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Receptor
PDB id Resolution Class Description Source Keywords
4J7U 2.44 Å EC: 1.1.1.153 CRYSTAL STRUCTURE OF HUMAN SEPIAPTERIN REDUCTASE IN COMPLEX SULFATHIAZOLE HOMO SAPIENS REDUCTASE OXIDOREDUCTASE-ANTIBIOTIC COMPLEX
Ref.: TETRAHYDROBIOPTERIN BIOSYNTHESIS AS AN OFF-TARGET O DRUGS. SCIENCE V. 340 987 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:806;
B:805;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 D:803;
B:803;
C:804;
A:804;
A:803;
C:803;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
NAP A:801;
C:801;
B:801;
D:801;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
PEG C:805;
A:805;
B:804;
A:806;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
YTZ A:802;
B:802;
C:802;
D:802;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 14 nM
255.317 C9 H9 N3 O2 S2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J7U 2.44 Å EC: 1.1.1.153 CRYSTAL STRUCTURE OF HUMAN SEPIAPTERIN REDUCTASE IN COMPLEX SULFATHIAZOLE HOMO SAPIENS REDUCTASE OXIDOREDUCTASE-ANTIBIOTIC COMPLEX
Ref.: TETRAHYDROBIOPTERIN BIOSYNTHESIS AS AN OFF-TARGET O DRUGS. SCIENCE V. 340 987 2013
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4HWK ic50 = 82 nM SFY C11 H11 N3 O2 S c1ccnc(c1)....
2 4Z3K ic50 = 0.15 uM 4KL C10 H7 N O4 c1cc2c(cc(....
3 4XWY ic50 = 54 nM 43O C14 H18 N2 O3 Cc1c(c2cc(....
4 4J7U Ki = 14 nM YTZ C9 H9 N3 O2 S2 c1cc(ccc1N....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1SEP - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1NAS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1OAA - OAA C4 H3 O5 C(C(=O)C(=....
4 4HWK ic50 = 82 nM SFY C11 H11 N3 O2 S c1ccnc(c1)....
5 4Z3K ic50 = 0.15 uM 4KL C10 H7 N O4 c1cc2c(cc(....
6 4XWY ic50 = 54 nM 43O C14 H18 N2 O3 Cc1c(c2cc(....
7 4J7U Ki = 14 nM YTZ C9 H9 N3 O2 S2 c1cc(ccc1N....
8 1Z6Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1SEP - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1NAS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1OAA - OAA C4 H3 O5 C(C(=O)C(=....
4 4HWK ic50 = 82 nM SFY C11 H11 N3 O2 S c1ccnc(c1)....
5 4Z3K ic50 = 0.15 uM 4KL C10 H7 N O4 c1cc2c(cc(....
6 4XWY ic50 = 54 nM 43O C14 H18 N2 O3 Cc1c(c2cc(....
7 4J7U Ki = 14 nM YTZ C9 H9 N3 O2 S2 c1cc(ccc1N....
8 1Z6Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
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
Ligand no: 2; Ligand: YTZ; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 YTZ 1 1
2 SFY 0.444444 0.851852
3 XTZ 0.417722 0.6375
4 LS4 0.413333 0.746269
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4J7U; Ligand: YTZ; Similar sites found with APoc: 723
This union binding pocket(no: 1) in the query (biounit: 4j7u.bio1) has 43 residues
No: Leader PDB Ligand Sequence Similarity
1 5C2N NAG None
2 1FK8 NAD 0.694444
3 1E7S NAP 1.04167
4 2HJR APR 1.04167
5 4Z0H NAD 1.04167
6 5OCQ CIT 1.05263
7 2A92 NAI 1.24611
8 2ZIF SAM 1.38889
9 1GY8 NAD 1.73611
10 4PVD NDP 1.73611
11 2Q1W NAD 1.73611
12 1X87 NAD 1.73611
13 3SSO SAH 1.73611
14 1J0X NAD 1.73611
15 3V1Y NAD 1.73611
16 3B20 NAD 1.73611
17 1A99 PUT 1.73611
18 3B1J NAD 1.73611
19 3Q3C NAD 1.73611
20 4EYG VNL 1.73611
21 3WLE NAD 1.73611
22 3MCT SAH 1.73611
23 4K7O EKZ 1.78571
24 3EVF GTA 1.80505
25 2XVM SAH 2.01005
26 4KGM ATP 2.04082
27 2FR1 NDP 2.05761
28 1RKX NAD 2.08333
29 1GUZ NAD 2.08333
30 1WVG APR 2.08333
31 1LDN NAD 2.08333
32 5OJL TXP 2.08333
33 1PJS NAD 2.08333
34 2X7I CIT 2.08333
35 4OOE FOM 2.08333
36 4OOE NDP 2.08333
37 4PLT NAI 2.08333
38 2O4C NAD 2.08333
39 2PUZ NIG 2.08333
40 4PLT OXM 2.08333
41 6FDF SAH 2.08333
42 1LC3 NAD 2.08333
43 1VKO NAD 2.08333
44 3GGO ENO 2.08333
45 3GGO NAI 2.08333
46 1G55 SAH 2.08333
47 4CJX NAP 2.08333
48 1B8U NAD 2.12766
49 1B8U OAA 2.12766
50 2G5C NAD 2.13523
51 5ME4 HP4 2.18978
52 3A27 SAM 2.20588
53 5W7M SAH 2.24359
54 3WV8 ATP 2.29358
55 2VT3 ATP 2.32558
56 3MB5 SAM 2.35294
57 3ORF NAD 2.39044
58 6EL3 NAP 2.43056
59 1V59 NAD 2.43056
60 1UDB NAD 2.43056
61 1UDB UFG 2.43056
62 1GV0 NAD 2.43056
63 2VUT NAD 2.43056
64 1TI7 NAP 2.43056
65 4ZNO SUC 2.43056
66 5DN9 NAD 2.43056
67 1DNP MHF 2.43056
68 5FA5 MTA 2.43056
69 5XNC MTA 2.43056
70 1GZ4 ATP 2.43056
71 4KIB SAH 2.43056
72 1HYH NAD 2.43056
73 5U5N NAD 2.43056
74 2EXX NAP 2.43056
75 4OM8 NAD 2.43056
76 3G2O SAM 2.43056
77 4PLG NAI 2.43056
78 4PLG OXM 2.43056
79 1HDG NAD 2.43056
80 3CIF G3H 2.43056
81 1Y8Q ATP 2.43056
82 3CIF NAD 2.43056
83 4DYG MES 2.45902
84 2F1K NAP 2.50896
85 1DRV A3D 2.5641
86 4JK3 NAD 2.7027
87 5URY PAM 2.73973
88 5CG1 NAD BBN 2.77778
89 4ZRN UPG 2.77778
90 4ZRN NAD 2.77778
91 2C5A NAD 2.77778
92 2C5A GDC 2.77778
93 2I3G NAP 2.77778
94 1YS4 NAP 2.77778
95 4ZGS NAD 2.77778
96 4D3F NAP 2.77778
97 2PZM NAD 2.77778
98 2PZM UDP 2.77778
99 4DPL NAP 2.77778
100 4E5N NAD 2.77778
101 4RDH AMP 2.77778
102 4XQC NAD 2.77778
103 1U1I NAD 2.77778
104 1SOW NAD 2.77778
105 4D79 ATP 2.77778
106 2GZ3 NAP 2.77778
107 3H5N ATP 2.77778
108 4DMG SAM 2.77778
109 4XQC 13D 2.77778
110 1RM4 NDP 2.77778
111 4RDI ATP 2.77778
112 1NVT NAP 2.77778
113 2JJQ SAH 2.77778
114 2B4R AES 2.77778
115 1O0S NAI 2.77778
116 5A7Y SAH 2.77778
117 1ZH8 NAP 2.77778
118 2B4R NAD 2.77778
119 3KIF GDL 2.83019
120 2ZSC BTN 2.83688
121 2VDV SAM 2.84553
122 1ORR NAD 2.88184
123 3GDH SAH 2.90456
124 3EGI ADP 2.91262
125 3BEO UDP 2.93333
126 1P77 ATR 2.94118
127 1NYT NAP 2.95203
128 5BW4 SAM 2.99625
129 1QG6 NAD 3.06513
130 1QG6 TCL 3.06513
131 6DNT NAD 3.125
132 5Y1G AKB 3.125
133 5OOH 9ZZ 3.125
134 5OOH NAP 3.125
135 5Y1G NAD 3.125
136 3B1F NAD 3.125
137 5H81 NAP 3.125
138 2GCG NDP 3.125
139 4WBD CIT 3.125
140 2YP9 SIA CMO 3.125
141 3ICS ADP 3.125
142 4XYB NDP 3.125
143 5N6C NAD 3.125
144 3VSE SAH 3.125
145 4LWP SAH 3.125
146 3ICT ADP 3.125
147 4TQ3 GPP 3.125
148 5BN3 ADP 3.125
149 5EPA AKG 3.22581
150 5BSH PRO 3.2491
151 2WA2 SAM 3.26087
152 5O96 SAM 3.26531
153 3I6B KDO 3.33333
154 5Z49 RUB 3.34728
155 2DC1 NAD 3.38983
156 3CBG SAH 3.44828
157 1G60 SAM 3.46154
158 2V6G NAP 3.47222
159 4EUE NAI 3.47222
160 1V6A TRE 3.47222
161 5MLR GRQ 3.47222
162 5MLR NAP 3.47222
163 1OC2 TDX 3.47222
164 1OC2 NAD 3.47222
165 5IN4 6CK 3.47222
166 5IN4 GDP 3.47222
167 5IN4 NAP 3.47222
168 2CDU ADP 3.47222
169 5KOD IAC 3.47222
170 3FSY SCA 3.47222
171 2NW9 FT6 3.47222
172 1HKU NAD 3.47222
173 4CCK OGA 3.47222
174 2NAD NAD 3.47222
175 2J6U DGT 3.47222
176 1X7D NAD 3.47222
177 4JBI NDP 3.47222
178 1FP2 SAH 3.47222
179 1R18 SAH 3.52423
180 4GLL NAD 3.56083
181 1C3V NDP 3.67347
182 3FUU ADN 3.69004
183 2DT5 NAD 3.79147
184 4OB6 S2T 3.81944
185 2UYQ SAM 3.81944
186 3O7W SAM 3.81944
187 5MDH NAD 3.81944
188 6CEP NAD 3.81944
189 6CEP OXM 3.81944
190 3GFB NAD 3.81944
191 1I2B NAD 3.81944
192 1I2B UPG 3.81944
193 1I2B USQ 3.81944
194 4R5M NAP 3.81944
195 4MDH NAD 3.81944
196 3VPH NAD 3.81944
197 4GKV NAD 3.81944
198 1CER NAD 3.81944
199 1GQ2 NAP 3.81944
200 3I6I NDP 3.81944
201 2GSD NAD 3.81944
202 3VPH OXM 3.81944
203 4YMH SAH 3.81944
204 4R5M 4NO 3.81944
205 5X20 NAD 3.81944
206 1GR0 NAD 3.81944
207 1OPK MYR 3.81944
208 4NTO 1PW 3.86473
209 2BZG SAH 3.87931
210 2CUL FAD 3.87931
211 4E13 NAD 3.88693
212 1PWB GLC 3.9548
213 2B7N NTM 4.0293
214 2DFV NAD 4.03458
215 2BKA NDP 4.13223
216 1EQ2 NAP 4.16667
217 2X6T NAP 4.16667
218 5F5N NAD 4.16667
219 1RPN NDP 4.16667
220 1LTH NAD 4.16667
221 1E5Q NDP 4.16667
222 1BW9 NAD 4.16667
223 1C1X NAD 4.16667
224 5NUF NAD 4.16667
225 4RQU NAD 4.16667
226 5NUE NAD 4.16667
227 1BXG NAD 4.16667
228 1ZGA SAH 4.16667
229 5CAE COA 4.16667
230 1OHE ACE ALA SEP PRO 4.16667
231 1GAD NAD 4.16667
232 1YB5 NAP 4.16667
233 5LD5 NAD 4.16667
234 1P0F NAP 4.16667
235 4L8V NAP 4.16667
236 5GZ6 NDP 4.16667
237 2JL1 NAP 4.18118
238 3C3Y SAH 4.21941
239 1TL2 NDG 4.23729
240 2YLN CYS 4.24028
241 5N2I NAP 4.31034
242 5ZW3 SAH 4.44444
243 2DKN NAI 4.51389
244 5ZEC NAP 4.51389
245 1Y1P NMN AMP PO4 4.51389
246 5JAQ NAI 4.51389
247 1EK6 NAI 4.51389
248 1EK6 UPG 4.51389
249 4OHU 2TK 4.51389
250 4OHU NAD 4.51389
251 3ABI NAD 4.51389
252 4CQB MLI 4.51389
253 5A1T OXM 4.51389
254 5A1T NAI 4.51389
255 3L4S NAD 4.51389
256 5XVH NAP 4.51389
257 3L4S 3PG 4.51389
258 1F6D UDP 4.51389
259 4PBG BGP 4.51389
260 1KEV NDP 4.51389
261 5Z7B VNL 4.54545
262 3BXO SAM 4.60251
263 3SJU NDP 4.6595
264 5T9E NAP 4.79705
265 4II2 ATP 4.81928
266 1VM6 NAD 4.82456
267 3U4C NDP 4.86111
268 3KO8 NAD 4.86111
269 4R1S NAP 4.86111
270 3HB5 NAP 4.86111
271 5E9W SAH 4.86111
272 1A27 NAP 4.86111
273 5E8J SAH 4.86111
274 3L9W AMP 4.86111
275 2HMT NAI 4.86111
276 9LDT NAD 4.86111
277 9LDB NAD 4.86111
278 5EES NAP 4.86111
279 5JE8 NAD 4.86111
280 1KC7 PPR 4.86111
281 3CQ5 PMP 4.86111
282 5A1S FLC 4.86111
283 1V8B ADN 4.86111
284 1A27 EST 4.86111
285 6D6Y SAH 4.86111
286 1E19 ADP 4.86111
287 1MV8 NAD 4.86111
288 3HB5 E2B 4.86111
289 2NUO BGC 4.91803
290 2NU5 NAG 4.91803
291 2GUC MAN 4.91803
292 2GUD MAN 4.91803
293 2GUD BMA 4.91803
294 2HYR BGC GLC 4.91803
295 2HYQ MAN MAN 4.91803
296 5TWJ SAM 4.93827
297 6AA8 NAD 4.96689
298 2PXX SAH 5.11628
299 5LOG SAH 5.15021
300 5T9F TYR 5.16605
301 5T9F NAP 5.16605
302 5Z75 NAD 5.20833
303 3A4V PYR 5.20833
304 3A4V NAD 5.20833
305 1KEW NAD 5.20833
306 1KEW TYD 5.20833
307 2YY7 NAD 5.20833
308 2Q1S NAI 5.20833
309 5WP5 SAH 5.20833
310 1VL0 NAI 5.20833
311 5WP4 SAH 5.20833
312 1N7G GDR 5.20833
313 3OA2 NAD 5.20833
314 1F06 NDP 5.20833
315 5X9D 80F 5.20833
316 1N7G NDP 5.20833
317 2OOR NAD 5.20833
318 3TWO NDP 5.20833
319 3G89 SAM 5.22088
320 3RFV NAI 5.24345
321 3RFV 15L 5.24345
322 4P5E N6P 5.26316
323 1QPR PHT 5.28169
324 4NEC SAH 5.30303
325 1UPF URF 5.35714
326 1RJW ETF 5.55556
327 3KB6 NAD 5.55556
328 5KKA 6V0 5.55556
329 1A5Z NAD 5.55556
330 5Z20 NAI 5.55556
331 1EZ4 NAD 5.55556
332 2YX1 SFG 5.55556
333 4XZ3 COA 5.55556
334 3PT9 SAH 5.55556
335 1DSS NAD 5.55556
336 2IV3 UDP 5.55556
337 1PZG A3D 5.55556
338 4LS7 1X9 5.55556
339 4G5H NAP 5.78512
340 4G5H UD7 5.78512
341 1WY7 SAH 5.7971
342 4YAC NAI 5.90278
343 5BJX NAD 5.90278
344 5BJX UDP 5.90278
345 1PL6 NAD 5.90278
346 5UAV TFB 5.90278
347 3OFK SAH 5.90278
348 1D1T NAD 5.90278
349 5UAV NDP 5.90278
350 1PL6 572 5.90278
351 4JX1 CAM 5.90278
352 1DJN ADP 5.90278
353 1US2 XYP XYP XYP XYP 5.90278
354 5THY SAH 5.90278
355 1LJ8 NAD 5.90278
356 4ZVV NAD 5.90278
357 4ZVV GN0 5.90278
358 1BXK NAD 5.91549
359 4DK7 0KS 6.07287
360 4TQG NDP 6.25
361 1SC6 NAD 6.25
362 1CF2 NAP 6.25
363 1I9G SAM 6.25
364 1WP4 NDP 6.25
365 3X27 TRP 6.25
366 5TC4 NAD 6.25
367 1NPD NAD 6.25
368 2Q46 NAP 6.32411
369 1O5O U5P 6.33484
370 3GU3 SAH 6.33803
371 5Y8L NAD 6.44068
372 3JWH SAH 6.45161
373 2F7A BEZ 6.46552
374 3ZCB ATP 6.56566
375 1D7O TCL 6.59722
376 1D7O NAD 6.59722
377 4XB2 NDP 6.59722
378 5W7K SAH 6.59722
379 6A0S HSE 6.59722
380 6A0S NDP 6.59722
381 4XB2 HSE 6.59722
382 1TB4 PEJ 6.59722
383 1F8F NAD 6.59722
384 1EJ0 SAM 6.66667
385 1ZQ9 SAM 6.66667
386 4XDY NAI 6.80473
387 3LCC SAH 6.80851
388 3TL1 JRO 6.91824
389 1V35 NAI 6.94444
390 4U7W NDP 6.94444
391 6BWL NAD 6.94444
392 6BII NAP 6.94444
393 2DBZ NAP 6.94444
394 1Z45 NAD 6.94444
395 3BAZ NAP 6.94444
396 1KYQ NAD 6.94444
397 5W4W 9WG 6.94444
398 3A25 SAM 6.94444
399 4DCM SAM 6.94444
400 1GT6 OLA 6.94444
401 4KBA 1QM 6.94444
402 5HJM MTA 6.94444
403 2NU8 COA 6.94444
404 5KO1 6UY 6.94444
405 1ZBQ NAD 7.03364
406 2D2F ADP 7.2
407 5O98 NAP 7.29167
408 6F9Q NAD 7.29167
409 5DF1 58X 7.29167
410 5DF1 NAP 7.29167
411 1HDR NAD 7.29167
412 5AOV NAP 7.29167
413 1SB8 NAD 7.29167
414 1SB8 UD2 7.29167
415 3WMX NAD 7.29167
416 1LDM NAD 7.29167
417 1CDO NAD 7.29167
418 5FI3 NAP 7.29167
419 5U5G NAP 7.29167
420 4KRG SAH 7.29167
421 1H9A NAP 7.29167
422 1NVM NAD 7.29167
423 3H9E NAD 7.29167
424 2XYQ SAH 7.37705
425 4OBW SAM 7.393
426 2FOI JPA 7.43494
427 5EJ2 NAD 7.46753
428 1RJD SAM 7.48503
429 4POO SAM 7.5
430 1H5Q NAP 7.54717
431 1I36 NAP 7.57576
432 5XWV NDP 7.63889
433 5XWV 8H6 7.63889
434 5DOZ NDP 7.63889
435 4BVA NDP 7.63889
436 5AYV NAP 7.63889
437 5F91 5WJ 7.63889
438 4AZW SAM 7.63889
439 5BX3 NOJ 7.63889
440 5N5D SAM 7.9646
441 5K4W NAI 7.98611
442 5K4W THR 7.98611
443 6GKV SAH 7.98611
444 5UR0 NAD 7.98611
445 2C29 NAP 8.01187
446 2C29 DQH 8.01187
447 1JAY NAP 8.01887
448 3KIH GDL 8.24742
449 2PK3 A2R 8.33333
450 2IXB NAD 8.33333
451 2VYN NAD 8.33333
452 5KOK SAH 8.33333
453 1J49 NAD 8.33333
454 2IXB A2G 8.33333
455 3A4T SFG 8.39416
456 5YEC ATP 8.40336
457 1WMA AB3 8.68056
458 1WMA NDP 8.68056
459 1N5D NDP 8.68056
460 2GN4 UD1 8.68056
461 2GN4 NDP 8.68056
462 4PIV NDP 8.68056
463 1WDK NAD 8.68056
464 1LVL NAD 8.68056
465 3HQP OXL 8.68056
466 5ZI2 ADP 8.69565
467 5ZI2 NAD 8.69565
468 1NNU NAD 8.73362
469 1NNU TCT 8.73362
470 5HZ9 5M8 8.88889
471 5MSO NAP 9.02778
472 2HK9 ATR 9.02778
473 2HK9 NAP 9.02778
474 2JK0 ASP 9.02778
475 2JHP SAH 9.02778
476 2ZWA SAH 9.06475
477 2WYV NAD 9.1954
478 5OVL NAP 9.375
479 3H4V DVP 9.375
480 3H4V NAP 9.375
481 3A06 NDP 9.375
482 5F8F SFG 9.375
483 5Z21 NAI 9.375
484 5DO8 BGC 9.375
485 1IT7 GUN 9.375
486 3A06 FOM 9.375
487 5Z2L NDP 9.38776
488 5I7S E9P 9.42029
489 5I7S NAD 9.42029
490 1FAO 4IP 9.52381
491 4LO2 GAL BGC 9.52381
492 4QTU SAM 9.62963
493 3T7S SAM 9.70149
494 1SQF SAM 9.72222
495 1R6D DAU 9.72222
496 1KYZ SAH 9.72222
497 1R6D NAD 9.72222
498 5HWK BEZ 9.72222
499 3C1O NAP 9.72222
500 5KVS NAP 9.72222
501 2B5W NAP 9.72222
502 3QV1 NAD 9.7561
503 1EYQ NAR 10.0694
504 3OIG NAD 10.1504
505 1XTT U5P 10.1852
506 5Z2F NAP 10.1887
507 1H2B NAJ 10.3064
508 2BGM NAJ 10.4167
509 1T36 ORN 10.4167
510 1EBF NAD 10.4167
511 5ERG SAM 10.4167
512 3NK7 SAM 10.4167
513 3HF3 FMN 10.4167
514 5OVK NDP 10.5469
515 3H8V ATP 10.7639
516 5L95 AMP 10.7639
517 1O6Z NAD 10.7639
518 4WA2 SIA GAL NAG 10.7639
519 1CKM GTP 10.7639
520 4FOU C2E 11.3636
521 5OCM NAP 11.4583
522 1LLU NAD 11.4583
523 5ZZ6 ADP 11.5385
524 5ZZ6 NAD 11.5385
525 3GEG NAD 12.1457
526 2PV7 NAD 12.1528
527 3GRU AMP 12.1528
528 1UXG FUM 12.1528
529 1UXG NAD 12.1528
530 2DTX BMA 12.5
531 4NBT NAD 12.5
532 2NNJ 225 12.5
533 4JLS 3ZE 12.5
534 5MPT SAH 12.8472
535 1R37 NAD 12.8472
536 1LSS NAD 12.8571
537 4JP3 CIT 12.9707
538 1MID LAP 13.1868
539 3LU1 NAD 13.1944
540 1UAY ADN 13.6364
541 4O1M NAD 13.8889
542 2CVQ NDP 13.8889
543 1W73 NAP 14.5695
544 1W8D NAP 14.5695
545 4J1Q NDP 14.5833
546 3VYW SAM 14.5833
547 1J5P NAD 15.415
548 1L3I SAH 15.625
549 5L4L NAP 15.9722
550 5L4L 7OX 15.9722
551 1DTL BEP 16.1491
552 4Q9N NAI 16.443
553 1W6U NAP 16.6667
554 4HXY NDP 17.3516
555 4HXY ACA 17.3516
556 1GZ6 NAI 17.3611
557 1HYE NAP 17.3611
558 1UZN NAP 17.7083
559 1E3I CXF 18.0556
560 5LUB 3Y7 18.3206
561 4FC7 NAP 19.1336
562 4FC7 COA 19.1336
563 5G4L NDP 19.9301
564 3O26 NDP 20.1389
565 5EIN NAP 20.3704
566 5L53 NAP 20.8333
567 4IXW IXW 20.8661
568 3RJ5 NAD 22.0472
569 2PD4 NAD 22.1818
570 2PD4 DCN 22.1818
571 5L4S NAP 22.9167
572 5L4S 6KX 22.9167
573 3VZS NAP 23.3463
574 3VZS CAA 23.3463
575 1SNY NAP 24.6528
576 5GT9 NAP 26.9962
577 3QWI NAP 28.4722
578 3QWI CUE 28.4722
579 1U7T TDT 28.8194
580 1U7T NAD 28.8194
581 4D42 W0I 28.8194
582 4D42 NAP 28.8194
583 4Y9D NAI 29.1667
584 5K6A NAP 29.8611
585 5JDC NAP 29.8611
586 5JDI NAP 29.8611
587 5JCJ NAP 29.8611
588 4CM8 NAP 29.8611
589 3BMO NAP 29.8611
590 4CMI NAP 29.8611
591 3SJ7 NDP 29.8611
592 4CM9 NAP 29.8611
593 3BMN NAP 29.8611
594 4CLR NAP 29.8611
595 3JQ9 NAP 29.8611
596 3JQA NAP 29.8611
597 4CM4 NAP 29.8611
598 3JQG NAP 29.8611
599 3JQF NAP 29.8611
600 3BMQ NAP 29.8611
601 4CLO NAP 29.8611
602 3JQ7 NAP 29.8611
603 4CME NAP 29.8611
604 3JQB NAP 29.8611
605 3JQ8 NAP 29.8611
606 4CM9 YGL 29.8611
607 5JCJ 6JM 29.8611
608 5JDI 6JO 29.8611
609 3JQ7 DX2 29.8611
610 3BMQ AX5 29.8611
611 3JQA DX4 29.8611
612 4CME KTZ 29.8611
613 5JDC 6JP 29.8611
614 3BMO AX4 29.8611
615 1G0N PHH 30.0353
616 1G0N NDP 30.0353
617 6CI9 NAP 30.2083
618 3OJF IMJ 30.2083
619 3OJF NDP 30.2083
620 4YAG NAI 30.2083
621 6CI9 F3V 30.2083
622 4O0L NDP 30.5455
623 1VL8 NAP 30.7116
624 5THQ NDP 30.8824
625 3AFN NAP 31.0078
626 1JA9 NDP 31.0219
627 1JA9 PYQ 31.0219
628 4QED NAP 31.25
629 3V1U NAD 31.25
630 1MXH DHF 31.5217
631 1MXH NAP 31.5217
632 1E6W NAD 31.5972
633 3ZV6 4HB 31.6726
634 3ZV6 NAD 31.6726
635 4OSP NAP 31.9392
636 1XSE NDP 31.9444
637 2VZ0 NAP 32.0896
638 2VZ0 D64 32.0896
639 2WD7 NAP 32.0896
640 2WD7 VGD 32.0896
641 1BDB NAD 32.13
642 1AE1 NAP 32.6007
643 1E3W NAD 32.6389
644 4K26 SFF 32.6389
645 4K26 NDP 32.6389
646 4NBW NAD 32.6848
647 3CH6 311 32.9861
648 3CH6 NAP 32.9861
649 1ZK4 NAP 33.0677
650 1ZK4 AC0 33.0677
651 5WUW NAP 33.3333
652 1HDC CBO 33.4646
653 2AG5 NAD 33.7398
654 2RH4 EMO 33.935
655 1XKQ NDP 34.0278
656 3WXB NDP 34.0502
657 4FN4 NAD 34.252
658 5OJI NAP 34.6154
659 5OJI ISN 34.6154
660 5EPO NAP 34.7328
661 5EPO TUD 34.7328
662 2Q2V NAD 34.902
663 5O42 NAD 35.0365
664 5O42 BGC 35.0365
665 5O42 9JW 35.0365
666 1GEG NAD 35.1562
667 2CFC NAD 35.2
668 2CFC KPC 35.2
669 1EDO NAP 35.2459
670 3O03 NAP 35.4167
671 3O03 GCO 35.4167
672 2WSB NAD 35.4331
673 2B4Q NAP 35.5072
674 4NBU NAI 35.6
675 3NUG NAD 35.6275
676 4CQM NAP 35.6557
677 1NFQ NAI 35.7692
678 5T2U NAP 35.8871
679 5WQP NCA 35.8974
680 5WQP NAP 35.8974
681 4ZA2 NAD 35.9684
682 4RF2 NAP 36.0294
683 5YSS NAD 36.1111
684 1O5I NAD 36.1446
685 2ZAT NAP 36.1538
686 1IY8 NAD 36.3296
687 3TN7 NJP 36.5759
688 1ZEM NAD 36.6412
689 4ITU NAI 36.803
690 4ITU 1HS 36.803
691 3ICC NAP 37.2549
692 1YXM ADE 37.5
693 1XG5 NAP 37.6344
694 5B4T 3HR 37.6923
695 5B4T NAD 37.6923
696 1XHL NDP 37.8472
697 2AE2 PTO 38.0769
698 2AE2 NAP 38.0769
699 3AY6 BGC 38.29
700 3AY6 NAI 38.29
701 2JAP NDP 38.4615
702 2JAP J01 38.4615
703 3A28 NAD 38.7597
704 2JAH NDP 38.8664
705 3RKR NAP 38.9313
706 2EWM NAD 38.9558
707 5FEU NAP 39.2361
708 5GWT SIN 39.2361
709 5GWT NAD 39.2361
710 3OID NDP 39.9225
711 3OID TCL 39.9225
712 4KWI 1TJ 40.6844
713 4KWI NAP 40.6844
714 3AI3 SOL 40.6844
715 2GDZ NAD 41.1985
716 1GEE NAD 41.7625
717 1X1T NAD 41.9231
718 5FFF NAP 42.8016
719 5FFF 5XC 42.8016
720 1Q7B NAP 46.3115
721 1PR9 NAP 46.7213
722 3D3W NAP 46.7213
723 4URF NAD 47.1774
Pocket No.: 2; Query (leader) PDB : 4J7U; Ligand: NAP; Similar sites found with APoc: 614
This union binding pocket(no: 2) in the query (biounit: 4j7u.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 4EKV BTN None
2 3EW2 BTN None
3 5C2N NAG None
4 1FK8 NAD 0.694444
5 1E7S NAP 1.04167
6 2HJR APR 1.04167
7 4PVD NDP 1.73611
8 1GY8 NAD 1.73611
9 2Q1W NAD 1.73611
10 3SSO SAH 1.73611
11 1X87 NAD 1.73611
12 3V1Y NAD 1.73611
13 3B20 NAD 1.73611
14 3WLE NAD 1.73611
15 4K7O EKZ 1.78571
16 3EVF GTA 1.80505
17 2XVM SAH 2.01005
18 2FR1 NDP 2.05761
19 1RKX NAD 2.08333
20 1WVG APR 2.08333
21 3GGO NAI 2.08333
22 2PUZ NIG 2.08333
23 1LDN NAD 2.08333
24 4OOE FOM 2.08333
25 1EWK GLU 2.08333
26 1GUZ NAD 2.08333
27 4OOE NDP 2.08333
28 4PLT NAI 2.08333
29 1PJS NAD 2.08333
30 6FDF SAH 2.08333
31 5AWM ANP 2.08333
32 1VKO NAD 2.08333
33 1B8U NAD 2.12766
34 1B8U OAA 2.12766
35 2G5C NAD 2.13523
36 3A27 SAM 2.20588
37 5W7M SAH 2.24359
38 3WV8 ATP 2.29358
39 2VT3 ATP 2.32558
40 3ORF NAD 2.39044
41 6EL3 NAP 2.43056
42 1V59 NAD 2.43056
43 1DNP MHF 2.43056
44 2VUT NAD 2.43056
45 1UDB UFG 2.43056
46 1UDB NAD 2.43056
47 1TI7 NAP 2.43056
48 5XNC MTA 2.43056
49 5FA5 MTA 2.43056
50 1GV0 NAD 2.43056
51 5D85 FLC 2.43056
52 4KIB SAH 2.43056
53 3G2O SAM 2.43056
54 4OM8 NAD 2.43056
55 3CIF NAD 2.43056
56 5DN9 NAD 2.43056
57 1HDG NAD 2.43056
58 1Y8Q ATP 2.43056
59 1HYH NAD 2.43056
60 2EXX NAP 2.43056
61 1GZ4 ATP 2.43056
62 3CIF G3H 2.43056
63 2F1K NAP 2.50896
64 5URY PAM 2.73973
65 5CG1 NAD BBN 2.77778
66 4ZRN UPG 2.77778
67 4ZRN NAD 2.77778
68 2C5A NAD 2.77778
69 2C5A GDC 2.77778
70 1YS4 NAP 2.77778
71 2I3G NAP 2.77778
72 2PZM UDP 2.77778
73 2PZM NAD 2.77778
74 4ZGS NAD 2.77778
75 1U1I NAD 2.77778
76 4DMG SAM 2.77778
77 4RDH AMP 2.77778
78 4D3F NAP 2.77778
79 4DPL NAP 2.77778
80 1NVT NAP 2.77778
81 4D79 ATP 2.77778
82 3H5N ATP 2.77778
83 2GZ3 NAP 2.77778
84 4XQC NAD 2.77778
85 2B4R AES 2.77778
86 4E5N NAD 2.77778
87 4RDI ATP 2.77778
88 2JJQ SAH 2.77778
89 1SOW NAD 2.77778
90 1O0S NAI 2.77778
91 3KIF GDL 2.83019
92 2ZSC BTN 2.83688
93 2VDV SAM 2.84553
94 1ORR NAD 2.88184
95 3EGI ADP 2.91262
96 3BEO UDP 2.93333
97 1NYT NAP 2.95203
98 5BW4 SAM 2.99625
99 1QG6 TCL 3.06513
100 1QG6 NAD 3.06513
101 6DNT NAD 3.125
102 5Y1G AKB 3.125
103 5Y1G NAD 3.125
104 5OOH NAP 3.125
105 5OOH 9ZZ 3.125
106 2GCG NDP 3.125
107 4WBD CIT 3.125
108 2YP9 SIA CMO 3.125
109 3B1F NAD 3.125
110 3VSE SAH 3.125
111 4TQ3 GPP 3.125
112 4LWP SAH 3.125
113 5BN3 ADP 3.125
114 5EPA AKG 3.22581
115 5BSH PRO 3.2491
116 2WA2 SAM 3.26087
117 5O96 SAM 3.26531
118 5Z49 RUB 3.34728
119 2DC1 NAD 3.38983
120 3CBG SAH 3.44828
121 4YMX ARG 3.46154
122 1G60 SAM 3.46154
123 2V6G NAP 3.47222
124 4EUE NAI 3.47222
125 1V6A TRE 3.47222
126 5MLR NAP 3.47222
127 5MLR GRQ 3.47222
128 5IN4 6CK 3.47222
129 5IN4 GDP 3.47222
130 1OC2 NAD 3.47222
131 1OC2 TDX 3.47222
132 5IN4 NAP 3.47222
133 2CDU ADP 3.47222
134 4BG4 ARG 3.47222
135 4KVL PLM 3.47222
136 4CCK OGA 3.47222
137 5ENZ UDP 3.47222
138 1X7D NAD 3.47222
139 1FP2 SAH 3.47222
140 2J6U DGT 3.47222
141 4UP4 GAL NAG 3.47222
142 3FSY SCA 3.47222
143 6ECT SAM 3.47222
144 1R18 SAH 3.52423
145 4GLL NAD 3.56083
146 1P19 IMP 3.61991
147 3FUU ADN 3.69004
148 4OB6 S2T 3.81944
149 2UYQ SAM 3.81944
150 3O7W SAM 3.81944
151 5MDH NAD 3.81944
152 4MDH NAD 3.81944
153 5YIF 8VR 3.81944
154 1I2B USQ 3.81944
155 1I2B UPG 3.81944
156 1I2B NAD 3.81944
157 4YMH SAH 3.81944
158 6CEP NAD 3.81944
159 6CEP OXM 3.81944
160 1CER NAD 3.81944
161 3VPH OXM 3.81944
162 3AXI GLC 3.81944
163 4R5M NAP 3.81944
164 1GQ2 NAP 3.81944
165 4GKV NAD 3.81944
166 3I6I NDP 3.81944
167 3VPH NAD 3.81944
168 3GFB NAD 3.81944
169 4NTO 1PW 3.86473
170 2B7N NTM 4.0293
171 2DFV NAD 4.03458
172 2BKA NDP 4.13223
173 1EQ2 NAP 4.16667
174 2X6T NAP 4.16667
175 5F5N NAD 4.16667
176 1RPN NDP 4.16667
177 1E5Q NDP 4.16667
178 1LTH NAD 4.16667
179 1ZGA SAH 4.16667
180 5NUF NAD 4.16667
181 1BXG NAD 4.16667
182 1GAD NAD 4.16667
183 4L8V NAP 4.16667
184 5NUE NAD 4.16667
185 5LD5 NAD 4.16667
186 1C1X NAD 4.16667
187 1BW9 NAD 4.16667
188 4RQU NAD 4.16667
189 5GZ6 NDP 4.16667
190 2JL1 NAP 4.18118
191 3C3Y SAH 4.21941
192 1TL2 NDG 4.23729
193 5N2I NAP 4.31034
194 5ZW3 SAH 4.44444
195 2DKN NAI 4.51389
196 5ZEC NAP 4.51389
197 5JAQ NAI 4.51389
198 1Y1P NMN AMP PO4 4.51389
199 1EK6 NAI 4.51389
200 1EK6 UPG 4.51389
201 4OHU NAD 4.51389
202 4OHU 2TK 4.51389
203 3ABI NAD 4.51389
204 3HQ9 OXL 4.51389
205 5A1T OXM 4.51389
206 5A1T NAI 4.51389
207 4PBG BGP 4.51389
208 1F6D UDP 4.51389
209 3L4S NAD 4.51389
210 3L4S 3PG 4.51389
211 1EBG PAH 4.51389
212 5Z7B VNL 4.54545
213 3BXO SAM 4.60251
214 3SJU NDP 4.6595
215 5T9E NAP 4.79705
216 1VM6 NAD 4.82456
217 3U4C NDP 4.86111
218 3KO8 NAD 4.86111
219 4R1S NAP 4.86111
220 3HB5 NAP 4.86111
221 1A27 NAP 4.86111
222 5E9W SAH 4.86111
223 5E8J SAH 4.86111
224 2HMT NAI 4.86111
225 3L9W AMP 4.86111
226 9LDT NAD 4.86111
227 6D6Y SAH 4.86111
228 9LDB NAD 4.86111
229 1A27 EST 4.86111
230 1V8B ADN 4.86111
231 1E19 ADP 4.86111
232 3HB5 E2B 4.86111
233 5JE8 NAD 4.86111
234 1XVB BHL 4.93359
235 2PXX SAH 5.11628
236 5T9F TYR 5.16605
237 5Z75 NAD 5.20833
238 3A4V PYR 5.20833
239 3A4V NAD 5.20833
240 2YY7 NAD 5.20833
241 1KEW TYD 5.20833
242 1KEW NAD 5.20833
243 1VL0 NAI 5.20833
244 5WP5 SAH 5.20833
245 2Q1S NAI 5.20833
246 5WP4 SAH 5.20833
247 3OA2 NAD 5.20833
248 1N7G GDR 5.20833
249 5M8T 0TR 5.20833
250 1N7G NDP 5.20833
251 4JNJ BTN 5.21739
252 3G89 SAM 5.22088
253 3RFV NAI 5.24345
254 3RFV 15L 5.24345
255 1QPR PHT 5.28169
256 4NEC SAH 5.30303
257 1UPF URF 5.35714
258 6CZI 38E 5.35714
259 1RJW ETF 5.55556
260 2YX1 SFG 5.55556
261 3KB6 NAD 5.55556
262 4XZ3 COA 5.55556
263 5KKA 6V0 5.55556
264 5HSS 64Z 5.55556
265 3PT9 SAH 5.55556
266 5Z20 NAI 5.55556
267 1EZ4 NAD 5.55556
268 1A5Z NAD 5.55556
269 1DSS NAD 5.55556
270 4G5H NAP 5.78512
271 4G5H UD7 5.78512
272 4YAC NAI 5.90278
273 5BJX NAD 5.90278
274 5BJX UDP 5.90278
275 3OFK SAH 5.90278
276 5UAV TFB 5.90278
277 3ZDS OMD 5.90278
278 5UAV NDP 5.90278
279 1PL6 NAD 5.90278
280 5THY SAH 5.90278
281 1PL6 572 5.90278
282 1D1T NAD 5.90278
283 1BXK NAD 5.91549
284 4GGZ BTN 6.08696
285 4TO8 FLC 6.16438
286 4TQG NDP 6.25
287 3X27 TRP 6.25
288 1SC6 NAD 6.25
289 1I9G SAM 6.25
290 5TC4 NAD 6.25
291 1CF2 NAP 6.25
292 5JNW 6LJ 6.28931
293 2Q46 NAP 6.32411
294 1O5O U5P 6.33484
295 3GU3