Receptor
PDB id Resolution Class Description Source Keywords
3PWS 2 Å EC: 1.2.1.11 CRYSTAL STRUCTURE OF ASPARTATE BETA-SEMIALDEHIDE DEHYDROGENA STREPTOCOCCUS PNEUMONIAE WITH 2',5'-ADENOSINE DIPHOSPHATE AA MINOADIPATE STREPTOCOCCUS PNEUMONIAE DEHYDROGENASE NADP OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR
Ref.: STRUCTURAL CHARACTERIZATION OF INHIBITORS WITH SELE AGAINST MEMBERS OF A HOMOLOGOUS ENZYME FAMILY. CHEM.BIOL.DRUG DES. V. 79 128 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
11C A:367;
B:367;
Valid;
Valid;
none;
none;
submit data
161.156 C6 H11 N O4 C(C[C...
A2P A:369;
B:368;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
NA A:368;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GZ3 2.1 Å EC: 1.2.1.11 STRUCTURE OF ASPARTATE SEMIALDEHYDE DEHYDROGENASE (ASADH) FR STREPTOCOCCUS PNEUMONIAE COMPLEXED WITH NADP AND ASPARTATE-S EMIALDEHYDE STREPTOCOCCUS PNEUMONIAE DEHYDROGENASE ASPARTATE PATHWAY OXIDOREDUCTASE
Ref.: EXAMINATION OF KEY INTERMEDIATES IN THE CATALYTIC C ASPARTATE-BETA-SEMIALDEHYDE DEHYDROGENASE FROM A GRAM-POSITIVE INFECTIOUS BACTERIA. J.BIOL.CHEM. V. 281 31031 2006
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4R54 Ki = 2.2 mM 3JM C11 H10 O6 c1cc(c(c(c....
2 3PZB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3PYL - 2RA C3 H8 N2 O2 C([C@H](C(....
4 2GZ3 Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4R41 Ki = 0.27 mM 4NO C7 H6 N O7 P c1cc(c(cc1....
6 4R51 Ki = 3.8 mM PHT C8 H6 O4 c1ccc(c(c1....
7 4R4J Ki = 2.4 mM 3JL C12 H12 O6 c1cc(c(c(c....
8 2GZ1 Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 3PWS - A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
10 2GZ2 Kd = 6 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
11 3PYX Ki = 0.78 mM 12T C8 H7 N O4 c1cc(c(cc1....
12 3Q11 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4R5H Ki = 4.2 mM 3JN C12 H10 O6 c1cc(c(c(c....
14 4R3W Ki = 1 mM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
15 3PWK Ki ~ 0.45 mM L14 C8 H12 O4 C1CC(CCC1C....
16 4R3N Ki = 1 mM 3GQ C9 H6 O6 c1cc(c(c(c....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4R54 Ki = 2.2 mM 3JM C11 H10 O6 c1cc(c(c(c....
2 3PZB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3PYL - 2RA C3 H8 N2 O2 C([C@H](C(....
4 2GZ3 Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4R41 Ki = 0.27 mM 4NO C7 H6 N O7 P c1cc(c(cc1....
6 4R51 Ki = 3.8 mM PHT C8 H6 O4 c1ccc(c(c1....
7 4R4J Ki = 2.4 mM 3JL C12 H12 O6 c1cc(c(c(c....
8 2GZ1 Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 3PWS - A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
10 2GZ2 Kd = 6 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
11 3PYX Ki = 0.78 mM 12T C8 H7 N O4 c1cc(c(cc1....
12 3Q11 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4R5H Ki = 4.2 mM 3JN C12 H10 O6 c1cc(c(c(c....
14 4R3W Ki = 1 mM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
15 3PWK Ki ~ 0.45 mM L14 C8 H12 O4 C1CC(CCC1C....
16 4R3N Ki = 1 mM 3GQ C9 H6 O6 c1cc(c(c(c....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4R54 Ki = 2.2 mM 3JM C11 H10 O6 c1cc(c(c(c....
2 3PZB - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3PYL - 2RA C3 H8 N2 O2 C([C@H](C(....
4 2GZ3 Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4R41 Ki = 0.27 mM 4NO C7 H6 N O7 P c1cc(c(cc1....
6 4R51 Ki = 3.8 mM PHT C8 H6 O4 c1ccc(c(c1....
7 4R4J Ki = 2.4 mM 3JL C12 H12 O6 c1cc(c(c(c....
8 2GZ1 Kd = 6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 3PWS - A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
10 2GZ2 Kd = 6 uM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
11 3PYX Ki = 0.78 mM 12T C8 H7 N O4 c1cc(c(cc1....
12 3Q11 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4R5H Ki = 4.2 mM 3JN C12 H10 O6 c1cc(c(c(c....
14 4R3W Ki = 1 mM A2P C10 H15 N5 O10 P2 c1nc(c2c(n....
15 3PWK Ki ~ 0.45 mM L14 C8 H12 O4 C1CC(CCC1C....
16 4R3N Ki = 1 mM 3GQ C9 H6 O6 c1cc(c(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 11C; Similar ligands found: 49
No: Ligand ECFP6 Tc MDL keys Tc
1 11C 1 1
2 UN1 1 1
3 NPI 0.677419 0.961538
4 API 0.607143 0.923077
5 26P 0.606061 0.892857
6 2NP 0.571429 0.75
7 GGL 0.566667 0.96
8 DGL 0.566667 0.96
9 GLU 0.566667 0.96
10 ORN 0.548387 0.724138
11 NLE 0.53125 0.724138
12 DLY 0.515152 0.7
13 DHH 0.5 0.888889
14 LYS 0.5 0.677419
15 2JJ 0.485714 0.675676
16 5OY 0.485714 0.675676
17 ONH 0.485714 0.638889
18 6CL 0.472222 0.888889
19 GLN 0.46875 0.793103
20 DGN 0.46875 0.793103
21 HSE 0.466667 0.733333
22 DAB 0.466667 0.645161
23 CIR 0.459459 0.638889
24 ABH 0.459459 0.6
25 CBH 0.452381 0.806452
26 HCS 0.451613 0.689655
27 NVA 0.451613 0.714286
28 KKA 0.444444 0.714286
29 SHR 0.444444 0.806452
30 ONL 0.441176 0.793103
31 HCG 0.44 0.657895
32 ASP 0.433333 0.814815
33 DAS 0.433333 0.814815
34 MED 0.428571 0.606061
35 MET 0.428571 0.606061
36 ALY 0.414634 0.638889
37 DSN 0.413793 0.633333
38 ABA 0.413793 0.666667
39 SER 0.413793 0.633333
40 PML 0.413793 0.62963
41 DBB 0.413793 0.666667
42 HGA 0.405405 0.648649
43 3O3 0.404762 0.757576
44 EXY 0.404762 0.657143
45 CYS 0.4 0.62069
46 DCY 0.4 0.62069
47 ABU 0.4 0.678571
48 REZ 0.4 0.757576
49 C2N 0.4 0.642857
Ligand no: 2; Ligand: A2P; Similar ligands found: 274
No: Ligand ECFP6 Tc MDL keys Tc
1 A2P 1 1
2 ATR 0.835616 0.985294
3 2AM 0.80597 0.956522
4 A2R 0.772152 0.943662
5 A22 0.7625 0.943662
6 25A 0.731707 0.957143
7 NA7 0.72619 0.917808
8 V3L 0.7 0.957143
9 AMP 0.684932 0.956522
10 A 0.684932 0.956522
11 A3P 0.684211 0.985294
12 OVE 0.675676 0.916667
13 7D5 0.643836 0.888889
14 3AM 0.626667 0.942029
15 25L 0.626374 0.943662
16 PO4 PO4 A A A A PO4 0.611111 0.942029
17 NPW 0.598039 0.848101
18 NDP 0.598039 0.881579
19 XNP 0.596154 0.858974
20 PAP 0.595238 0.971014
21 NZQ 0.592233 0.87013
22 TXP 0.592233 0.881579
23 ODP 0.586538 0.87013
24 NJP 0.586538 0.905405
25 A2D 0.575 0.929577
26 ABM 0.575 0.902778
27 PPS 0.574713 0.858974
28 ADP 0.573171 0.957143
29 SRA 0.56962 0.90411
30 AN2 0.566265 0.943662
31 2A5 0.564706 0.90411
32 AMP MG 0.5625 0.876712
33 BA3 0.560976 0.929577
34 A12 0.560976 0.917808
35 AP2 0.560976 0.917808
36 SAP 0.55814 0.905405
37 AGS 0.55814 0.905405
38 AP5 0.554217 0.929577
39 B4P 0.554217 0.929577
40 ATP 0.552941 0.957143
41 7D3 0.548781 0.890411
42 5FA 0.546512 0.957143
43 AQP 0.546512 0.957143
44 APC 0.546512 0.917808
45 RAB 0.541667 0.802817
46 XYA 0.541667 0.802817
47 ADN 0.541667 0.802817
48 7D4 0.541176 0.890411
49 AU1 0.541176 0.930556
50 ADX 0.541176 0.835443
51 CA0 0.541176 0.90411
52 M33 0.541176 0.916667
53 NAP 0.539823 0.930556
54 DG1 0.535088 0.881579
55 1DG 0.535088 0.881579
56 TAP 0.535088 0.893333
57 50T 0.534884 0.916667
58 ACP 0.534884 0.930556
59 NA0 0.530435 0.917808
60 PRX 0.528736 0.878378
61 APR 0.528736 0.929577
62 AR6 0.528736 0.929577
63 ACQ 0.52809 0.930556
64 TAT 0.52809 0.917808
65 DA 0.52439 0.915493
66 D5M 0.52439 0.915493
67 ADP MG 0.523256 0.890411
68 ADV 0.522727 0.891892
69 RBY 0.522727 0.891892
70 AD9 0.522727 0.930556
71 ADQ 0.521277 0.90411
72 ADP BEF 0.517241 0.866667
73 BEF ADP 0.517241 0.866667
74 SON 0.511628 0.917808
75 ANP 0.511111 0.930556
76 NMN AMP PO4 0.509091 0.855263
77 7D7 0.506849 0.75
78 ADP PO3 0.505618 0.928571
79 5AL 0.505495 0.916667
80 ATF 0.5 0.917808
81 ATP MG 0.5 0.890411
82 AV2 0.5 0.929577
83 CO7 0.495935 0.770115
84 AR6 AR6 0.495146 0.902778
85 ADP BMA 0.494845 0.878378
86 ENP 0.494845 0.878378
87 OAD 0.494845 0.90411
88 5SV 0.494737 0.833333
89 SRP 0.494624 0.891892
90 GAP 0.494505 0.878378
91 101 0.493976 0.888889
92 5N5 0.486842 0.777778
93 BIS 0.484848 0.893333
94 PTJ 0.484848 0.881579
95 00A 0.484536 0.868421
96 MAP 0.484211 0.905405
97 ALF ADP 0.483871 0.855263
98 ADP ALF 0.483871 0.855263
99 5AS 0.482759 0.764706
100 N01 0.482456 0.890411
101 A4D 0.480519 0.777778
102 5CD 0.480519 0.788732
103 OOB 0.479167 0.916667
104 8QN 0.479167 0.916667
105 ADP VO4 0.478723 0.916667
106 VO4 ADP 0.478723 0.916667
107 ANP MG 0.478723 0.88
108 3AT 0.478261 0.957143
109 DTA 0.475 0.77027
110 A A 0.474747 0.929577
111 AMO 0.474227 0.891892
112 4AD 0.474227 0.88
113 PAJ 0.474227 0.846154
114 A1R 0.474227 0.868421
115 AOC 0.470588 0.805556
116 A3G 0.470588 0.76
117 FYA 0.47 0.890411
118 1ZZ 0.47 0.825
119 3OD 0.47 0.90411
120 DLL 0.469388 0.916667
121 AHX 0.469388 0.857143
122 MTA 0.469136 0.756757
123 0WD 0.469027 0.881579
124 DAL AMP 0.46875 0.890411
125 UPA 0.46789 0.868421
126 DAT 0.466667 0.916667
127 5X8 0.466667 0.746667
128 2VA 0.466667 0.76
129 TM1 0.465347 0.802469
130 3UK 0.464646 0.90411
131 A A A 0.464646 0.890411
132 APU 0.463636 0.905405
133 EP4 0.4625 0.736842
134 DTP 0.462366 0.916667
135 9SN 0.460784 0.857143
136 WAQ 0.46 0.868421
137 PR8 0.46 0.835443
138 LAD 0.46 0.846154
139 6RE 0.458824 0.74359
140 3DH 0.457831 0.756757
141 M2T 0.45679 0.717949
142 ATP A A A 0.456311 0.915493
143 ME8 0.455446 0.825
144 NB8 0.455446 0.857143
145 TXA 0.455446 0.891892
146 JB6 0.455446 0.868421
147 GGZ 0.453608 0.833333
148 5AD 0.453333 0.753623
149 ANZ 0.45283 0.831169
150 G5A 0.451613 0.764706
151 VRT 0.451613 0.730769
152 SO8 0.451613 0.75
153 MYR AMP 0.45098 0.802469
154 PUA 0.449153 0.87013
155 Y3J 0.448718 0.732394
156 IMO 0.448276 0.914286
157 AS 0.448276 0.866667
158 103 0.447059 0.847222
159 ACK 0.447059 0.898551
160 QQY 0.447059 0.849315
161 OMR 0.445455 0.814815
162 A3S 0.444444 0.77027
163 3AD 0.443038 0.814286
164 FA5 0.442308 0.891892
165 YAP 0.442308 0.88
166 AFH 0.439252 0.846154
167 TSB 0.438776 0.783133
168 XAH 0.438095 0.825
169 TYR AMP 0.438095 0.866667
170 A U 0.4375 0.855263
171 A5A 0.4375 0.792683
172 DSH 0.436782 0.708861
173 NAX 0.436364 0.835443
174 NAI 0.436364 0.868421
175 QQX 0.435294 0.837838
176 A3T 0.434783 0.780822
177 4UV 0.433962 0.88
178 SSA 0.43299 0.764706
179 J7C 0.431818 0.753247
180 DDS 0.431579 0.888889
181 LAQ 0.431193 0.825
182 ZAS 0.430233 0.75
183 G3A 0.429907 0.881579
184 DCA 0.428571 0.788235
185 54H 0.428571 0.77381
186 VMS 0.428571 0.77381
187 ETB 0.428571 0.797619
188 AP0 0.428571 0.857143
189 CC5 0.428571 0.8
190 52H 0.428571 0.764706
191 48N 0.427273 0.857143
192 8BR 0.426966 0.891892
193 S4M 0.426966 0.651163
194 4UU 0.425926 0.88
195 7MD 0.425926 0.825
196 G5P 0.425926 0.881579
197 NVA 2AD 0.425532 0.75
198 3L1 0.425 0.756757
199 3D1 0.425 0.756757
200 53H 0.424242 0.764706
201 5CA 0.424242 0.764706
202 4UW 0.423423 0.846154
203 6V0 0.423423 0.857143
204 TXD 0.423423 0.868421
205 UP5 0.423423 0.88
206 PAX 0.422764 0.8375
207 MAO 0.422222 0.743902
208 71V 0.422222 0.868421
209 TAD 0.422018 0.846154
210 GTA 0.422018 0.848101
211 COA 0.421488 0.788235
212 0T1 0.421488 0.788235
213 SAH 0.421053 0.727273
214 AMP DBH 0.420561 0.853333
215 NEC 0.420455 0.72973
216 ALF ADP 3PG 0.419643 0.822785
217 TXE 0.419643 0.868421
218 TYM 0.419643 0.891892
219 LA8 ALF 3PG 0.419643 0.822785
220 SFG 0.419355 0.733333
221 NDO 0.418033 0.90411
222 P5A 0.417476 0.730337
223 139 0.417391 0.835443
224 4TC 0.415929 0.857143
225 LSS 0.415842 0.747126
226 NSS 0.415842 0.764706
227 DSZ 0.415842 0.764706
228 AAM 0.41573 0.956522
229 A3N 0.41573 0.746667
230 WMP 0.415254 0.876712
231 LPA AMP 0.414414 0.802469
232 YLP 0.414414 0.804878
233 ZZB 0.413793 0.802469
234 A7D 0.413043 0.76
235 NVA LMS 0.411765 0.747126
236 C2R 0.411765 0.863014
237 AMZ 0.411765 0.875
238 30N 0.41129 0.72043
239 AMX 0.41129 0.797619
240 COS 0.41129 0.770115
241 CAO 0.41129 0.761364
242 GJV 0.411111 0.734177
243 DND 0.410714 0.891892
244 NXX 0.410714 0.891892
245 128 0.410714 0.783133
246 SA8 0.410526 0.691358
247 A5D 0.410526 0.77027
248 PGS 0.408602 0.844156
249 2SA 0.408163 0.891892
250 CMX 0.408 0.788235
251 SCO 0.408 0.788235
252 LEU LMS 0.407767 0.747126
253 G A A A 0.40678 0.857143
254 6C6 0.40625 0.866667
255 SAI 0.40625 0.717949
256 CA6 0.40625 0.697917
257 ARG AMP 0.405405 0.814815
258 AHZ 0.405405 0.802469
259 12D 0.405405 0.792683
260 ADJ 0.405172 0.814815
261 FAM 0.404762 0.770115
262 FCX 0.404762 0.761364
263 ACO 0.404762 0.761364
264 S7M 0.40404 0.674699
265 KAA 0.403846 0.738636
266 GSU 0.403846 0.764706
267 YLC 0.403509 0.825
268 7MC 0.403509 0.804878
269 YLB 0.403509 0.804878
270 NIA 0.402299 0.807692
271 2GP 0.402174 0.891892
272 6IA 0.402062 0.822785
273 HAX 0.401575 0.770115
274 A4P 0.4 0.807229
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GZ3; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2gz3.bio2) has 47 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GZ3; Ligand: NAP; Similar sites found: 443
This union binding pocket(no: 2) in the query (biounit: 2gz3.bio2) has 49 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3QJ4 FAD 0.001336 0.41619 0.877193
2 2GSD NAD 0.0007489 0.43237 1.0929
3 2CVQ NDP 0.00005268 0.49582 1.22324
4 1HKU NAD 0.0001483 0.47079 1.36612
5 3KLJ FAD 0.001129 0.43061 1.36612
6 1GR0 NAD 0.001435 0.42417 1.36612
7 4XDY NAI 0.001258 0.44533 1.47929
8 1RPN NDP 0.0004043 0.43978 1.49254
9 3OJO NAD 0.0002181 0.48879 1.63934
10 5TUK FAD 0.003349 0.42466 1.63934
11 4OJZ LGU MAV BEM 0.03284 0.40753 1.63934
12 3MJE NDP 0.00004243 0.40026 1.63934
13 1YJQ NAP 0.0003353 0.45091 1.65016
14 3TWO NDP 0.0001355 0.46012 1.72414
15 5F5N NAD 0.002175 0.43528 1.7301
16 1PA9 CSN 0.01949 0.42229 1.76056
17 4D79 ATP 0.02283 0.40943 1.81159
18 1FS5 TLA 0.04348 0.40135 1.8797
19 4OSP NAP 0.00032 0.46378 1.90114
20 3GGO NAI 0.0002391 0.43563 1.91083
21 3GGO ENO 0.0002391 0.43563 1.91083
22 1Q0H FOM 0.0001481 0.43341 1.91257
23 1Q0H NDP 0.0001826 0.42613 1.91257
24 2RGJ FAD 0.001632 0.42445 1.91257
25 3NKS FAD 0.002062 0.41155 1.91257
26 5GUD NDP 0.001672 0.41061 1.91257
27 4G74 FAD 0.003163 0.40685 1.91257
28 5GUD 2IT 0.002991 0.40567 1.91257
29 3NJ4 AFX 0.008481 0.40145 1.91257
30 2VHW NAI 0.0001813 0.40024 1.91257
31 2X7I CIT 0.01285 0.43927 1.94805
32 1K3T BRZ 0.00003896 0.41231 1.94986
33 4W6Z 8ID 0.0001251 0.40203 2.01729
34 4K91 SIN 0.0498 0.41373 2.02312
35 1LLU NAD 0.0000463 0.48072 2.04678
36 2BKX F6R 0.02327 0.41835 2.06612
37 2Q1W NAD 0.0009227 0.43661 2.1021
38 4RVU NDP 0.005873 0.40093 2.10843
39 2G5C NAD 0.00009567 0.48172 2.13523
40 2B6N ALA PRO THR 0.0292 0.4182 2.15827
41 1MV8 NAD 0.000645 0.45759 2.18579
42 1MUU NAD 0.0008452 0.45584 2.18579
43 1E5Q NDP 0.000518 0.45522 2.18579
44 1MUU SUC 0.03524 0.43565 2.18579
45 1XHC FAD 0.003101 0.40717 2.18579
46 2VVL FAD 0.001767 0.40575 2.18579
47 2QA1 FAD 0.003124 0.40917 2.2
48 1EJ0 SAM 0.0259 0.40677 2.22222
49 3WMX NAD 0.0002868 0.47246 2.23464
50 2B5W NAP 0.0001473 0.45876 2.2409
51 1H5Q NAP 0.001422 0.43186 2.26415
52 5U5G NAP 0.001567 0.43556 2.37288
53 4B7X NAP 0.00182 0.42263 2.38095
54 1J49 NAD 0.00005952 0.49365 2.4024
55 3BAZ NAP 0.0001214 0.49203 2.4024
56 3B1F NAD 0.00002289 0.53713 2.41379
57 3IHG FAD 0.009955 0.40265 2.42991
58 5GZ6 NDP 0.0001961 0.49924 2.45399
59 5GZ6 7C3 0.0002242 0.48825 2.45399
60 2BD0 NAP 0.0001886 0.46354 2.45902
61 1LJ8 NAD 0.002914 0.44194 2.45902
62 1M2W NAD 0.003818 0.43353 2.45902
63 5EVY FAD 0.007767 0.41979 2.45902
64 5MPQ BLG 0.02929 0.41655 2.45902
65 3GMB FAD 0.007184 0.40392 2.45902
66 5FI3 NAP 0.00003499 0.49931 2.52101
67 3LRE ADP 0.03081 0.42472 2.53521
68 1KYQ NAD 0.0002769 0.50601 2.55474
69 4ZRN NAD 0.001513 0.4233 2.5641
70 1UXG NAD 0.000137 0.40698 2.589
71 1VL8 NAP 0.0003862 0.44855 2.62172
72 4KWI NAP 0.0003959 0.43038 2.6616
73 4KWI 1TJ 0.0004272 0.42696 2.6616
74 5EPO NAP 0.00279 0.42273 2.67176
75 3LZW FAD 0.003614 0.4007 2.71084
76 5H81 NAP 0.00001538 0.54493 2.73224
77 1F8F NAD 0.0001222 0.49191 2.73224
78 5CAE COA 0.000171 0.48949 2.73224
79 1CDO NAD 0.0002233 0.47704 2.73224
80 1O0S NAI 0.0004056 0.47682 2.73224
81 5MSO NAP 0.0006141 0.45849 2.73224
82 5CAE SIN 0.0004287 0.4468 2.73224
83 5CX6 CDP 0.02663 0.43355 2.73224
84 2IVD FAD 0.001321 0.42084 2.73224
85 2QRK AMP 0.00005828 0.41815 2.73224
86 3UIM ANP 0.03704 0.40199 2.76074
87 4ZA2 NAD 0.001076 0.44224 2.7668
88 4J7U YTZ 0.0003181 0.40463 2.77778
89 4J7U NAP 0.0003181 0.40463 2.77778
90 3CIF G3H 0.0000219 0.42355 2.78552
91 3CIF NAD 0.0000314 0.40234 2.78552
92 4NBU NAI 0.0005872 0.44709 2.8
93 2EWM NAD 0.0005604 0.4479 2.81124
94 1JAY NAP 0.00003774 0.5273 2.83019
95 3ZV6 NAD 0.001463 0.40857 2.84698
96 3ZV6 4HB 0.001486 0.40637 2.84698
97 1X7D NAD 0.0001096 0.48281 2.85714
98 1X7D ORN 0.0001488 0.45302 2.85714
99 1Q7B NAP 0.0002584 0.46435 2.86885
100 3NGL NAP 0.001126 0.46429 2.89855
101 4K26 NDP 0.001187 0.43497 2.89855
102 4K26 SFF 0.00188 0.40882 2.89855
103 5AX9 4KT 0.03307 0.40443 2.92208
104 3NOJ PYR 0.04536 0.4259 2.94118
105 1D1T NAD 0.00003981 0.48992 3.00546
106 1YQT ADP 0.01605 0.44514 3.00546
107 1U3U BNF 0.0002277 0.43402 3.00546
108 1U3U NAD 0.0002277 0.43402 3.00546
109 4XQC NAD 0.0005218 0.41967 3.00546
110 4XQC 13D 0.0005022 0.41814 3.00546
111 3CGB FAD 0.003921 0.40139 3.00546
112 2ZAT NAP 0.0003283 0.46017 3.07692
113 1A27 NAP 0.002763 0.4229 3.11419
114 4A0S NAP 0.0002739 0.46022 3.13199
115 3ICC NAP 0.0003663 0.45228 3.13725
116 1VKO NAD 0.0001625 0.46607 3.16574
117 1HYE NAP 0.00000423 0.56485 3.19489
118 5X20 NAD 0.0009345 0.45397 3.20513
119 2F1K NAP 0.0004563 0.46394 3.22581
120 2UYQ SAM 0.03558 0.42278 3.22581
121 1GV0 NAD 0.00001827 0.40967 3.22581
122 1BDB NAD 0.0008926 0.43455 3.2491
123 2HK9 ATR 0.0001912 0.53637 3.27273
124 2HK9 NAP 0.0001698 0.48207 3.27273
125 2YVJ NAI 0.002355 0.45679 3.27869
126 4XYB NDP 0.000314 0.4492 3.27869
127 1X1T NAD 0.001035 0.43207 3.27869
128 3FG2 FAD 0.006027 0.40259 3.27869
129 2GUE NAG 0.03682 0.40056 3.27869
130 1O6Z NAD 0.00001023 0.54288 3.30033
131 4K28 NAD 0.0002388 0.47941 3.34572
132 2ZB4 NAP 0.00239 0.40922 3.36134
133 2ZB4 5OP 0.00232 0.40761 3.36134
134 3RFV NAI 0.001095 0.44484 3.37079
135 3RFV 15L 0.001418 0.44314 3.37079
136 3RKR NAP 0.005474 0.45902 3.43511
137 1WP4 NDP 0.0005051 0.45882 3.46021
138 2CVZ NDP 0.004182 0.42327 3.46021
139 3A28 NAD 0.000205 0.4684 3.48837
140 4UP3 NDP 0.02353 0.40072 3.50318
141 1UJ5 5RP 0.03496 0.4125 3.52423
142 2DKN NAI 0.000384 0.46054 3.52941
143 4D3F NAP 0.000723 0.46933 3.54839
144 1GQ2 NAP 0.0001736 0.47465 3.55191
145 1VJT NAD 0.01318 0.41789 3.55191
146 4IV9 FAD 0.002382 0.40321 3.55191
147 3AXB FAD 0.003588 0.40279 3.55191
148 2JB2 FAD 0.00294 0.40194 3.55191
149 1SC6 NAD 0.000077 0.4004 3.55191
150 1LSS NAD 0.001796 0.45495 3.57143
151 1Z82 NDP 0.004498 0.41933 3.58209
152 3WXB NDP 0.0003422 0.45639 3.58423
153 1ZK4 NAP 0.0001252 0.40429 3.58566
154 1DIG NAP 0.0003296 0.45407 3.59477
155 1DIG L37 0.0003988 0.44801 3.59477
156 2RH4 EMO 0.0003231 0.42236 3.61011
157 5JE8 NAD 0.001003 0.45265 3.64238
158 1O8B ABF 0.03075 0.42271 3.65297
159 5L4S NAP 0.0005147 0.43345 3.77358
160 5L4S 6KX 0.0005147 0.43345 3.77358
161 1W2D ADP 0.0238 0.42495 3.77358
162 3H4V NAP 0.001253 0.43674 3.81944
163 2BH9 NAP 0.0001414 0.52554 3.82514
164 3WQQ NDP 0.00003637 0.46375 3.82514
165 3WQQ IB3 0.00003637 0.46375 3.82514
166 1KOL NAD 0.0001946 0.45148 3.82514
167 4KP7 1UQ 0.0001077 0.44263 3.82514
168 4KP7 NAP 0.0001484 0.429 3.82514
169 3UBM COA 0.01993 0.40149 3.82514
170 1E3W NAD 0.0002716 0.46348 3.83142
171 3ABI NAD 0.0003198 0.46062 3.83562
172 1E6W NAD 0.0002131 0.46772 3.84615
173 4YSX FAD 0.001228 0.41324 3.84615
174 4MDH NAD 0.00006771 0.49508 3.89222
175 5KVS NAP 0.01333 0.40677 3.8961
176 5MDH NAD 0.00009547 0.48888 3.9039
177 3RJ5 NAD 0.0002746 0.44082 3.93701
178 4E5N NAD 0.0001552 0.47 3.93939
179 4O0L NDP 0.00008537 0.4803 4
180 4QED NAP 0.0002062 0.4683 4.03226
181 1Y1P NMN AMP PO4 0.0009935 0.45953 4.09357
182 5VKT NAP 0.0001481 0.47408 4.09836
183 1YQD NAP 0.0001141 0.46892 4.09836
184 2IZ1 ATR 0.01193 0.44842 4.09836
185 4XZ3 COA 0.002585 0.44107 4.09836
186 4U7W NDP 0.001653 0.43741 4.09836
187 1P31 EPU 0.01109 0.42453 4.09836
188 2IXB NAD 0.00232 0.42342 4.09836
189 1QMG APX 0.01527 0.40668 4.09836
190 1P3D UMA 0.01421 0.40075 4.09836
191 1IY8 NAD 0.0006253 0.44601 4.11985
192 5DN9 NAD 0.0003053 0.45248 4.12088
193 4MP8 NAD 0.00008249 0.41044 4.12979
194 4CQK PIO 0.03239 0.42516 4.25532
195 3NRZ MTE 0.02492 0.40479 4.26829
196 1YB5 NAP 0.00009942 0.46814 4.2735
197 1W73 NAP 0.001358 0.45018 4.30464
198 1W8D NAP 0.001425 0.44928 4.30464
199 3I6I NDP 0.0004919 0.43175 4.33526
200 3CYQ AMU 0.006276 0.47216 4.34783
201 2PV7 NAD 0.0004045 0.46282 4.36242
202 4HJY NAG NAG NAG 0.006385 0.42079 4.36893
203 4RQU NAD 0.00004512 0.49857 4.37158
204 1P0F NAP 0.000104 0.47363 4.37158
205 1Z45 NAD 0.0009274 0.442 4.37158
206 1F8G NAD 0.005628 0.42899 4.37158
207 1LVL NAD 0.008893 0.42289 4.37158
208 4K5S FAD 0.00329 0.41273 4.37158
209 1T0A FPP 0.02836 0.40773 4.40252
210 3BFV ADP 0.02772 0.42139 4.42804
211 5T9F NAP 0.002399 0.41128 4.42804
212 5T9F TYR 0.002101 0.41125 4.42804
213 3H8V ATP 0.002196 0.45824 4.45205
214 3KB6 NAD 0.0002871 0.46901 4.49102
215 1BW9 NAD 0.0004341 0.47935 4.49438
216 2Q0L NAP 0.0159 0.42338 4.50161
217 1C1X NAD 0.0007716 0.4543 4.50704
218 1N5D NDP 0.0004765 0.45069 4.51389
219 3JQF NAP 0.0007379 0.446 4.51389
220 3BMQ NAP 0.000756 0.44558 4.51389
221 3BMN NAP 0.000951 0.44156 4.51389
222 3JQ8 NAP 0.001015 0.44042 4.51389
223 3JQA NAP 0.001574 0.4383 4.51389
224 4CM9 NAP 0.001165 0.43802 4.51389
225 4CMI NAP 0.001386 0.43774 4.51389
226 3JQB NAP 0.001678 0.43714 4.51389
227 3JQG NAP 0.001694 0.43697 4.51389
228 4CM4 NAP 0.001459 0.43682 4.51389
229 3BMO NAP 0.001461 0.4368 4.51389
230 5JDC NAP 0.001484 0.43653 4.51389
231 4CLR NAP 0.001525 0.43604 4.51389
232 5JCJ NAP 0.001533 0.43594 4.51389
233 5JDI NAP 0.001548 0.43577 4.51389
234 4CM8 NAP 0.001572 0.4355 4.51389
235 4CME NAP 0.00171 0.434 4.51389
236 3JQ7 NAP 0.003236 0.42528 4.51389
237 4CLO NAP 0.003264 0.42512 4.51389
238 1GUZ NAD 0.00001843 0.40528 4.51613
239 4NBT NAD 0.0005545 0.45401 4.58333
240 2AE2 PTO 0.000195 0.4411 4.61538
241 2AE2 NAP 0.000195 0.40862 4.61538
242 4OOE NDP 0.00006289 0.50028 4.64481
243 4JBI NDP 0.0002546 0.47822 4.64481
244 1GY8 NAD 0.0007361 0.4432 4.64481
245 5VN0 NAI 0.003732 0.42537 4.64481
246 2PXX SAH 0.01552 0.41454 4.65116
247 5L95 AMP 0.002179 0.45466 4.6595
248 4XG0 CIT 0.02143 0.43863 4.68384
249 4XFR CIT 0.04195 0.41716 4.68384
250 4R1S NAP 0.001159 0.44683 4.74777
251 3O9Z NAD 0.0004249 0.41847 4.80769
252 3O9Z AKG 0.001408 0.40334 4.80769
253 5AOA PPI 0.01428 0.41703 4.8951
254 3CH6 NAP 0.001552 0.40373 4.8951
255 3CH6 311 0.001552 0.40373 4.8951
256 2OBM ADP 0.02506 0.43628 4.89914
257 1TV5 N8E 0.0128 0.44799 4.91803
258 3C7A NAD 0.01838 0.42717 4.91803
259 5MQ6 NDP 0.005519 0.42641 4.91803
260 1ZMD NAI 0.005364 0.42135 4.91803
261 3SJU NDP 0.00002333 0.50263 5.01792
262 2AHR NAP 0.001442 0.43162 5.01931
263 1GEG NAD 0.0005061 0.4526 5.07812
264 2CFC NAD 0.0004646 0.45716 5.2
265 5D4V SAH 0.008855 0.42006 5.22388
266 3NHB ADP 0.04358 0.41956 5.22876
267 1RM0 NAI 0.00004274 0.45102 5.25328
268 1RM0 D6P 0.00007123 0.43688 5.25328
269 2JAP NDP 0.0001134 0.47541 5.26316
270 2D2I NAP 0.0005668 0.46676 5.26316
271 2JAH NDP 0.0002556 0.46142 5.26316
272 1RKX NAD 0.0003076 0.45823 5.32213
273 4CJX NAP 0.0002926 0.47562 5.32915
274 3OA2 NAD 0.0003635 0.46152 5.34591
275 1OAA OAA 0.0003013 0.42766 5.40541
276 1FK8 NAD 0.0006818 0.45985 5.44747
277 1NVM NAD 0.0000004729 0.56976 5.44872
278 2GCG NDP 0.0003744 0.46099 5.45455
279 3ICS ADP 0.002678 0.47075 5.46448
280 4TXI FAD 0.003125 0.41591 5.46448
281 1JIL 485 0.01767 0.41187 5.46448
282 3ICS FAD 0.003506 0.40117 5.46448
283 1HYH NAD 0.00008385 0.48061 5.50162
284 3JYN NDP 0.003244 0.41296 5.53846
285 2HMT NAI 0.004851 0.43191 5.55556
286 3B6C SDN 0.025 0.4318 5.55556
287 5JWC FAD 0.002522 0.41265 5.56622
288 4ITU NAI 0.0006307 0.44035 5.57621
289 4ITU 1HS 0.0007823 0.41583 5.57621
290 5DOZ NDP 0.00006059 0.4795 5.6213
291 3OIG NAD 0.001423 0.44012 5.6391
292 5T2U NAP 0.0002234 0.45769 5.64516
293 3KO8 NAD 0.0006935 0.44145 5.76923
294 2BKA NDP 0.001101 0.44183 5.78512
295 1ZBQ NAD 0.001476 0.42863 5.8104
296 3B1J NAD 0.0002296 0.46642 5.8997
297 1GZ6 NAI 0.003884 0.41453 5.95611
298 1VI2 NAD 0.0008829 0.4654 6
299 1N9G NAP 0.0002387 0.47942 6.01093
300 1DJN ADP 0.003043 0.43791 6.01093
301 1O94 ADP 0.003847 0.43042 6.01093
302 4WAS NAP 0.0003531 0.44195 6.04396
303 4WAS COO 0.001016 0.42503 6.04396
304 5TH5 MET 0.03368 0.42449 6.08365
305 1WVG APR 0.0004141 0.46915 6.12813
306 3D3W NAP 0.0002102 0.45871 6.14754
307 1PL6 NAD 0.00002992 0.53682 6.17978
308 1PL6 572 0.00007945 0.4782 6.17978
309 3KRO PPV 0.04547 0.40332 6.20438
310 2C29 NAP 0.001715 0.40236 6.23145
311 1NPD NAD 0.000744 0.4616 6.25
312 1A5Z NAD 0.0005428 0.47496 6.26959
313 1YBH P22 0.02492 0.42387 6.28415
314 3AY6 NAI 0.001301 0.41881 6.3197
315 2OOR NAD 0.006444 0.42632 6.32184
316 2HJR APR 0.00001447 0.54112 6.40244
317 3WV8 ATP 0.0006165 0.48038 6.42202
318 1O5I NAD 0.003541 0.44476 6.4257
319 5L53 NAP 0.001 0.46295 6.48148
320 2NU8 COA 0.0002582 0.47438 6.55738
321 3GD4 NAD 0.007483 0.42052 6.55738
322 1GXU 2HP 0.02584 0.43482 6.59341
323 3IID APR 0.007444 0.41021 6.63507
324 5ITV NAI 0.0004917 0.45015 6.66667
325 2XT3 ADP 0.04551 0.42034 6.68605
326 4FN4 NAD 0.0008414 0.44371 6.69291
327 1J5P NAD 0.000001646 0.56215 6.71937
328 1VQW FAD 0.004853 0.40622 6.8306
329 2GV8 FAD 0.005183 0.403 6.8306
330 1OMO NAD 0.0001 0.49966 6.8323
331 3GFB NAD 0.0003459 0.46565 6.85714
332 2B4Q NAP 0.0001184 0.478 6.88406
333 1NYT NAP 0.0001544 0.48755 7.01107
334 3VPH NAD 0.0005322 0.44319 7.09677
335 3VPH OXM 0.0004731 0.43982 7.09677
336 3A06 NDP 0.00001992 0.49461 7.10383
337 3A06 FOM 0.00002178 0.48651 7.10383
338 4XFM THE 0.02775 0.43016 7.10383
339 2V3B FAD 0.002434 0.40892 7.10383
340 5JAQ NAI 0.00212 0.40696 7.10383
341 2X3N FAD 0.002806 0.40668 7.10383
342 1OBB NAD 0.01415 0.40562 7.10383
343 2DT5 NAD 0.00001744 0.51545 7.109
344 1XKQ NDP 0.0005141 0.44377 7.14286
345 1GEE NAD 0.0004408 0.45501 7.27969
346 1ZQ9 SAM 0.008168 0.43091 7.36842
347 4CQM NAP 0.0002394 0.46569 7.37705
348 5E4R NAP 0.00307 0.4236 7.37705
349 3LU1 NAD 0.0004154 0.45605 7.41758
350 2DM6 IMN 0.001537 0.4119 7.50751
351 2GLX NDP 0.001796 0.44488 7.53012
352 2D2F ADP 0.0118 0.45332 7.6
353 4LRJ ANP 0.02101 0.4173 7.69231
354 4GKV NAD 0.00002545 0.49057 7.7381
355 2B4R NAD 0.0000247 0.50165 7.82609
356 2B4R AES 0.00003536 0.49913 7.82609
357 1EZ4 NAD 0.00006243 0.50042 7.86164
358 3WBF NAP 0.000142 0.47821 7.86885
359 3WBF API 0.0001101 0.46952 7.86885
360 4XDZ NDP 0.0025 0.43561 7.87172
361 3A4T SFG 0.01154 0.41483 8.0292
362 2DFV NAD 0.00005224 0.49976 8.06916
363 1LTH NAD 0.00003922 0.51741 8.15047
364 2FR1 NDP 0.0001289 0.46999 8.19672
365 5GT9 NAP 0.0001467 0.47098 8.36502
366 3ORF NAD 0.0008314 0.44682 8.36653
367 5UAV TFB 0.0001823 0.45252 8.38509
368 5UAV NDP 0.0001823 0.45252 8.38509
369 5TUF FAD 0.001456 0.42886 8.46994
370 2DC1 NAD 0.000001175 0.42983 8.47458
371 1C3V NDP 0.00003599 0.49517 8.57143
372 3IWK NAD 0.01629 0.41071 8.74317
373 1HDO NAP 0.0004961 0.44167 9.2233
374 3QWB NDP 0.003891 0.4145 9.28144
375 2VUT NAD 0.02166 0.40497 9.30233
376 1U1I NAD 0.0001763 0.4587 9.43878
377 1UAY ADN 0.01869 0.42323 9.50413
378 1P77 ATR 0.0006705 0.51952 9.55882
379 3JV7 NAD 0.00006129 0.48951 9.56522
380 4PLT OXM 0.0003895 0.40306 9.66767
381 4PLT NAI 0.0002998 0.40173 9.66767
382 2Q2V NAD 0.0008538 0.43273 9.80392
383 2EV9 SKM 0.0001205 0.47114 9.88593
384 1DTL BEP 0.03073 0.41545 9.93789
385 2XKO AKG 0.04739 0.41897 10.1124
386 1E3I CXF 0.00003292 0.47991 10.3825
387 4YCA NDP 0.0005377 0.46093 10.5442
388 1PZG A3D 0.00007309 0.46424 10.574
389 1V35 NAI 0.002565 0.40018 10.6383
390 2D24 XYS XYS 0.03626 0.41566 10.6557
391 5TTJ FAD 0.00132 0.41424 10.6557
392 3A4V PYR 0.0002409 0.44807 10.7256
393 3A4V NAD 0.0002409 0.44807 10.7256
394 5AOG IAC 0.00565 0.40638 10.7492
395 1SOW NAD 0.00004174 0.40491 10.9756
396 1T26 NAI 0.00003556 0.43413 11.1801
397 1XSE NDP 0.0007057 0.42163 11.1864
398 1FWV SGA MAG FUC 0.03978 0.42046 11.194
399 1U8X NAD 0.006529 0.41508 11.2022
400 2A92 NAI 0.00004528 0.48774 11.215
401 1U7T NAD 0.0002154 0.4742 11.4943
402 1U7T TDT 0.0005662 0.42276 11.4943
403 3L4S NAD 0.00002509 0.49775 11.9048
404 3L4S 3PG 0.00002753 0.49268 11.9048
405 5LD5 NAD 0.0005476 0.47102 12.0112
406 4KOA NDP 0.001019 0.47842 12.012
407 3H9E NAD 0.0002821 0.47275 12.0219
408 2Q46 NAP 0.001352 0.43818 12.6482
409 1HDG NAD 0.000648 0.4608 12.6506
410 2VYN NAD 0.00002887 0.5065 12.6888
411 1JJ7 ADP 0.03156 0.42719 13.0769
412 5L4L NAP 0.0008675 0.45869 13.1579
413 4PLG NAI 0.00004831 0.47077 13.1737
414 4R78 AMP 0.03376 0.42047 13.5922
415 3VZS NAP 0.0002496 0.42818 13.6187
416 1H2B NAJ 0.0000772 0.47545 13.649
417 2Y6P CTP 0.04959 0.40773 13.6752
418 4BVA NDP 0.00002636 0.4074 13.7313
419 1XG5 NAP 0.00008489 0.48039 13.9785
420 2X6T NAP 0.003307 0.41975 14.0056
421 9LDB NAD 0.00006331 0.48544 14.4578
422 1ZEM NAD 0.0001048 0.49091 14.5038
423 4J4H 1J1 0.0001566 0.42237 14.6718
424 4J4H NAI 0.0001566 0.42237 14.6718
425 1DSS NAD 0.0003374 0.47297 14.7147
426 1V6A TRE 0.0001946 0.55424 14.759
427 1LDM NAD 0.00005239 0.49225 15.1976
428 1DRV A3D 0.000004696 0.56823 15.3846
429 3CMC NAD 0.0004738 0.42354 15.5689
430 3QV1 NAD 0.0002567 0.47807 15.727
431 1WMA NDP 0.0009727 0.41061 15.942
432 1WMA AB3 0.0009727 0.41061 15.942
433 1EQ2 NAP 0.002534 0.42441 16.129
434 3SJ7 NDP 0.0001377 0.47876 16.6667
435 2Y6Q FAD 0.007475 0.40107 16.6667
436 1YKF NAP 0.0001213 0.47758 16.7614
437 1KEV NDP 0.00009033 0.46972 17.6638
438 5KKA 6V0 0.00001443 0.50714 18.9103
439 1I0Z NAI 0.00007697 0.48553 23.1231
440 1CER NAD 0.0001247 0.48772 23.8671
441 3V1Y NAD 0.0001642 0.48268 26.7062
442 2I3G NAP 0.00000000007117 0.7213 38.0682
443 4DPL NAP 0.000000000005263 0.77399 43.7326
Pocket No.: 3; Query (leader) PDB : 2GZ3; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2gz3.bio1) has 47 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2GZ3; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2gz3.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2GZ3; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2gz3.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2GZ3; Ligand: NAP; Similar sites found: 7
This union binding pocket(no: 6) in the query (biounit: 2gz3.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YCH ATP 0.02168 0.40311 1.36612
2 3NKS ACJ 0.04174 0.40297 1.91257
3 2PHN GDP 0.01642 0.40603 2.75591
4 3U3Z SEP GLN GLU PTR 0.03667 0.42441 4.0201
5 2ZXI FAD 0.004463 0.40018 6.28415
6 1J0X NAD 0.0004395 0.40121 14.1566
7 2F2T 5IQ 0.04559 0.41982 14.2857
Pocket No.: 7; Query (leader) PDB : 2GZ3; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2gz3.bio3) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2GZ3; Ligand: NAP; Similar sites found: 131
This union binding pocket(no: 8) in the query (biounit: 2gz3.bio3) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1U9L ASN ARG PRO ILE LEU SER LEU 0.03459 0.41441 None
2 2O4C NAD 0.0001548 0.4342 1.36612
3 1MXH DHF 0.002053 0.40842 1.44928
4 1MXH NAP 0.002109 0.40799 1.44928
5 3WLE NAD 0.0003898 0.43235 1.46628
6 4L8V NAP 0.0003754 0.41899 1.48368
7 2NAD NAD 0.0005344 0.4261 1.63934
8 1H9A NAP 0.0006896 0.4208 1.63934
9 4CNK FAD 0.002364 0.40618 1.63934
10 3NJ4 NAD 0.004226 0.4375 1.91257
11 2WPF WPF 0.01624 0.40719 1.91257
12 2WPF FAD 0.01997 0.40218 1.91257
13 1KEW TYD 0.001224 0.42769 1.93906
14 1KEW NAD 0.001294 0.42765 1.93906
15 4D42 W0I 0.001314 0.42652 2.12766
16 4D42 NAP 0.001314 0.42652 2.12766
17 5BSH PRO 0.001893 0.40006 2.16606
18 1X14 NAD 0.005543 0.42884 2.18579
19 1GET NAP 0.008775 0.40607 2.18579
20 5AYV KPL 0.0007765 0.42023 2.26537
21 1NVT NAP 0.00007483 0.42174 2.43902
22 1R37 NAD 0.0007607 0.41927 2.59366
23 2FZW NAD 0.0008896 0.42718 2.68097
24 2PZM NAD 0.001515 0.41856 2.73224
25 2PZM UDP 0.001515 0.41856 2.73224
26 3LL5 IP8 0.02869 0.42039 2.81124
27 1Z6Z NAP 0.0009155 0.4059 2.83688
28 4J36 1HR 0.002094 0.41331 3.00546
29 1YKJ FAD 0.006327 0.40854 3.00546
30 4J36 FAD 0.001748 0.40359 3.00546
31 1G0N PHH 0.0006518 0.43008 3.18021
32 1G0N NDP 0.0007431 0.42458 3.18021
33 4E13 NAD 0.0001172 0.40373 3.18021
34 2DTX BMA 0.0003754 0.43664 3.27869
35 2YVF FAD 0.00692 0.40568 3.27869
36 2YVF NAD 0.007795 0.40432 3.27869
37 1B8U OAA 0.001757 0.40038 3.34347
38 2QZZ EMF 0.001185 0.41715 3.45912
39 2QZZ NAP 0.001102 0.41715 3.45912
40 1E7S NAP 0.0007935 0.41304 3.73832
41 1V8B NAD 0.0009735 0.41792 3.82514
42 4ZGS NAD 0.0001361 0.41581 3.82514
43 2WSB NAD 0.0004022 0.4367 3.93701
44 3C1O NAP 0.0001892 0.40916 4.04984
45 2AJH MET 0.04353 0.40695 4.08163
46 3ETG GLU 0.002726 0.41693 4.09836
47 1H82 GZZ 0.006271 0.40803 4.09836
48 1CF2 NAP 0.0001473 0.42071 4.1543
49 4KQW NAP 0.0006105 0.42271 4.28571
50 1F06 2NP 0.0008336 0.41784 4.375
51 1F06 NDP 0.0008336 0.41784 4.375
52 1XHL NDP 0.0006024 0.41783 4.3771
53 5IN4 NAP 0.01648 0.42259 4.3956
54 5IN4 6CK 0.01624 0.42259 4.3956
55 5IN4 GDP 0.0168 0.42138 4.3956
56 2V6G NAP 0.0005225 0.41637 4.3956
57 1YYE 196 0.02314 0.40599 4.47761
58 1BXG NAD 0.0005148 0.40611 4.49438
59 5K6A NAP 0.001048 0.40439 4.51389
60 1NFQ NAI 0.001031 0.40972 4.61538
61 4HXY NDP 0.00007271 0.44607 4.64481
62 1VM6 NAD 0.0001381 0.41728 4.82456
63 4EUE NAI 0.0007114 0.41507 4.91803
64 2E5V FAD 0.002362 0.41135 4.91803
65 3T31 DCQ 0.006156 0.40555 4.91803
66 3T31 FAD 0.005774 0.40516 4.91803
67 5N2I NAP 0.00007144 0.41557 5.17241
68 4ISS TAR 0.04731 0.40599 5.19126
69 3CTY FAD 0.00154 0.41927 5.32915
70 4XB2 HSE 0.000255 0.43091 5.37313
71 4XB2 NDP 0.0002303 0.40503 5.37313
72 2BRY FAD 0.002126 0.40065 5.46448
73 1ORR NAD 0.001461 0.40624 5.4755
74 5THQ NDP 0.0004599 0.41624 5.51471
75 1SB8 UD2 0.002884 0.41518 5.68182
76 1SB8 NAD 0.002567 0.41371 5.68182
77 1I2B NAD 0.001745 0.42518 5.7377
78 1MO9 FAD 0.01178 0.40594 5.7377
79 1MO9 KPC 0.01409 0.40329 5.7377
80 3B20 NAD 0.00003423 0.43567 5.8997
81 4YMU ATP 0.02815 0.41252 5.90909
82 1WDK NAD 0.0002391 0.40462 6.01093
83 2GAG FAD 0.003757 0.40568 6.06061
84 1PR9 NAP 0.0004002 0.42692 6.14754
85 4PIV NDP 0.0003141 0.4242 6.28415
86 1QO8 FAD 0.001749 0.41522 6.28415
87 3QWI CUE 0.001337 0.41851 6.2963
88 3QWI NAP 0.001234 0.40713 6.2963
89 4TQG NDP 0.0005902 0.4099 6.50155
90 1LDN NAD 0.0003294 0.42292 6.64557
91 1SAY PYR 0.0007051 0.42046 6.6482
92 1JA9 NDP 0.0008658 0.41174 6.93431
93 2V3A FAD 0.00335 0.40063 7.10383
94 1AE1 NAP 0.0005904 0.42079 7.32601
95 1JNR FAD 0.006129 0.41523 7.33333
96 3TN7 NJP 0.00008146 0.44515 7.393
97 2GDZ NAD 0.0006456 0.41058 7.49064
98 2BGM NAJ 0.0001826 0.41804 7.55396
99 2YYY NAP 0.001127 0.40008 7.58017
100 5JCM NAD 0.009176 0.40409 7.65027
101 5JCM FAD 0.009176 0.40409 7.65027
102 5JCM ISD 0.009843 0.40409 7.65027
103 2Q1S NAI 0.00286 0.40825 8.19672
104 1BXK NAD 0.0003558 0.41489 8.4507
105 1R6D NAD 0.0009594 0.43434 8.60534
106 1R6D DAU 0.0009494 0.43366 8.60534
107 4J1Q NDP 0.0002854 0.41708 8.74317
108 1H3F TYE 0.02011 0.42463 9.28962
109 3OID NDP 0.0005285 0.42244 9.30233
110 3LN9 FLC 0.02654 0.41123 9.35252
111 1DXY NAD 0.00007845 0.43022 9.60961
112 3AFN NAP 0.0007223 0.41763 9.68992
113 1EK6 UPG 0.003592 0.41387 9.77011
114 2EV9 NAP 0.00009729 0.44517 9.88593
115 5AEW BNL 0.02339 0.42095 10.1064
116 3NUG NAD 0.001525 0.40097 10.1215
117 3O26 NDP 0.0005308 0.41378 10.6109
118 1RM4 NDP 0.0001844 0.42202 10.6825
119 1EBF NAD 0.0001377 0.41416 11.1732
120 4RJD TFP 0.04759 0.4041 12.1212
121 4IDC NDP 0.001283 0.40834 12.9518
122 4IDC 1XX 0.001283 0.40834 12.9518
123 4JK3 NAD 0.00003679 0.44252 13.5135
124 4BVA T3 0.001444 0.41401 13.7313
125 2JL1 NAP 0.00007256 0.41295 14.2857
126 9LDT NAD 0.00009752 0.44059 14.4578
127 1GAD NAD 0.00003925 0.4416 14.8485
128 1EDO NAP 0.0003502 0.42629 16.3934
129 2DBZ NAP 0.0001698 0.42735 18.8623
130 3AD8 FAD 0.008528 0.40535 19.1919
131 2YY7 NAD 0.0002385 0.42784 20.1923
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