD NDP 14.5161
261 5DF1 58X 14.5161
262 5DF1 NAP 14.5161
263 4PLG NAI 14.5161
264 4PLG OXM 14.5161
265 2DTJ THR 14.6067
266 1NVT NAP 14.6341
267 4B4U NAP 14.9194
268 1LDN NAD 15.3226
269 3I6I NDP 15.7258
270 2HK9 ATR 15.7258
271 2CDC XYP 15.7258
272 2CDC NAP 15.7258
273 2CDC XYS 15.7258
274 2HK9 NAP 15.7258
275 3EVG SAH 16.5323
276 3GFS FMN 16.6667
277 3A4V PYR 17.7419
278 3A4V NAD 17.7419
279 2PK3 A2R 19.7581
280 1KEW NAD 19.7581
281 1KEW TYD 19.7581
282 5L53 NAP 20.1613
283 2YVJ NAI 20.1835
284 2DKN NAI 20.9677
285 3GWN FAD 21.0526
286 5L4S NAP 21.371
287 5L4S 6KX 21.371
288 4J1Q NDP 21.7742
289 5A0U CHT 21.7742
290 3O26 NDP 22.1774
291 1OC2 NAD 22.1774
292 1OC2 TDX 22.1774
293 4G5H NAP 24.5968
294 4G5H UD7 24.5968
295 5GT9 NAP 25.8065
296 1P77 ATR 26.2097
297 2GN4 NDP 26.6129
298 2GN4 UD1 26.6129
299 5K4W THR 26.6129
300 5K4W NAI 26.6129
301 1N5D NDP 27.0161
302 6BWL NAD 27.0161
303 1Z45 NAD 27.0161
304 4YAC NAI 28.2258
305 5Y1G AKB 28.629
306 5Y1G NAD 28.629
307 4Y9D NAI 29.8387
308 5O98 NAP 31.0484
309 4J7U YTZ 31.25
310 4J7U NAP 31.25
311 1NNU NAD 31.6667
312 1NNU TCT 31.6667
313 1Z6Z NAP 31.9149
314 4Q9N NAI 32.2581
315 1D7O NAD 33.0645
316 1D7O TCL 33.0645
317 4O1M NAD 33.0645
318 5I7S E9P 33.4677
319 5I7S NAD 33.4677
320 4YAG NAI 34.2742
321 1XSE NDP 34.6774
322 1OAA OAA 34.6774
323 2WYV NAD 34.6774
324 3RKR NAP 34.6774
325 4ZU3 4SD 34.8018
326 3CH6 NAP 35.0806
327 3CH6 311 35.0806
328 5WQP NAP 35.4701
329 5WQP NCA 35.4701
330 4K26 NDP 35.4839
331 4K26 SFF 35.4839
332 1FK8 NAD 35.4839
333 4D42 NAP 35.4839
334 4D42 W0I 35.4839
335 1QG6 NAD 35.4839
336 1QG6 TCL 35.4839
337 5CG1 NAD BBN 35.4839
338 1GZ6 NAI 35.8871
339 2PD4 NAD 36.7273
340 2PD4 DCN 36.7273
341 1ZBQ NAD 37.0968
342 3OJF NDP 37.0968
343 3OJF IMJ 37.0968
344 1HDR NAD 37.2951
345 3RJ5 NAD 37.5
346 3ORF NAD 37.5
347 4OHU NAD 38.3064
348 4OHU 2TK 38.3064
349 3OIG NAD 38.3064
350 3TN7 NJP 38.7097
351 1SNY NAP 38.7097
352 2BD0 NAP 38.9344
353 1WMA NDP 39.1129
354 1WMA AB3 39.1129
355 3HB5 NAP 39.5161
356 4O0L NDP 39.6364
357 1U7T TDT 39.9194
358 1U7T NAD 39.9194
359 1XG5 NAP 40.3226
360 5EJ2 NAD 41.9355
361 1W8D NAP 42.3387
362 1W73 NAP 42.3387
363 3D3W NAP 43.0328
364 1W6U NAP 43.1452
365 5G4L NDP 43.1452
366 4KWI 1TJ 43.5484
367 4KWI NAP 43.5484
368 1H5Q NAP 44.1509
369 1A27 NAP 44.7581
370 2JAH NDP 45.3441
371 2RH4 EMO 45.5645
372 3AI3 SOL 45.5645
373 3NUG NAD 45.749
374 1O5I NAD 45.9677
375 2JAP NDP 46.1538
376 1E3W NAD 46.7742
377 4OSP NAP 46.7742
378 3ZV6 4HB 46.7742
379 3ZV6 NAD 46.7742
380 3O03 NAP 46.7742
381 1BDB NAD 46.7742
382 3H4V NAP 47.1774
383 3H4V DVP 47.1774
384 2Q2V NAD 47.5806
385 3AFN NAP 47.6744
386 1JA9 NDP 47.8102
387 1UAY ADN 47.9339
388 3VZS CAA 48.3871
389 3OID NDP 48.3871
390 1MXH DHF 48.3871
391 1MXH NAP 48.3871
392 3U4C NDP 48.3871
393 3VZS NAP 48.3871
394 5O42 BGC 48.5401
395 5O42 9JW 48.5401
396 5O42 NAD 48.5401
397 5K6A NAP 48.7903
398 2VZ0 D64 48.7903
399 2VZ0 NAP 48.7903
400 5JDC NAP 48.7903
401 5JCJ NAP 48.7903
402 4CLR NAP 48.7903
403 4CM9 NAP 48.7903
404 2WD7 NAP 48.7903
405 4CMI NAP 48.7903
406 3JQ9 NAP 48.7903
407 5JDI NAP 48.7903
408 3BMN NAP 48.7903
409 3BMO NAP 48.7903
410 4CM4 NAP 48.7903
411 4CM8 NAP 48.7903
412 3BMQ NAP 48.7903
413 3JQG NAP 48.7903
414 3JQA NAP 48.7903
415 3JQF NAP 48.7903
416 3JQ7 NAP 48.7903
417 4CLO NAP 48.7903
418 4CME NAP 48.7903
419 3JQB NAP 48.7903
420 3JQ8 NAP 48.7903
421 5JDI 6JO 48.7903
422 5JCJ 6JM 48.7903
423 5K6A 6QT 48.7903
424 4CME KTZ 48.7903
425 5FEU NAP 49.1936
426 2AE2 NAP 49.1936
427 2AE2 PTO 49.1936
428 5B4T 3HR 49.1936
429 5B4T NAD 49.1936
430 5Z2L NDP 49.3878
431 2WSB NAD 49.5968
432 5YSS NAD 49.5968
433 4FC7 COA 49.5968
434 4FC7 NAP 49.5968
435 3GEG NAD 49.7976
436 3V1U NAD 50
437 5GWT NAD 50
438 5GWT SIN 50
Pocket No.: 2; Query (leader) PDB : 4QED; Ligand: NAP; Similar sites found with APoc: 49
This union binding pocket(no: 2) in the query (biounit: 4qed.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1I9G SAM 0.806452
2 6BQK Z1E 1.36986
3 1YS4 NAP 1.6129
4 5O96 SAM 1.63265
5 1TE2 PGA 2.21239
6 3A06 NDP 2.41935
7 5KOK SAH 2.41935
8 5TWJ SAM 2.46914
9 1ZGS XMM 2.82258
10 2PV7 NAD 2.82258
11 1VI2 NAD 2.82258
12 3PLN U5P 2.82258
13 1J0X NAD 2.82258
14 3GM5 CIT 3.14465
15 2WPF WPF 3.22581
16 2WPF FAD 3.22581
17 4RL4 PPV 3.30189
18 5ZYN SIN 3.62903
19 1DRV A3D 3.62903
20 2P41 SAH 3.62903
21 5JGL SAM 3.62903
22 3F81 STT 3.82514
23 2NU8 COA 4.03226
24 3KIH GDL 4.12371
25 1ZQ9 SAM 4.43548
26 4FXQ G9L 4.83871
27 1ZL9 GSH 5.7971
28 1TL2 NDG 5.9322
29 2IVD ACJ 6.04839
30 3SHR CMP 6.04839
31 5LPG 71V 6.09756
32 1I7A PHE 6.30631
33 4CNG SAH 6.45161
34 4JAL SAH 6.58683
35 3KIF GDL 6.60377
36 2BMB PMM 6.85484
37 2CDU ADP 6.85484
38 3GVL SLB SIA 6.85484
39 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 6.95652
40 1XKW 188 7.25806
41 6GKV SAH 7.66129
42 3A76 SPD 7.95455
43 5WP5 SAH 8.46774
44 2GAG FOA 9.67742
45 5U5N NAD 11.2903
46 4ONQ SFG 12.0968
47 1VM6 NAD 12.2807
48 2G50 ALA 14.5161
49 4CM9 YGL 48.7903
Pocket No.: 3; Query (leader) PDB : 4QED; 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: 3) in the query (biounit: 4qed.bio3) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4QED; Ligand: NAP; Similar sites found with APoc: 2
This union binding pocket(no: 4) in the query (biounit: 4qed.bio3) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 1O8B ABF 5.02283
2 3EJ0 11X 5.10204
Pocket No.: 5; Query (leader) PDB : 4QED; Ligand: NAP; Similar sites found with APoc: 1
This union binding pocket(no: 5) in the query (biounit: 4qed.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 5IM3 DTP 21.371
Pocket No.: 6; Query (leader) PDB : 4QED; 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: 6) in the query (biounit: 4qed.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4QED; 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: 7) in the query (biounit: 4qed.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4QED; 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: 8) in the query (biounit: 4qed.bio2) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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