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Receptor
PDB id Resolution Class Description Source Keywords
2CVQ 2.08 Å EC: 1.1.1.37 CRYSTAL STRUCTURE OF NAD(H)-DEPENDENT MALATE DEHYDROGENASE C WITH NADPH THERMUS THERMOPHILUS NAD-DEPENDENT-MDH NADP+ COMPLEX OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF NAD-DEPENDENT MALATE DEHYDROGE COMPLEXED WITH NADP(H) BIOCHEM.BIOPHYS.RES.COMMUN. V. 334 613 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:334;
B:1334;
Valid;
Valid;
none;
none;
Ki = 2.6 mM
745.421 C21 H30 N7 O17 P3 c1nc(...
TRS A:4617;
A:4619;
B:4621;
B:4623;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CVQ 2.08 Å EC: 1.1.1.37 CRYSTAL STRUCTURE OF NAD(H)-DEPENDENT MALATE DEHYDROGENASE C WITH NADPH THERMUS THERMOPHILUS NAD-DEPENDENT-MDH NADP+ COMPLEX OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF NAD-DEPENDENT MALATE DEHYDROGE COMPLEXED WITH NADP(H) BIOCHEM.BIOPHYS.RES.COMMUN. V. 334 613 2005
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1BDM - NAX C21 H31 N7 O15 P2 c1nc(c2c(n....
2 1Y7T - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 1WZE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1WZI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 2CVQ Ki = 2.6 mM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 1BMD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1B8V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1B8U - OAA C4 H3 O5 C(C(=O)C(=....
3 1BDM - NAX C21 H31 N7 O15 P2 c1nc(c2c(n....
4 1Y7T - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 1WZE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1WZI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 2CVQ Ki = 2.6 mM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5NUF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1B8V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1B8U - OAA C4 H3 O5 C(C(=O)C(=....
4 5MDH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5A1T - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
6 4UUN - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
7 1BDM - NAX C21 H31 N7 O15 P2 c1nc(c2c(n....
8 1Y7T - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 1WZE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1WZI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 2CVQ Ki = 2.6 mM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
12 1BMD - NAD C21 H27 N7 O14 P2 c1cc(c[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 : 2CVQ; Ligand: NDP; Similar sites found with APoc: 965
This union binding pocket(no: 1) in the query (biounit: 2cvq.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1FWV SGA MAG FUC None
2 5YRF GLC GLC None
3 3G5S FAD 0.917431
4 1OMO NAD 0.931677
5 5N53 8NB 1.02564
6 2GZ3 NAP 1.22324
7 6BWL NAD 1.22324
8 6C4M NAP 1.22324
9 4MO2 FAD 1.22324
10 4MO2 FDA 1.22324
11 2RAB FAD 1.22324
12 2RAB NAD 1.22324
13 4RVU NDP 1.22324
14 5TQZ GLC 1.33333
15 4RDH AMP 1.38889
16 4RDI ATP 1.38889
17 5T9F TYR 1.47601
18 5T9F NAP 1.47601
19 5T9E NAP 1.47601
20 1C1X NAD 1.52905
21 1BXG NAD 1.52905
22 4MP8 NAD 1.52905
23 4MP8 MLI 1.52905
24 1BW9 NAD 1.52905
25 4RSL FAD 1.52905
26 6EL3 NAP 1.52905
27 4IDC 1XX 1.52905
28 4IDC NDP 1.52905
29 4TM3 FAD 1.52905
30 4DFU QUE 1.5528
31 4NBU NAI 1.6
32 2YY7 NAD 1.60256
33 2NU5 NAG 1.63934
34 2GUD MAN 1.63934
35 2GUD BMA 1.63934
36 2GUE NAG 1.63934
37 2HYQ MAN MAN 1.63934
38 2HYR BGC GLC 1.63934
39 2GUC MAN 1.63934
40 2NUO BGC 1.63934
41 4D79 ATP 1.81159
42 1RM0 D6P 1.83486
43 1RM0 NAI 1.83486
44 1UP7 NAD 1.83486
45 2QRK AMP 1.83486
46 5Z20 NAI 1.83486
47 1PL6 NAD 1.83486
48 1E3I CXF 1.83486
49 1PL6 572 1.83486
50 1RJW ETF 1.83486
51 2CDC XYP 1.83486
52 2CDC XYS 1.83486
53 1V59 NAD 1.83486
54 4R5M NAP 1.83486
55 1ORR NAD 1.83486
56 2CDC NAP 1.83486
57 1V59 FAD 1.83486
58 4R5M 4NO 1.83486
59 2DM6 IMN 1.83486
60 5JCM NAD 1.83486
61 5JCM ISD 1.83486
62 5JCM FAD 1.83486
63 1COY AND 1.83486
64 1COY FAD 1.83486
65 2DM6 NAP 1.83486
66 5HSA FAS 1.83486
67 1GET FAD 1.83486
68 1GET NAP 1.83486
69 1WVG APR 1.83486
70 5MQ6 NDP 1.83486
71 4NTC FAD 1.83486
72 4EVQ PHB 1.83486
73 1KNR FAD 1.83486
74 1NYT NAP 1.84502
75 5UAV TFB 1.86335
76 5UAV NDP 1.86335
77 3CTY FAD 1.88088
78 1I36 NAP 1.89394
79 2PV7 NAD 2.01342
80 4YAC NAI 2.0202
81 2BD0 NAP 2.04918
82 2HMT NAI 2.08333
83 1G0N NDP 2.12014
84 1G0N PHH 2.12014
85 2DFV NAD 2.14067
86 4RQU NAD 2.14067
87 3TWO NDP 2.14067
88 6F3N ADN 2.14067
89 6F3N NAD 2.14067
90 1X7D ORN 2.14067
91 1X7D NAD 2.14067
92 1GY8 NAD 2.14067
93 6F3M NAD 2.14067
94 1P31 EPU 2.14067
95 1Q0H FOM 2.14067
96 1Q0H NDP 2.14067
97 2C7G FAD 2.14067
98 2C7G ODP 2.14067
99 4J1Q NDP 2.14067
100 6A3J SOE 2.14067
101 4KOA NDP 2.14067
102 2NPX NAD 2.14067
103 5O5Y GLC 2.14067
104 2AQJ FAD 2.14067
105 2AQJ TRP 2.14067
106 1X87 NAD 2.14067
107 1CZA G6P 2.14067
108 1RP0 AHZ 2.14067
109 4Z24 FAD 2.14067
110 1QO8 FAD 2.14067
111 2HQM FAD 2.14067
112 3NYC FAD 2.14067
113 3NYC IAR 2.14067
114 6A3J NAI 2.14067
115 6AIN FAD 2.14067
116 5VN0 FAD 2.14067
117 2GLX NDP 2.14067
118 4D7E FAD 2.14067
119 5VN0 NAI 2.14067
120 3GF4 UPG 2.14067
121 3GF4 FAD 2.14067
122 1TI7 NAP 2.14067
123 5NMX NAP 2.14067
124 5DP2 NAP 2.14067
125 2Q7V FAD 2.15385
126 4USS GSH 2.15385
127 2CUL FAD 2.15517
128 5O42 9JW 2.18978
129 5O42 BGC 2.18978
130 5O42 NAD 2.18978
131 5O4J SAH 2.18978
132 5O4J PJL 2.18978
133 5O4J 9KH 2.18978
134 3OA2 NAD 2.20126
135 4ITU 1HS 2.23048
136 4ITU NAI 2.23048
137 1V1A KDG 2.26537
138 2DTX BMA 2.27273
139 1W8D NAP 2.31788
140 1W73 NAP 2.31788
141 3AFN NAP 2.32558
142 3Q3C NAD 2.34114
143 2EWM NAD 2.40964
144 3B1F NAD 2.41379
145 4YAG NAI 2.42215
146 2VHW NAI 2.44648
147 4GKV NAD 2.44648
148 1D1T NAD 2.44648
149 5Z21 NAI 2.44648
150 1YB5 NAP 2.44648
151 1SAY PYR 2.44648
152 1J49 NAD 2.44648
153 5TOW NAI 2.44648
154 5TOW ADN 2.44648
155 1VKO NAD 2.44648
156 1P0F NAP 2.44648
157 3WMX NAD 2.44648
158 1YKJ FAD 2.44648
159 1YKJ PHB 2.44648
160 1EK6 UPG 2.44648
161 1EK6 NAI 2.44648
162 3CGD FAD 2.44648
163 5YU3 PRO 2.44648
164 5YU3 NAD 2.44648
165 3CGD COA 2.44648
166 3SQP FAD 2.44648
167 1HDG NAD 2.44648
168 3CGD NAD 2.44648
169 4B7X NAP 2.44648
170 4JDR FAD 2.44648
171 5EZ7 FAD 2.44648
172 3CGB FAD 2.44648
173 2XT3 ADP 2.44648
174 3X0V FAD 2.44648
175 2XVE FAD 2.44648
176 3S5W FAD 2.44648
177 5N0J FAD 2.44648
178 2XVF FAD 2.44648
179 3S5W NAP 2.44648
180 5G4L NDP 2.44755
181 1HDR NAD 2.45902
182 3ZV6 NAD 2.4911
183 3ZV6 4HB 2.4911
184 2BGM NAJ 2.51799
185 3NGL NAP 2.53623
186 3WBF NAP 2.62295
187 3WBF API 2.62295
188 5JE8 NAD 2.64901
189 2C49 ADN 2.64901
190 5TTJ FAD 2.65306
191 3H8V ATP 2.73973
192 5O9F NAD 2.75229
193 5O9F 9ON 2.75229
194 2O4C NAD 2.75229
195 1GQ2 NAP 2.75229
196 2B5W NAP 2.75229
197 1OBB NAD 2.75229
198 2GN4 NDP 2.75229
199 2GN4 UD1 2.75229
200 2DBZ NAP 2.75229
201 5AOV NAP 2.75229
202 1Z45 NAD 2.75229
203 1PJS NAD 2.75229
204 2Q1W NAD 2.75229
205 6BII NAP 2.75229
206 1UWK NAD 2.75229
207 1UWK URO 2.75229
208 5Y77 FAD 2.75229
209 1N9G NAP 2.75229
210 2QA1 FAD 2.75229
211 5XWV NDP 2.75229
212 4WAS NAP 2.75229
213 1RKX NAD 2.75229
214 4MOP 2H5 2.75229
215 5XWV 8H6 2.75229
216 2Z3Y F2N 2.75229
217 1I8T FAD 2.75229
218 5TS5 FAD 2.75229
219 3AYI HCI 2.75229
220 3AYI FAD 2.75229
221 1TB4 PEJ 2.75229
222 4DSG FAD 2.75229
223 4DSG UDP 2.75229
224 4WAS COO 2.75229
225 3KLJ FAD 2.75229
226 5G3U FDA 2.75229
227 5G3U ITW 2.75229
228 1XHL NDP 2.75229
229 4XDY NAI 2.75229
230 2BRY FAD 2.75229
231 2Z6J TUI 2.75229
232 3RJ5 NAD 2.75591
233 4BGB ADP 2.76923
234 3H4V DVP 2.77778
235 3H4V NAP 2.77778
236 3ORF NAD 2.78884
237 2VT3 ATP 2.7907
238 3I54 CMP 2.81124
239 2F1K NAP 2.86738
240 1XG5 NAP 2.86738
241 2RH4 EMO 2.88809
242 1JXN MFU 2.89256
243 4D3F NAP 2.90323
244 4OM8 NAD 2.91262
245 4GLL NAD 2.96736
246 3AY6 NAI 2.97398
247 3AY6 BGC 2.97398
248 1H2B NAJ 3.0581
249 1P77 ATR 3.0581
250 1KEV NDP 3.0581
251 4W6Z 8ID 3.0581
252 5H81 NAP 3.0581
253 4D04 FAD 3.0581
254 4D04 NAP 3.0581
255 1U8X NAD 3.0581
256 5IN4 GDP 3.0581
257 5IN4 6CK 3.0581
258 5IN4 NAP 3.0581
259 2V6G NAP 3.0581
260 4U7W NDP 3.0581
261 3QVP FAD 3.0581
262 3QJ4 FAD 3.0581
263 1REO FAD 3.0581
264 5I39 FAD 3.0581
265 2RGJ FAD 3.0581
266 1ZGA SAH 3.0581
267 1C0I BE2 3.0581
268 1C0I FAD 3.0581
269 5TUF TDC 3.0581
270 2WET FAD 3.0581
271 4BJZ FAD 3.0581
272 4BJZ P3A 3.0581
273 6FP4 FAD 3.0581
274 6FP4 E1T 3.0581
275 5TUF FAD 3.0581
276 6C4T NA7 3.0581
277 1VL8 NAP 3.0581
278 3HDY FAD 3.0581
279 5A07 GDP 3.0581
280 3HDY FDA 3.0581
281 3HDY GDU 3.0581
282 1ZH8 NAP 3.0581
283 4DPL NAP 3.06407
284 1X1T NAD 3.07692
285 5OCM NAP 3.09278
286 5FEU NAP 3.09278
287 4P6G 2FZ 3.09735
288 2G30 ALA ALA PHE 3.10078
289 4NBW NAD 3.11284
290 4J36 1HR 3.13253
291 4J36 FAD 3.13253
292 5JCA FAD 3.16901
293 5JCA NDP 3.16901
294 2F5X ASP 3.20513
295 3HAD NAD 3.24675
296 5EJ2 NAD 3.24675
297 4FC7 NAP 3.2491
298 4FC7 COA 3.2491
299 3QWI CUE 3.33333
300 4NBT NAD 3.33333
301 3QWI NAP 3.33333
302 2HW1 FRU 3.3557
303 3NJ4 NAD 3.36391
304 5M67 NAD 3.36391
305 5M67 ADE 3.36391
306 3NJ4 AFX 3.36391
307 4E5N NAD 3.36391
308 5M67 3D1 3.36391
309 1OC2 NAD 3.36391
310 1OC2 TDX 3.36391
311 1SC6 NAD 3.36391
312 5FI3 NAP 3.36391
313 2FR1 NDP 3.36391
314 2WPF WPF 3.36391
315 2WPF FAD 3.36391
316 4Y1B NAP 3.36391
317 3B20 NAD 3.36391
318 3B1J NAD 3.36391
319 2D2I NAP 3.36391
320 1BZL GCG 3.36391
321 1E1M NAP 3.36391
322 1E1M FAD 3.36391
323 1BZL FAD 3.36391
324 1RM4 NDP 3.36391
325 1N7G NDP 3.36391
326 5YAP NAI 3.36391
327 1ZK7 FAD 3.36391
328 1N7G GDR 3.36391
329 5YB7 ORN 3.36391
330 3KO8 NAD 3.36391
331 5YB7 FAD 3.36391
332 1FEC FAD 3.36391
333 1WP4 NDP 3.36391
334 1GPE FAD 3.36391
335 1DJN ADP 3.36391
336 2PK3 A2R 3.36391
337 5GUD 2IT 3.36391
338 4JJF FE9 3.36391
339 5FJN FAD 3.36391
340 5FJN BE2 3.36391
341 1H9A NAP 3.36391
342 4B63 ORN 3.36391
343 4B63 FAD 3.36391
344 4B63 NAP 3.36391
345 3WGT QSC 3.36391
346 3WGT FAD 3.36391
347 4PVD NDP 3.36391
348 1Q19 SSC 3.36391
349 5GUD NDP 3.36391
350 1RYD NDP 3.36391
351 3OND ADN 3.36391
352 3OND NAD 3.36391
353 1H6C NDP 3.36391
354 2CVZ NDP 3.36391
355 5YAP 8S0 3.36391
356 5GUD CIT 3.36391
357 4TXI FAD 3.36391
358 4ZCC NAI 3.36391
359 4ZCC FAD 3.36391
360 5NM7 GLY 3.38346
361 4YCA NDP 3.40136
362 1C3M MAN MAN 3.40136
363 4KWI NAP 3.42205
364 4KWI 1TJ 3.42205
365 5XH2 NPO 3.43511
366 5L4S 6KX 3.45912
367 5L4S NAP 3.45912
368 5FFF 5XC 3.50195
369 1FK8 NAD 3.50195
370 5FFF NAP 3.50195
371 2PHX MAN MAN MAN MAN 3.57143
372 3SJU NDP 3.58423
373 5GWT SIN 3.59712
374 5GWT NAD 3.59712
375 5X9D 80F 3.61842
376 1CER NAD 3.62538
377 6AA8 NAD 3.64238
378 1KYQ NAD 3.64964
379 1VJT NAD 3.66972
380 1MUU NAD 3.66972
381 4XQC 13D 3.66972
382 1MV8 NAD 3.66972
383 4OOE FOM 3.66972
384 4OOE NDP 3.66972
385 4XYB NDP 3.66972
386 3ETG GTP 3.66972
387 3ETG GLU 3.66972
388 1YQD NAP 3.66972
389 2C5A GDC 3.66972
390 2C5A NAD 3.66972
391 4JBI NDP 3.66972
392 3T31 DCQ 3.66972
393 3T31 FAD 3.66972
394 2ZXI FAD 3.66972
395 2DKH FAD 3.66972
396 4EIP FAD 3.66972
397 2E5V FAD 3.66972
398 2DKH 3HB 3.66972
399 3ZNN FAD 3.66972
400 3ZNN 4WL 3.66972
401 4NTD FAD 3.66972
402 3MMH SME 3.66972
403 3HB5 NAP 3.66972
404 5HXI FAD 3.66972
405 2Q1S NAI 3.66972
406 2B9W FAD 3.66972
407 3ETG NDP 3.66972
408 4XQC NAD 3.66972
409 3GMB FAD 3.66972
410 5THQ NDP 3.67647
411 3B1Q NOS 3.68098
412 5EIN NAP 3.7037
413 5BW4 SAM 3.74532
414 4CJX NAP 3.76176
415 1EX7 5GP 3.76344
416 1H5Q NAP 3.77358
417 5TC4 NAD 3.79747
418 2IXB A2G 3.82883
419 2IXB NAD 3.82883
420 1GEE NAD 3.83142
421 2AE2 PTO 3.84615
422 2AE2 NAP 3.84615
423 2HAW 2PN 3.8835
424 3BAZ NAP 3.9039
425 1GEG NAD 3.90625
426 1HKU NAD 3.91061
427 1J5P NAD 3.95257
428 4B4U NAP 3.9604
429 1BDB NAD 3.97112
430 3WV8 ATP 3.97554
431 1KOL NAD 3.97554
432 5ZI9 FLC 3.97554
433 1KJ8 GAR 3.97554
434 1LVL NAD 3.97554
435 2C29 NAP 3.97554
436 3LZW FAD 3.97554
437 3LZW NAP 3.97554
438 2GSD NAD 3.97554
439 1YKF NAP 3.97554
440 2NAD NAD 3.97554
441 2C29 DQH 3.97554
442 2VVM FAD 3.97554
443 2VVL FAD 3.97554
444 5GSN NAP 3.97554
445 5GSN FAD 3.97554
446 6GAS FAD 3.97554
447 5GSN MMZ 3.97554
448 3L4S NAD 3.97554
449 5EOW FAD 3.97554
450 1VQW FAD 3.97554
451 3L4S 3PG 3.97554
452 2GVC FAD 3.97554
453 2GV8 NDP 3.97554
454 2GV8 FAD 3.97554
455 3ITJ CIT 3.97554
456 1LVL FAD 3.97554
457 1M2W NAD 3.97554
458 1LJ8 NAD 3.97554
459 4L80 OXL 3.97554
460 3FPZ AHZ 3.98773
461 5A96 GTP 4.01606
462 5T2U NAP 4.03226
463 5Z2L NDP 4.08163
464 4UP3 NDP 4.14013
465 4OSP NAP 4.18251
466 1ZEM NAD 4.19847
467 5AYV NAP 4.20712
468 5AYV KPL 4.20712
469 4CQM NAP 4.21456
470 1OAA OAA 4.2471
471 6CI9 NAP 4.2471
472 4Y9D NAI 4.2623
473 2DT5 NAD 4.2654
474 4BVA NDP 4.28135
475 2HK9 ATR 4.28135
476 3ABI NAD 4.28135
477 1LLU NAD 4.28135
478 6F9Q NAD 4.28135
479 2GCG NDP 4.28135
480 2IZ1 ATR 4.28135
481 3SSO SAH 4.28135
482 3WQQ IB3 4.28135
483 3WQQ NDP 4.28135
484 4KP7 NAP 4.28135
485 2HK9 NAP 4.28135
486 1J0X NAD 4.28135
487 4KP7 1UQ 4.28135
488 6C4N NAP 4.28135
489 1GAD NAD 4.28135
490 4FWE FAD 4.28135
491 1XHC FAD 4.28135
492 4BVA T3 4.28135
493 5KMS NAD 4.28135
494 2IID PHE 4.28135
495 2IID FAD 4.28135
496 4REP FAD 4.28135
497 1JA9 NDP 4.28135
498 4EDF UPG 4.28135
499 1Q1R FAD 4.28135
500 3KC1 2T6 4.28135
501 3FKQ ATP 4.28135
502 5EB4 FAD 4.28135
503 5MBX FAD 4.28135
504 5MBX SP5 4.28135
505 6F97 FAD 4.28135
506 5K0A FAD 4.28135
507 2DKN NAI 4.31373
508 1MXH DHF 4.34783
509 1MXH NAP 4.34783
510 1E7S NAP 4.36137
511 4EMI NAD 4.39024
512 1AE1 NAP 4.3956
513 6HKE LMR 4.40252
514 6HKE MLT 4.40252
515 1UJ5 5RP 4.40529
516 3GD8 GOL 4.4843
517 1NE7 AGP 4.49827
518 5Z2F NAP 4.5283
519 2OOR NAD 4.58716
520 1CDO NAD 4.58716
521 2NU8 COA 4.58716
522 5BJX UDP 4.58716
523 5BJX NAD 4.58716
524 1F8G NAD 4.58716
525 5U8U FAD 4.58716
526 1WPQ NAD 4.58716
527 4IV9 FAD 4.58716
528 2YG3 FAD 4.58716
529 5KOX FAD 4.58716
530 5KOX RFP 4.58716
531 1YQZ FAD 4.58716
532 4PIV NDP 4.58716
533 1PS9 FAD 4.58716
534 1WPQ 13P 4.58716
535 3LAD FAD 4.58716
536 4JNA FAD 4.58716
537 1NM5 NAD 4.58716
538 4MIG G3F 4.58716
539 5ZMY TAR 4.58716
540 1NY5 ADP 4.58716
541 5UAO FAD 4.58716
542 5OVK NDP 4.6875
543 3ICC NAP 4.70588
544 2QZZ EMF 4.71698
545 2WSB NAD 4.72441
546 4FN4 NAD 4.72441
547 1Z6K OAA 4.77816
548 1G8S MET 4.78261
549 4R98 GNH 4.79705
550 5NDB 8TW 4.8
551 4ZRN UPG 4.80769
552 4ZRN NAD 4.80769
553 1LUA NAP 4.87805
554 1U1I NAD 4.89297
555 3KB6 NAD 4.89297
556 5J5Z FAD 4.89297
557 5TWB FAD 4.89297
558 5DF1 NAP 4.89297
559 5DF1 58X 4.89297
560 5MLR GRQ 4.89297
561 5MLR NAP 4.89297
562 5MIT NAP 4.89297
563 5MIT FAD 4.89297
564 2ZB4 5OP 4.89297
565 2ZB4 NAP 4.89297
566 6GAR FAD 4.89297
567 4K5S FAD 4.89297
568 4K5S PM0 4.89297
569 3RNM FAD 4.89297
570 3IHG FAD 4.89297
571 3UCL NAP 4.89297
572 3UCL CYH 4.89297
573 3UCL FAD 4.89297
574 5MSO NAP 4.89297
575 1PGP 6PG 4.89297
576 5OD2 5ID 4.89297
577 5W3K NDP 4.89297
578 3AXB PRO 4.91071
579 3AXB FAD 4.91071
580 1EDO NAP 4.91803
581 4TQG NDP 4.95356
582 1EJ0 SAM 5
583 5YEC ATP 5.04202
584 5U5G NAP 5.08475
585 4O0L NDP 5.09091
586 5CAE SIN 5.11182
587 5CAE COA 5.11182
588 3O9Z NAD 5.12821
589 3O9Z AKG 5.12821
590 2Q46 NAP 5.13834
591 1MO9 KPC 5.16252
592 1MO9 FAD 5.16252
593 1GR0 NAD 5.19878
594 4XB2 NDP 5.19878
595 1UDB NAD 5.19878
596 1UDB UFG 5.19878
597 5Z75 NAD 5.19878
598 4XB2 HSE 5.19878
599 1O0S NAI 5.19878
600 1Y1P NMN AMP PO4 5.19878
601 1WDK NAD 5.19878
602 1PN0 FAD 5.19878
603 1PN0 IPH 5.19878
604 1D4D FAD 5.19878
605 1MJT NAD 5.19878
606 4X9M FAD 5.19878
607 3G89 SAM 5.19878
608 2GDZ NAD 5.24345
609 1VM6 NAD 5.26316
610 3NUG NAD 5.26316
611 1EBF NAD 5.30726
612 5J60 FAD 5.3125
613 2AG8 NAP 5.32319
614 5GT9 NAP 5.32319
615 5OOH NAP 5.33981
616 5OOH 9ZZ 5.33981
617 3A4V PYR 5.36278
618 3A4V NAD 5.36278
619 5OJL TXP 5.36913
620 2WG9 OCA 5.38462
621 1E6E FAD 5.46875
622 3O03 NAP 5.49828
623 6ER9 FAD 5.50459
624 6ER9 NAP 5.50459
625 4R1S NAP 5.50459
626 2ZB3 NDP 5.50459
627 2JAP NDP 5.50459
628 3DXY SAM 5.50459
629 5X68 FAD 5.50459
630 5XVH NAP 5.55556
631 1ZK4 NAP 5.57769
632 1ZK4 AC0 5.57769
633 5N2I NAP 5.60345
634 3RFV NAI 5.61798
635 3RFV 15L 5.61798
636 1O94 ADP 5.625
637 4XZ3 COA 5.65217
638 2AG5 NAD 5.69106
639 4HXY NDP 5.70776
640 1U7T TDT 5.74713
641 1E3W NAD 5.74713
642 1U7T NAD 5.74713
643 1E6W NAD 5.76923
644 6DNT NAD 5.8104
645 4L8V NAP 5.8104
646 2X6T NAP 5.8104
647 2J5V PCA 5.8104
648 2VYN NAD 5.8104
649 3AB1 FAD 5.8104
650 3UOY NAP 5.8104
651 3UOY FAD 5.8104
652 1DSS NAD 5.8104
653 2Y6Q I7T 5.8104
654 3LXD FAD 5.8104
655 2Y6Q FAD 5.8104
656 3BMN NAP 5.90278
657 4CM9 NAP 5.90278
658 5K6A NAP 5.90278
659 4CM8 NAP 5.90278
660 5JDI NAP 5.90278
661 4CMI NAP 5.90278
662 5JDC NAP 5.90278
663 5JCJ NAP 5.90278
664 4CLR NAP 5.90278
665 3JQF NAP 5.90278
666 3BMO NAP 5.90278
667 3BMQ NAP 5.90278
668 4CM4 NAP 5.90278
669 3JQA NAP 5.90278
670 4CME NAP 5.90278
671 3JQG NAP 5.90278
672 3JQ9 NAP 5.90278
673 3JQ7 NAP 5.90278
674 4CLO NAP 5.90278
675 3JQ8 NAP 5.90278
676 3JQB NAP 5.90278
677 2DUR MAN MAN 5.92885
678 2DC1 NAD 5.9322
679 1ZQ9 SAM 5.96491
680 4GN8 ASO 6.02007
681 3ICT ADP 6.11621
682 3ICS ADP 6.11621
683 5Y1G NAD 6.11621
684 5Y1G AKB 6.11621
685 5GZ6 7C3 6.11621
686 5GZ6 NDP 6.11621
687 1ZBQ NAD 6.11621
688 1GZ6 NAI 6.11621
689 2HIM ASN 6.11621
690 5BRT FAD 6.11621
691 5BRT CH9 6.11621
692 5GWE GWM 6.11621
693 2HIM ASP 6.11621
694 1E5Q NDP 6.11621
695 1U1J MET 6.11621
696 3DAG FEG 6.11621
697 3ICR FAD 6.11621
698 3ICT FAD 6.11621
699 3ICS FAD 6.11621
700 1EQ2 NAP 6.12903
701 1JAY NAP 6.13208
702 5KZD RCJ 6.14334
703 4RF2 NAP 6.25
704 2JL1 NAP 6.27178
705 1R37 NAD 6.34006
706 2VZ0 D64 6.34328
707 2VZ0 NAP 6.34328
708 2WD7 NAP 6.34328
709 3GGO ENO 6.36943
710 3GGO NAI 6.36943
711 1IUP ALQ 6.38298
712 4CNK FAD 6.39386
713 1DLJ NAI 6.42202
714 1X14 NAD 6.42202
715 3LU1 NAD 6.42202
716 1DLJ UGA 6.42202
717 4M52 FAD 6.42202
718 4M52 M52 6.42202
719 4M3P HCS 6.42202
720 1ZGS XMM 6.42202
721 2A8X FAD 6.42202
722 1RYI GOA 6.42202
723 1RYI FAD 6.42202
724 1XKQ NDP 6.42857
725 5Y8L HUI 6.44068
726 5Y8L NAD 6.44068
727 5EES NAP 6.47773
728 2B4Q NAP 6.52174
729 4JK3 NAD 6.56371
730 3A1S GDP 6.58915
731 2P3V SRT 6.64062
732 1JNR FAD 6.66667
733 4E13 NAD 6.71378
734 5LD5 NAD 6.72783
735 1NVM NAD 6.72783
736 5OC1 FAD 6.72783
737 4Z0H NAD 6.72783
738 5A04 NDP 6.72783
739 4YNU FAD 6.72783
740 4YNU LGC 6.72783
741 5A04 BGC 6.72783
742 4DE3 DN8 6.72783
743 5X20 NAD 6.73077
744 4J4H NAI 6.94981
745 4J4H 1J1 6.94981
746 1U3U BNF 7.03364
747 1U3U NAD 7.03364
748 2ZJ1 ARJ 7.03364
749 2ZJ1 NAD 7.03364
750 2FZW NAD 7.03364
751 1I2B UPG 7.03364
752 1I2B USQ 7.03364
753 1I2B NAD 7.03364
754 1BXK NAD 7.03364
755 3V1Y NAD 7.03364
756 3CIF NAD 7.03364
757 3L6C MLI 7.03364
758 3K7M FAD 7.03364
759 4RPL FAD 7.03364
760 4RPL 3UC 7.03364
761 3CIF G3H 7.03364
762 5J7X FAD 7.03364
763 5TUK FAD 7.03364
764 4HA6 FAD 7.03364
765 2Q0L NAP 7.07396
766 2Q0L FAD 7.07396
767 2G5C NAD 7.11744
768 3NOJ PYR 7.14286
769 2EV9 SKM 7.22433
770 2EV9 NAP 7.22433
771 4YRY FAD 7.24638
772 4YRY NAD 7.24638
773 3GEG NAD 7.28745
774 3QV1 NAD 7.31707
775 2JHF NAD 7.33945
776 1V8B NAD 7.33945
777 1KEW NAD 7.33945
778 1KEW TYD 7.33945
779 1GTE FAD 7.33945
780 1RSG FAD 7.33945
781 1YY5 FAD 7.33945
782 5BUK FAD 7.33945
783 1NPD NAD 7.33945
784 5XWC 8GL 7.33945
785 5XWC NAP 7.33945
786 5XWC 2IT 7.33945
787 5ZEC NAP 7.33945
788 5YV5 ADP 7.33945
789 1VI2 NAD 7.33945
790 1PBQ DK1 7.53425
791 1F8F NAD 7.64526
792 3CMC NAD 7.64526
793 1Q9I FAD 7.64526
794 1Q9I TEO 7.64526
795 3OID NDP 7.64526
796 5HJQ I3P 7.64526
797 3TN7 NJP 7.64526
798 1YS4 NAP 7.64526
799 2VAR KDG 7.66773
800 2VAR KDF 7.66773
801 3CH6 311 7.69231
802 3CH6 NAP 7.69231
803 2WQ4 SFU 7.69231
804 3VZS CAA 7.7821
805 3VZS NAP 7.7821
806 3D3W NAP 7.78689
807 1PR9 NAP 7.78689
808 5D4V SAH 7.83582
809 5ZYN FAD 7.85563
810 5U5N NAD 7.8853
811 3GFB NAD 7.95107
812 2CDU ADP 7.95107
813 4ZGS NAD 7.95107
814 5VKT NAP 7.95107
815 2GMH FAD 7.95107
816 2CDU FAD 7.95107
817 1RPN NDP 7.95107
818 5N6C NAD 8
819 5L53 NAP 8.02469
820 3HEE R5P 8.05369
821 1NFQ NAI 8.07692
822 1Q7B NAP 8.19672
823 1VL0 NAI 8.21918
824 1HYH NAD 8.25688
825 5UR0 NAD 8.25688
826 2B4R NAD 8.25688
827 2B4R AES 8.25688
828 3E1T FAD 8.25688
829 1CF2 NAP 8.25688
830 4U8P UDP 8.25688
831 4U8P FDA 8.25688
832 5G48 1FL 8.25688
833 2CFC NAD 8.4
834 2ZAT NAP 8.46154
835 1XSE NDP 8.47458
836 4YSX FAD 8.51064
837 3K5I AIR 8.56269
838 4YKG NAD 8.56269
839 3SJ7 NDP 8.73016
840 5JY6 NAD 8.8685
841 5L4L NAP 8.88158
842 1XX6 ADP 8.90052
843 4OPC PGT 9.17431
844 4OPC FDA 9.17431
845 2I3G NAP 9.17431
846 4A0S NAP 9.17431
847 6FHO FAD 9.17431
848 5K4W NAI 9.34579
849 5K4W THR 9.34579
850 2F5Z FAD 9.375
851 1Z0N BCD 9.375
852 5OFW 9TW 9.41704
853 2YVF NAD 9.48012
854 2YVF FAD 9.48012
855 1W6U NAP 9.48012
856 3WLE NAD 9.78593
857 6A0S HSE 9.78593
858 6A0S NDP 9.78593
859 5MZI FYK 9.78593
860 5MZI FAD 9.78593
861 2IVD FAD 9.78593
862 4XFR CIT 9.78593
863 5E5U MLI 9.78593
864 5KVS NAP 9.78593
865 4ZA2 NAD 9.88142
866 5ODQ FAD 10
867 6BYF CIT 10
868 3OJO NAD 10.0917
869 5BVA FAD 10.0917
870 3JYN NDP 10.0917
871 1IY8 NAD 10.1124
872 2VTD LKM 10.1124
873 1DRV A3D 10.2564
874 1F06 NDP 10.3125
875 1F06 2NP 10.3125
876 1GZ4 ATP 10.3976
877 4G5H NAP 10.3976
878 4G5H UD7 10.3976
879 4AP3 FAD 10.3976
880 4AP3 NAP 10.3976
881 3V1U NAD 10.3976
882 6AC9 ANP 10.3976
883 1DIG NAP 10.4575
884 1DIG L37 10.4575
885 6D2O 4MZ 10.5263
886 5YRI GLC GLC 10.5634
887 5ZZ6 NAD 10.5769
888 5ZZ6 ADP 10.5769
889 3H9E NAD 10.7034
890 5AHN IMP 10.7034
891 1LSS NAD 10.7143
892 1NVT NAP 10.8014
893 1UZN NAP 10.9312
894 1UAY ADN 11.157
895 3A28 NAD 11.2403
896 1SB8 UD2 11.9266
897 1SB8 NAD 11.9266
898 2PS1 ORO 11.9469
899 4GUT FAD 12.0968
900 4GUS FAD 12.0968
901 4HSU FAD 12.0968
902 2GAG NAD 12.1212
903 5JWC FAD 12.2324
904 4K26 SFF 12.3188
905 4K26 NDP 12.3188
906 5DN9 NAD 12.5382
907 1R6D NAD 12.5382
908 1R6D DAU 12.5382
909 3EGI ADP 12.6214
910 1NAA ABL 13.1498
911 1NAA 6FA 13.1498
912 3AD8 NAD 13.3005
913 4URF NAD 13.3065
914 1WMA AB3 13.4058
915 1WMA NDP 13.4058
916 3GDN HBX 13.4557
917 3GDN FAD 13.4557
918 1P6O HPY 13.6646
919 1P1C SAH 13.7615
920 4J7U YTZ 13.8889
921 4J7U NAP 13.8889
922 2PZM UDP 13.9394
923 2PZM NAD 13.9394
924 3GD4 FAD 14.3731
925 3GD4 NAD 14.3731
926 1H82 GZZ 14.9847
927 1H82 FAD 14.9847
928 1YJQ NAP 15.1815
929 2BKA NDP 15.2893
930 5DOZ NDP 15.2905
931 4BV6 FAD 15.5963
932 2HJR APR 15.9021
933 2HJR CIT 15.9021
934 1EZ4 NAD 17.1254
935 3VPH NAD 17.7419
936 3VPH OXM 17.7419
937 1C3V NDP 17.9592
938 3L9W AMP 18.6544
939 3A06 FOM 27.2171
940 3A06 NDP 27.2171
941 5L95 AMP 27.5
942 4ZVV GN0 27.5229
943 4ZVV NAD 27.5229
944 2YVJ NAI 27.5229
945 1PZG A3D 29.9094
946 1LDN NAD 29.9694
947 1LDN OXM 29.9694
948 1LTH NAD 30.094
949 1SOW NAD 31.1927
950 1SOW OXL 31.1927
951 4PLG OXM 33.3333
952 4PLG NAI 33.3333
953 1V6A TRE 33.6391
954 6CEP OXM 34.2508
955 6CEP NAD 34.2508
956 1A5Z NAD 35.1097
957 4PLT OXM 36.2538
958 4PLT NAI 36.2538
959 9LDT NAD 36.6972
960 9LDB NAD 36.6972
961 2A92 NAI 37.6947
962 1LDM NAD 40.6728
963 1HYE NAP 41.2844
964 1T26 NAI 42.8135
965 1T26 GBD 42.8135
Pocket No.: 2; Query (leader) PDB : 2CVQ; Ligand: NDP; Similar sites found with APoc: 94
This union binding pocket(no: 2) in the query (biounit: 2cvq.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 6BKL EU7 None
2 2V7O DRN 1.52905
3 1XTP SAI 1.5748
4 5F5N NAD 1.7301
5 3T7S SAM 1.83486
6 5F7J ADE 1.875
7 4POO SAM 2
8 3G2O SAM 2.00669
9 5AJU RP5 2.18978
10 2FJK 13P 2.29508
11 2RBK VN4 2.29885
12 5YSS NAD 2.34375
13 4NTO 1PW 2.41546
14 4QO5 NAG 2.44648
15 1GVF PGH 2.44755
16 3R51 MMA 2.5
17 5WQP NAP 2.5641
18 5L3S G 2.7027
19 5WP5 SAH 2.75229
20 4J0Q GDP 2.75229
21 2NXE SAM 2.75591
22 4KIB SAH 3.0581
23 4M73 SAH 3.0581
24 5LJW ANP 3.0581
25 4M73 M72