-->
Receptor
PDB id Resolution Class Description Source Keywords
2JAH 1.8 Å EC: 1.-.-.- BIOCHEMICAL AND STRUCTURAL ANALYSIS OF THE CLAVULANIC ACID DEHYDEOGENASE (CAD) FROM STREPTOMYCES CLAVULIGERUS STREPTOMYCES CLAVULIGERUS SHORT-CHAIN DEHYDROGENASE/REDUCTASE LACTAMASE INHIBITOR ANBIOSYNTHESIS NADPH OXIDOREDUCTASE CLAVULANIC ACID
Ref.: CLAVULANIC ACID DEHYDROGENASE: STRUCTURAL AND BIOCH ANALYSIS OF THE FINAL STEP IN THE BIOSYNTHESIS OF T BETA-LACTAMASE INHIBITOR CLAVULANIC ACID BIOCHEMISTRY V. 46 1523 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:1248;
B:1248;
C:1248;
D:1248;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JAH 1.8 Å EC: 1.-.-.- BIOCHEMICAL AND STRUCTURAL ANALYSIS OF THE CLAVULANIC ACID DEHYDEOGENASE (CAD) FROM STREPTOMYCES CLAVULIGERUS STREPTOMYCES CLAVULIGERUS SHORT-CHAIN DEHYDROGENASE/REDUCTASE LACTAMASE INHIBITOR ANBIOSYNTHESIS NADPH OXIDOREDUCTASE CLAVULANIC ACID
Ref.: CLAVULANIC ACID DEHYDROGENASE: STRUCTURAL AND BIOCH ANALYSIS OF THE FINAL STEP IN THE BIOSYNTHESIS OF T BETA-LACTAMASE INHIBITOR CLAVULANIC ACID BIOCHEMISTRY V. 46 1523 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 2JAH - NDP C21 H30 N7 O17 P3 c1nc(c2c(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 2JAH - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 2JAH - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 172
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 1DG 0.68 1
8 DG1 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JAH; Ligand: NDP; Similar sites found with APoc: 749
This union binding pocket(no: 1) in the query (biounit: 2jah.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 1FP2 SAH None
2 1FP1 SAH None
3 4M37 SAH None
4 4M38 SAH None
5 5TVI O8N None
6 4FGC PQ0 None
7 5C2N NAG None
8 1ZQ9 SAM None
9 3TD3 GLY None
10 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU None
11 5ZW3 SAH None
12 1Z0N BCD None
13 5O96 SAM None
14 6FDF SAH 0.809717
15 2F1K NAP 0.809717
16 5E9W SAH 0.809717
17 5E8J SAH 0.809717
18 5WP4 SAH 0.809717
19 5WP5 SAH 0.809717
20 2VDV SAM 0.813008
21 6EL3 NAP 1.21457
22 3T7S SAM 1.21457
23 4RPL 3UC 1.21457
24 4RPL FAD 1.21457
25 6ECT SAM 1.21457
26 2D2F ADP 1.21457
27 4L8V NAP 1.21457
28 1QAN SAH 1.22951
29 4YMH SAH 1.25
30 3LCC SAH 1.2766
31 3TLJ SAH 1.34048
32 1P19 IMP 1.35747
33 2I3G NAP 1.61943
34 5JGL SAM 1.61943
35 5W7R SAH 1.61943
36 2Q1S NAI 1.61943
37 2Z9I GLY ALA THR VAL 1.61943
38 2EG5 SAH 1.61943
39 3S5W NAP 1.61943
40 4JK3 NAD 1.61943
41 5A1S FLC 1.61943
42 4P86 5GP 1.63934
43 5E1M SAH 1.65975
44 3P2E SAH 1.77778
45 1EK6 NAI 2.02429
46 4G5H UD7 2.02429
47 4G5H NAP 2.02429
48 1EK6 UPG 2.02429
49 1RPN NDP 2.02429
50 5XWV NDP 2.02429
51 5XWV 8H6 2.02429
52 4NEC SAH 2.02429
53 2CVZ NDP 2.02429
54 3V1Y NAD 2.02429
55 2WPB ZZI 2.02429
56 2HYV UAP SGN IDS SGN IDS 2.02429
57 1J49 NAD 2.02429
58 5NA1 FAD 2.02429
59 5UR0 NAD 2.02429
60 1TL2 NDG 2.11864
61 1T26 GBD 2.17391
62 1T26 NAI 2.17391
63 3EW2 BTN 2.22222
64 6DUB SAH 2.25225
65 6BR7 BEF 2.25564
66 5OOH NAP 2.42718
67 5OOH 9ZZ 2.42718
68 4TQG NDP 2.42915
69 5ZEC NAP 2.42915
70 4Q9N NAI 2.42915
71 6BWL NAD 2.42915
72 1ORR NAD 2.42915
73 6DNT NAD 2.42915
74 1V35 NAI 2.42915
75 1NNU NAD 2.42915
76 1NNU TCT 2.42915
77 5MPT SAH 2.42915
78 1ZGA SAH 2.42915
79 2C29 NAP 2.42915
80 1G55 SAH 2.42915
81 2RI1 GLP 2.42915
82 2C29 DQH 2.42915
83 1EZ4 NAD 2.42915
84 1TI7 NAP 2.42915
85 2VUT NAD 2.42915
86 6H45 QEI 2.42915
87 4KRG SAH 2.42915
88 4OOE FOM 2.42915
89 4OOE NDP 2.42915
90 5IL1 SAM 2.42915
91 3VSS FRU 2.42915
92 5JE8 NAD 2.42915
93 1H2B NAJ 2.42915
94 5K7U SAM 2.42915
95 5JWC FAD 2.42915
96 5G6U TRP 2.42915
97 1RM4 NDP 2.42915
98 5FUB SAH 2.42915
99 1IT7 GUN 2.42915
100 5GM1 SAH 2.42915
101 1Z82 NDP 2.42915
102 4DYG MES 2.45902
103 3UIE ADX 2.5
104 3BXO SAM 2.51046
105 1M0S CIT 2.73973
106 2VT3 ATP 2.7907
107 5MLR NAP 2.83401
108 5MLR GRQ 2.83401
109 3ORF NAD 2.83401
110 1GV0 NAD 2.83401
111 5FTW SAH 2.83401
112 4D3F NAP 2.83401
113 2BMB PMM 2.83401
114 6GKV SAH 2.83401
115 1R6D NAD 2.83401
116 3SSO SAH 2.83401
117 3LKZ SFG 2.83401
118 1DJN ADP 2.83401
119 1R6D DAU 2.83401
120 5N6C NAD 2.83401
121 1G60 SAM 2.83401
122 5KVS NAP 2.83401
123 3H5N ATP 2.83401
124 1I8T FAD 2.83401
125 5ZYN FAD 2.83401
126 2IZ1 ATR 2.83401
127 1Q0H NDP 2.83401
128 3C1O NAP 2.83401
129 4J36 1HR 2.83401
130 4DSG FAD 2.83401
131 4DSG UDP 2.83401
132 1Q0H FOM 2.83401
133 4J36 FAD 2.83401
134 5HJM MTA 2.83401
135 5HSA FAS 2.83401
136 3PT9 SAH 2.83401
137 3MB5 SAM 2.83401
138 1YY5 FAD 2.83401
139 5X68 FAD 2.83401
140 1RSG FAD 2.83401
141 1T9D P22 2.83401
142 5KVA SAM 2.83401
143 3A25 SAM 2.83401
144 1LSS NAD 2.85714
145 1HDR NAD 2.86885
146 5EIN NAP 3.19767
147 4HXY NDP 3.23887
148 1E7S NAP 3.23887
149 2Q1W NAD 3.23887
150 3B1F NAD 3.23887
151 5XNC MTA 3.23887
152 2V7B BEZ 3.23887
153 1PL6 NAD 3.23887
154 1GUZ NAD 3.23887
155 6CEP NAD 3.23887
156 1UDB NAD 3.23887
157 1UDB UFG 3.23887
158 1J5P NAD 3.23887
159 6CEP OXM 3.23887
160 1KYZ SAH 3.23887
161 4ZVV NAD 3.23887
162 3LST SAH 3.23887
163 4DCM SAM 3.23887
164 4ZVV GN0 3.23887
165 3X0D SAH 3.23887
166 4R5M NAP 3.23887
167 1GAD NAD 3.23887
168 6BII NAP 3.23887
169 1UXG NAD 3.23887
170 1UXG FUM 3.23887
171 2DBZ NAP 3.23887
172 1LVL NAD 3.23887
173 5CDH TLA 3.23887
174 1TZD ADP 3.23887
175 4RLQ 3SK 3.23887
176 3VYW SAM 3.23887
177 5H81 NAP 3.23887
178 5OC1 FAD 3.23887
179 2A14 SAH 3.23887
180 1H82 GZZ 3.23887
181 3BP1 GUN 3.23887
182 4R5M 4NO 3.23887
183 4RKX 3S9 3.23887
184 1H82 FAD 3.23887
185 2ZFU SAH 3.25581
186 3MAG SAH 3.25733
187 5TQZ GLC 3.33333
188 3MCT SAH 3.367
189 3C3Y SAH 3.37553
190 1WY7 SAH 3.38164
191 1MFI FHC 3.50877
192 4ZRN NAD 3.64372
193 2YY7 NAD 3.64372
194 4ZRN UPG 3.64372
195 3L9W AMP 3.64372
196 5YEC ATP 3.64372
197 1SB8 NAD 3.64372
198 1SB8 UD2 3.64372
199 4XQC 13D 3.64372
200 4XQC NAD 3.64372
201 3GCZ SAM 3.64372
202 1SQF SAM 3.64372
203 5FA5 MTA 3.64372
204 4POO SAM 3.64372
205 5LD5 NAD 3.64372
206 1SC6 NAD 3.64372
207 4N49 SAM 3.64372
208 1E1M NAP 3.64372
209 1E1M FAD 3.64372
210 4PNE SAH 3.64372
211 1CF2 NAP 3.64372
212 4GQB 0XU 3.64372
213 1O94 ADP 3.64372
214 4ONQ SFG 3.64372
215 5T9F NAP 3.64372
216 3HDY FAD 3.64372
217 5T9F TYR 3.64372
218 3HDY FDA 3.64372
219 3HDY GDU 3.64372
220 5MIT FAD 3.64372
221 5MIT NAP 3.64372
222 5DN9 NAD 3.64372
223 4UCI SAM 3.64372
224 1GPM CIT 3.64372
225 4OBW SAM 3.64372
226 4KRI SAH 3.64372
227 5JCA FAD 3.64372
228 5X9D 80F 3.64372
229 4Z28 BTN 3.73134
230 5BW4 SAM 3.74532
231 2DT5 NAD 3.79147
232 5ZZ6 ADP 3.84615
233 5ZZ6 NAD 3.84615
234 2XVM SAH 4.0201
235 4RSL FAD 4.04494
236 3KO8 NAD 4.04858
237 1OC2 TDX 4.04858
238 1OC2 NAD 4.04858
239 1GY8 NAD 4.04858
240 2EXX NAP 4.04858
241 3G89 SAM 4.04858
242 1P77 ATR 4.04858
243 1V59 NAD 4.04858
244 4FZV SAM 4.04858
245 2XYQ SAH 4.04858
246 2P41 SAH 4.04858
247 3A4T SFG 4.04858
248 2YX1 SFG 4.04858
249 5Z20 NAI 4.04858
250 5KOK SAH 4.04858
251 5X20 NAD 4.04858
252 5E72 SAM 4.04858
253 1VKO NAD 4.04858
254 2NAD NAD 4.04858
255 1Q6I FK5 4.04858
256 5DNK SAH 4.04858
257 1EBF NAD 4.04858
258 1D4D FAD 4.04858
259 5DOZ NDP 4.04858
260 4XYB NDP 4.04858
261 1V59 FAD 4.04858
262 1YS4 NAP 4.04858
263 5WHU SIA 4.04858
264 2BKA NDP 4.13223
265 1XFF GLU 4.16667
266 3OFK SAH 4.16667
267 2GL0 ADN 4.19162
268 3K0T BGC 4.1958
269 4AF5 CIT 4.21053
270 2Q37 3AL 4.41989
271 4QTU SAM 4.44444
272 1BXK NAD 4.45344
273 3A06 NDP 4.45344
274 1X87 NAD 4.45344
275 9LDT NAD 4.45344
276 9LDB NAD 4.45344
277 5NUF NAD 4.45344
278 1OFL ASG GCD 4.45344
279 4C4A SAH 4.45344
280 3ZNN FAD 4.45344
281 3ZNN 4WL 4.45344
282 5NUE NAD 4.45344
283 1PIG GLC GLC 4.45344
284 2IXB A2G 4.45344
285 1HDG NAD 4.45344
286 2GSD NAD 4.45344
287 6C5B SAH 4.45344
288 2IXB NAD 4.45344
289 2YVJ NAI 4.45344
290 3VPH NAD 4.45344
291 3A06 FOM 4.45344
292 4MDH NAD 4.45344
293 3VPH OXM 4.45344
294 1I2B USQ 4.45344
295 1I2B NAD 4.45344
296 1I2B UPG 4.45344
297 1QK3 5GP 4.45344
298 3UCL NAP 4.45344
299 2JB2 PHE 4.45344
300 2JB2 FAD 4.45344
301 1ZH8 NAP 4.45344
302 4MO2 FDA 4.45344
303 1GTE FAD 4.45344
304 5MDH NAD 4.45344
305 6HDT BTN 4.51128
306 1JG3 ADN 4.68085
307 3KIF GDL 4.71698
308 5J6Y GLC 4.78723
309 5J6Y BGC 4.78723
310 1V6A TRE 4.8583
311 3H8V ATP 4.8583
312 5L95 AMP 4.8583
313 1HYE NAP 4.8583
314 2ZWA SAH 4.8583
315 3EVG SAH 4.8583
316 4DPL NAP 4.8583
317 5T9E NAP 4.8583
318 3OJO NAD 4.8583
319 1C0I BE2 4.8583
320 1C0I FAD 4.8583
321 4ARU TLA 4.8583
322 5Z21 NAI 4.8583
323 3WGT QSC 4.8583
324 5O9F 9ON 4.8583
325 1H5R THM 4.8583
326 5O9F NAD 4.8583
327 5A1T NAI 4.8583
328 3GRU AMP 4.8583
329 3WGT FAD 4.8583
330 5N2I NAP 4.8583
331 5A1T OXM 4.8583
332 3WBF NAP 4.8583
333 3LGS ADE 4.86891
334 3QV1 NAD 4.87805
335 1NXJ TLA 4.91803
336 1QPR PHT 4.92958
337 3AB4 THR 5.05618
338 3QX9 ATP 5.07246
339 5HWC FK5 5.21739
340 1WVG APR 5.26316
341 2GZ3 NAP 5.26316
342 4GKV NAD 5.26316
343 4LWP SAH 5.26316
344 4A6D SAM 5.26316
345 1Q8S MAN MMA 5.26316
346 2PX8 SAH 5.26316
347 3A27 SAM 5.26316
348 1UKG MMA 5.26316
349 1Q8Q MAN MMA 5.26316
350 1HYH NAD 5.26316
351 5H6S HDH 5.26316
352 1KOL NAD 5.26316
353 4AT0 FAD 5.26316
354 1OMO NAD 5.26316
355 2B4R NAD 5.26316
356 1N2X SAM 5.26316
357 2PV7 NAD 5.26316
358 5MZI FAD 5.26316
359 5MZI FYK 5.26316
360 5U8U FAD 5.26316
361 4LZB URA 5.46218
362 3DXY SAM 5.50459
363 2DC1 NAD 5.50847
364 3OA2 NAD 5.66038
365 1RKX NAD 5.66802
366 3LU1 NAD 5.66802
367 4U7W NDP 5.66802
368 4GLL NAD 5.66802
369 1PJS NAD 5.66802
370 3I6I NDP 5.66802
371 4DMG SAM 5.66802
372 1JG9 GLC 5.66802
373 3CIF NAD 5.66802
374 3ZIA ADP 5.66802
375 1DSS NAD 5.66802
376 3BAZ NAP 5.66802
377 3AD8 FAD 5.66802
378 3AD8 PYC 5.66802
379 3CIF G3H 5.66802
380 1JNR FAD 5.66802
381 2OBF F83 5.66802
382 2OBF SAH 5.66802
383 4Z0H NAD 5.66802
384 3LCV SAM 5.69395
385 3T2W BTN 5.7377
386 4JLS 3ZE 5.92105
387 5MSO NAP 6.07287
388 4EUE NAI 6.07287
389 4PVD NDP 6.07287
390 2JHP SAH 6.07287
391 1O6Z NAD 6.07287
392 1RJD SAM 6.07287
393 2WA2 SAM 6.07287
394 5KKA 6V0 6.07287
395 3KB6 NAD 6.07287
396 1PZG A3D 6.07287
397 3G2O SAM 6.07287
398 5UAV TFB 6.07287
399 1N7G NDP 6.07287
400 4OPC PGT 6.07287
401 4OPC FDA 6.07287
402 1N7G GDR 6.07287
403 5UAV NDP 6.07287
404 3WLE NAD 6.15836
405 5THY SAH 6.47773
406 5AYV NAP 6.47773
407 5THZ SAH 6.47773
408 3FSY SCA 6.47773
409 2E5V FAD 6.47773
410 1BZL GCG 6.47773
411 1BZL FAD 6.47773
412 2HNK SAH 6.47773
413 2PWY SAH 6.58915
414 2YAB AMP 6.6482
415 2OFW ADX 6.73077
416 5FA8 SAM 6.8323
417 1XXR MAN 6.8323
418 1KEW NAD 6.88259
419 1KEW TYD 6.88259
420 5JAQ NAI 6.88259
421 5W7M SAH 6.88259
422 2VYN NAD 6.88259
423 2CDU ADP 6.88259
424 2ATJ BHO 6.88259
425 3BJE URA 6.88259
426 1SOW NAD 6.88259
427 2CDU FAD 6.88259
428 5Y8L HUI 6.88259
429 5Y8L NAD 6.88259
430 2XVE FAD 6.88259
431 2YPI PGA 6.88259
432 2XVF FAD 6.88259
433 2VHW NAI 6.88259
434 1R18 SAH 6.88259
435 4RDH AMP 6.94444
436 4RDI ATP 6.94444
437 5IN4 6CK 7.28745
438 1Y1P NMN AMP PO4 7.28745
439 5IN4 GDP 7.28745
440 5IN4 NAP 7.28745
441 4LHD GLY 7.28745
442 2OOR NAD 7.28745
443 3GGO ENO 7.28745
444 3GGO NAI 7.28745
445 1F8G NAD 7.28745
446 6D6Y SAH 7.28745
447 1WDK NAD 7.28745
448 4YCA NDP 7.28745
449 2Q0L NAP 7.28745
450 4YSX FAD 7.28745
451 2A92 NAI 7.28745
452 1WP4 NDP 7.28745
453 3G5S FAD 7.28745
454 2G5C NAD 7.28745
455 4AP3 NAP 7.28745
456 4AP3 FAD 7.28745
457 3L4S NAD 7.28745
458 1L7E NAI 7.28745
459 1NE7 16G 7.28745
460 3MQ2 SAH 7.33945
461 2PZM NAD 7.69231
462 2PZM UDP 7.69231
463 5ULP KB1 7.69231
464 1I9G SAM 7.69231
465 2CVQ NDP 7.69231
466 1NYT NAP 7.69231
467 5M67 NAD 7.69231
468 1E6E FAD 7.8125
469 1VM6 NAD 7.89474
470 4D79 ATP 7.97101
471 1SBR VIB 8
472 3GU3 SAH 8.09717
473 2JJQ SAH 8.09717
474 1LDN NAD 8.09717
475 3GWZ SAH 8.09717
476 1Y8Q ATP 8.09717
477 5EES NAP 8.09717
478 3GXO SAH 8.09717
479 1O8B ABF 8.09717
480 1VQW FAD 8.09717
481 1D1T NAD 8.09717
482 1XVB BHL 8.23529
483 2HMT NAI 8.33333
484 4II2 ATP 8.43373
485 2UYQ SAM 8.50202
486 3O7W SAM 8.50202
487 6AA8 NAD 8.50202
488 1I36 NAP 8.50202
489 1NVM NAD 8.50202
490 1U1I NAD 8.50202
491 3CMC NAD 8.50202
492 3FRH SAH 8.50202
493 1SAY PYR 8.50202
494 1RYI FAD 8.50202
495 2NU8 COA 8.50202
496 2JK0 ASP 8.50202
497 4PIV NDP 8.90688
498 1UWK NAD 8.90688
499 1UWK URO 8.90688
500 5ZI2 NAD 8.90688
501 5F8F SFG 8.90688
502 5ZI2 ADP 8.90688
503 2JHF NAD 8.90688
504 2C7G FAD 8.90688
505 1ZK7 FAD 8.90688
506 2C7G ODP 8.90688
507 2D2I NAP 8.94737
508 3JWH SAH 9.21659
509 4O1M NAD 9.31174
510 1D7O TCL 9.31174
511 1D7O NAD 9.31174
512 1RM0 D6P 9.31174
513 1RM0 NAI 9.31174
514 5CAE COA 9.31174
515 1LDM NAD 9.31174
516 4XZ3 COA 9.31174
517 3GUZ PAF 9.65909
518 6A4R ASP 9.7166
519 5JJR SAH 9.7166
520 1X14 NAD 9.7166
521 1LLU NAD 9.7166
522 3GDH SAH 10.1215
523 1R37 NAD 10.1215
524 3H9E NAD 10.1215
525 2EJU SAH 10.1215
526 3B20 NAD 10.3245
527 3B1J NAD 10.3245
528 3ABI NAD 10.5263
529 6ECU SAH 10.5263
530 1EJ0 SAM 10.5556
531 5W7K SAH 10.9312
532 1RJW ETF 10.9312
533 5ODQ 9SB 10.9312
534 5XLX SAH 10.9312
535 6ECW SAH 10.9312
536 6FP4 FAD 10.9312
537 2ZXI FAD 10.9312
538 6FP4 E1T 10.9312
539 4UP3 NDP 11.336
540 2PXX SAH 11.6279
541 2UYN 2KT 11.6279
542 3OIG NAD 11.7409
543 5T96 79J 11.7409
544 1CER NAD 11.7409
545 1BW9 NAD 12.1457
546 1E5Q NDP 12.1457
547 1C1X NAD 12.1457
548 1BXG NAD 12.1457
549 3VSE SAH 12.1457
550 1A5Z NAD 12.5506
551 4YMZ 13P 12.5506
552 5K4W NAI 12.9555
553 5K4W THR 12.9555
554 1MV8 NAD 12.9555
555 1MUU NAD 12.9555
556 4MOP 2H5 12.9555
557 2FR1 NDP 13.3603
558 2Q46 NAP 13.3603
559 5BJX NAD 13.3603
560 1LTH NAD 13.3603
561 5BJX UDP 13.3603
562 2HK9 ATR 13.3603
563 1H9A NAP 13.3603
564 1U3U NAD 13.3603
565 1U3U BNF 13.3603
566 2DFV NAD 13.7652
567 3WQQ NDP 13.7652
568 3WQQ IB3 13.7652
569 3O9Z AKG 13.7652
570 3O9Z NAD 13.7652
571 1E3I CXF 13.7652
572 5ERG SAM 14.17
573 2VVL FAD 14.17
574 3WV8 ATP 14.2202
575 3RGG AIR 14.4654
576 6A0S NDP 14.5749
577 6A0S HSE 14.5749
578 2VVM FAD 14.5749
579 2ZJ1 NAD 14.9798
580 2ZJ1 ARJ 14.9798
581 2PKA BEN 15
582 3A4V PYR 15.3846
583 3A4V NAD 15.3846
584 4IF4 BEF 15.3846
585 2DKN NAI 15.7895
586 1DRV A3D 16.1172
587 3GF4 UPG 16.1538
588 3GF4 FAD 16.1538
589 4KIB SAH 16.1943
590 4M73 SAH 16.1943
591 4M73 M72 16.1943
592 2C5A GDC 16.5992
593 2C5A NAD 16.5992
594 1ONI BEZ 16.6667
595 1Z45 NAD 17.004
596 1CT9 GLN 17.004
597 5Y1G NAD 17.8138
598 5Y1G AKB 17.8138
599 3H4V DVP 17.8138
600 3H4V NAP 17.8138
601 5LOG SAH 17.8138
602 5AOV NAP 17.8138
603 1KYQ NAD 18.2186
604 5L4S 6KX 19.0283
605 5L4S NAP 19.0283
606 5DF1 NAP 19.0283
607 5DF1 58X 19.0283
608 5X2N ALA 19.0283
609 3O26 NDP 19.4332
610 5L53 NAP 20.2429
611 3TKY SAH 20.2429
612 3GFB NAD 20.2429
613 4OHU 2TK 26.3158
614 4OHU NAD 26.3158
615 2GN4 NDP 26.7206
616 2GN4 UD1 26.7206
617 1EQ2 NAP 26.7206
618 2X6T NAP 27.5304
619 4J1Q NDP 28.7449
620 3RFV NAI 29.1498
621 3RFV 15L 29.1498
622 5I7S E9P 30.3644
623 5I7S NAD 30.3644
624 4D42 NAP 30.3644
625 4D42 W0I 30.3644
626 4FC7 COA 31.9838
627 4FC7 NAP 31.9838
628 3OJF NDP 31.9838
629 3OJF IMJ 31.9838
630 1N5D NDP 32.3887
631 1WMA AB3 32.3887
632 1WMA NDP 32.3887
633 5Z2L NDP 32.7935
634 3RJ5 NAD 32.7935
635 2WYV NAD 33.1984
636 1ZBQ NAD 33.6032
637 5O42 NAD 33.9416
638 5O42 BGC 33.9416
639 5O42 9JW 33.9416
640 1QG6 NAD 34.413
641 1QG6 TCL 34.413
642 5CG1 NAD BBN 34.413
643 1ZEM NAD 34.8178
644 1GZ6 NAI 34.8178
645 3VZS NAP 35.2227
646 3VZS CAA 35.2227
647 6CI9 NAP 35.6275
648 5OVL NAP 36.0324
649 1G0N NDP 36.0324
650 1G0N PHH 36.0324
651 1U7T TDT 36.0324
652 1U7T NAD 36.0324
653 2B4Q NAP 36.0324
654 5OVK NDP 36.0324
655 3O03 NAP 36.0324
656 1HDC CBO 36.0324
657 1PR9 NAP 36.0656
658 3D3W NAP 36.0656
659 3WXB NDP 36.4372
660 1A27 NAP 36.4372
661 2PD4 NAD 36.4372
662 2PD4 DCN 36.4372
663 3HB5 NAP 36.4372
664 5EJ2 NAD 36.8421
665 1E3W NAD 37.247
666 1E6W NAD 37.247
667 6F9Q NAD 37.247
668 2Q2V NAD 37.247
669 1UZN NAP 37.247
670 2WSB NAD 37.6518
671 5OJI NAP 37.6518
672 5OJI ISN 37.6518
673 1OAA OAA 37.6518
674 1XKQ NDP 38.0567
675 1H5Q NAP 38.0567
676 1XSE NDP 38.0567
677 2AE2 NAP 38.4615
678 2AE2 PTO 38.4615
679 1W8D NAP 38.4615
680 1W73 NAP 38.4615
681 4NBT NAD 38.75
682 1Z6Z NAP 38.8664
683 4J7U NAP 38.8664
684 4J7U YTZ 38.8664
685 1ZK4 NAP 39.2713
686 1ZK4 AC0 39.2713
687 2DTX BMA 39.2713
688 1W6U NAP 39.2713
689 3CH6 311 39.2713
690 3CH6 NAP 39.2713
691 3AY6 BGC 39.6761
692 3AY6 NAI 39.6761
693 1AE1 NAP 39.6761
694 1XHL NDP 39.6761
695 1XHL TNE 39.6761
696 4K26 SFF 40.081
697 4K26 NDP 40.081
698 3AI3 SOL 40.081
699 3ZV6 4HB 40.4858
700 3ZV6 NAD 40.4858
701 1NFQ NAI 40.4858
702 1YXM ADE 40.8907
703 4ZA2 NAD 40.8907
704 1O5I NAD 40.8907
705 1FK8 NAD 40.8907
706 3NUG NAD 41.2955
707 2GDZ NAD 42.1053
708 1GEE NAD 42.5101
709 3OID NDP 42.5101
710 4URF NAD 43.3198
711 2WD7 NAP 43.3198
712 2VZ0 D64 43.3198
713 2VZ0 NAP 43.3198
714 2BD0 NAP 43.4426
715 2CFC NAD 43.7247
716 1X1T NAD 43.7247
717 3BMO NAP 43.7247
718 4CM8 NAP 43.7247
719 4CMI NAP 43.7247
720 4CM9 NAP 43.7247
721 3BMQ NAP 43.7247
722 3BMN NAP 43.7247
723 4CLR NAP 43.7247
724 3JQ9 NAP 43.7247
725 3JQF NAP 43.7247
726 4CM4 NAP 43.7247
727 3JQA NAP 43.7247
728 3JQG NAP 43.7247
729 3JQ7 NAP 43.7247
730 4CLO NAP 43.7247
731 4CME NAP 43.7247
732 3JQB NAP 43.7247
733 3JQ8 NAP 43.7247
734 4CME KTZ 43.7247
735 5B4T 3HR 44.1296
736 5B4T NAD 44.1296
737 3V1U NAD 44.1296
738 3AFN NAP 44.5344
739 3ICC NAP 44.9393
740 4CQM NAP 45.082
741 4QED NAP 45.3441
742 3QWI NAP 45.3441
743 3QWI CUE 45.3441
744 1GEG NAD 45.749
745 2ZAT NAP 46.5587
746 3SJ7 NDP 46.5587
747 1VL8 NAP 47.3684
748 2RH4 EMO 48.1781
749 1Q7B NAP 49.1803
Pocket No.: 2; Query (leader) PDB : 2JAH; Ligand: NDP; Similar sites found with APoc: 88
This union binding pocket(no: 2) in the query (biounit: 2jah.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 5LUB 3Y7 0.809717
3 4J4H NAI 1.61943
4 2B5W NAP 1.61943
5 4J4H 1J1 1.61943
6 5FJN BE2 2.02429
7 5FJN FAD 2.02429
8 6F5W KG1 2.42915
9 1HKU NAD 2.42915
10 3O5N BR0 2.67857
11 4UP4 NAG 2.83401
12 4UP4 NDG 2.83401
13 1FDJ 13P 2.83401
14 1YQZ FAD 2.83401
15 4D04 NAP 2.83401
16 4D04 FAD 2.83401
17 3KO0 TFP 2.9703
18 1VKF CIT 3.19149
19 1JG0 UMP 3.23887
20 1PL6 572 3.23887
21 2F7A BEZ 3.44828
22 5JCA NDP 3.64372
23 1QO8 FAD 3.64372
24 2DKH FAD 3.64372
25 2DKH 3HB 3.64372
26 5BVA FAD 3.64372
27 1PN0 FAD 3.64372
28 2OG2 MLI 3.64372
29 4JDR FAD 4.04858
30 2BRY FAD 4.04858
31 1C3X 8IG 4.04858
32 2Y6Q FAD 4.04858
33 2Y6Q I7T 4.04858
34 4JNJ BTN 4.34783
35 2TOH HBI 4.45344
36 1VMK GUN 4.45344
37 3UCL FAD 4.45344
38 3UCL CYH 4.45344
39 1PS9 FAD 4.45344
40 5ZA2 NXL 4.8583
41 1H5S TMP 4.8583
42 1Q9I FAD 4.8583
43 1Q9I TEO 4.8583
44 2DTJ THR 5.05618
45 5Y77 FAD 5.26316
46 2Q7V FAD 5.26316
47 2PHX MAN MAN MAN MAN 5.26316
48 2QA1 FAD 5.26316
49 3FGZ BEF 5.46875
50 4C3Y ANB 5.66802
51 3AD8 NAD 5.66802
52 1VI2 NAD 5.66802
53 2NPX NAD 5.66802
54 3BOF HCS 6.07287
55 1GR0 NAD 6.47773
56 3LZW FAD 6.47773
57 3LZW NAP 6.47773
58 3SAO DBH 6.875
59 5E5U MLI 6.88259
60 2VTD LKM 6.88259
61 3OND NAD 6.88259
62 3OND ADN 6.88259
63 3FXU TSU 7.21311
64 1YBH P22 7.28745
65 5KOX RFP 7.28745
66 3L4S 3PG 7.28745
67 5KOX FAD 7.28745
68 4ZNO SUC 7.69231
69 3NYC FAD 7.69231
70 3NYC IAR 7.69231
71 5M67 ADE 7.69231
72 5M67 3D1 7.69231
73 5JY6 NAD 7.69231
74 2GV8 FAD 8.09717
75 2GVC FAD 8.09717
76 1RYI GOA 8.50202
77 4GGZ BTN 8.69565
78 4B2D SER 8.90688
79 3NJ4 AFX 8.90688
80 3LAD FAD 8.90688
81 3NJ4 NAD 8.90688
82 2J5V RGP 8.90688
83 1VBO MAN 9.39597
84 2UYP PPI 11.6279
85 4KP7 1UQ 11.7409
86 4KP7 NAP 11.7409
87 5YRL GLC GLC 13.3803
88 5YRJ BGC GLC 13.3803
Pocket No.: 3; Query (leader) PDB : 2JAH; Ligand: NDP; Similar sites found with APoc: 20
This union binding pocket(no: 3) in the query (biounit: 2jah.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4DVE BTN 2.52525
2 1NAA ABL 2.83401
3 2X7I CIT 2.83401
4 5NNS AKR 3.11111
5 5XHA FRU 3.64372
6 1RQH PYR 3.64372
7 3U1T MLI 4.04858
8 2P3V SRT 4.04858
9 2C5S AMP 4.45344
10 1LOJ U 4.5977
11 1HE1 AF3 5.18518
12 1A8S PPI 5.66802
13 4C3Y FAD 5.66802
14 1OFS SUC 5.88235
15 2B1N LYS ALA SER VAL GLY 7.69231
16 2D3N GLC GLC GLC 9.7166
17 1KNM LAT 11.5385
18 1A8U BEZ 15.7895
19 6CI9 F3V 35.6275
20 4CM9 YGL 43.7247
Pocket No.: 4; Query (leader) PDB : 2JAH; Ligand: NDP; Similar sites found with APoc: 16
This union binding pocket(no: 4) in the query (biounit: 2jah.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 4BI7 PGA 1.21457
2 5TH5 MET 2.42915
3 4NFE BEN 2.53165
4 1LTI GAL 2.60417
5 3G3R ANP 3.23887
6 6GAR FAD 3.23887
7 5HWK BEZ 3.33333
8 1GPM AMP 3.64372
9 3V2U GLA 3.64372
10 5WHU SIA GAL 4.04858
11 4U8P FDA 6.88259
12 2EB5 OXL 7.28745
13 4YSX MLI 7.28745
14 5I39 FAD 7.69231
15 1VBO MAN MAN MAN 9.39597
16 2CFC KPC 43.7247
APoc FAQ
Feedback