Receptor
PDB id Resolution Class Description Source Keywords
5FI3 1.05 Å EC: 7.-.-.- HETEROYOHIMBINE SYNTHASE THAS1 FROM CATHARANTHUS ROSEUS - CO NADP+ CATHARANTHUS ROSEUS HETEROYOHIMBINE SYNTHASE MEDIUM CHAIN DEHYDROGENASE/REDUCTADEPENDENT ENZYME ZINC BINDING SITE OXIDOREDUCTASE
Ref.: STRUCTURAL INVESTIGATION OF HETEROYOHIMBINE ALKALOI SYNTHESIS REVEALS ACTIVE SITE ELEMENTS THAT CONTROL STEREOSELECTIVITY. NAT COMMUN V. 7 12116 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:402;
B:403;
B:401;
A:403;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
EDO A:404;
B:404;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NAP B:402;
A:401;
Valid;
Valid;
Atoms found MORE than expected: % Diff = 2;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FI3 1.05 Å EC: 7.-.-.- HETEROYOHIMBINE SYNTHASE THAS1 FROM CATHARANTHUS ROSEUS - CO NADP+ CATHARANTHUS ROSEUS HETEROYOHIMBINE SYNTHASE MEDIUM CHAIN DEHYDROGENASE/REDUCTADEPENDENT ENZYME ZINC BINDING SITE OXIDOREDUCTASE
Ref.: STRUCTURAL INVESTIGATION OF HETEROYOHIMBINE ALKALOI SYNTHESIS REVEALS ACTIVE SITE ELEMENTS THAT CONTROL STEREOSELECTIVITY. NAT COMMUN V. 7 12116 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5FI3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 5FI3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5VKT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1YQD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1YQX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5H81 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 5FI3 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 5VKT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1YQD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 1YQX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 3TWO - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 127
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 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FI3; Ligand: NAP; Similar sites found: 350
This union binding pocket(no: 1) in the query (biounit: 5fi3.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1E5Q NDP 0.0005739 0.43218 1.40056
2 3MJE NDP 0.001763 0.41083 1.40056
3 5MZI FAD 0.01381 0.40114 1.40056
4 5MZI FYK 0.01432 0.40114 1.40056
5 1H82 GZZ 0.00363 0.42657 1.68067
6 1H82 FAD 0.004275 0.42003 1.68067
7 1Z82 NDP 0.001378 0.42048 1.79104
8 1F06 NDP 0.00006123 0.47205 1.875
9 1F06 2NP 0.00006123 0.47205 1.875
10 4CJX NAP 0.0001509 0.43493 1.88088
11 5L4S 6KX 0.0009596 0.42995 1.88679
12 5L4S NAP 0.0009596 0.42995 1.88679
13 4EDF UPG 0.002739 0.42218 1.96078
14 3FWN ATR 0.00178 0.41595 1.96078
15 1NVT NAP 0.000004774 0.48319 2.09059
16 5GZ6 NDP 0.0000696 0.49631 2.2409
17 5GZ6 7C3 0.0001223 0.47695 2.2409
18 3OJO NAD 0.0002138 0.46682 2.2409
19 4EUE NAI 0.001337 0.41811 2.2409
20 1YKJ PHB 0.007777 0.41349 2.2409
21 1YKJ FAD 0.007777 0.41349 2.2409
22 1RYD NDP 0.0145 0.41061 2.2409
23 1H6C NDP 0.01688 0.40776 2.2409
24 5MQ6 NDP 0.007032 0.40337 2.2409
25 1H6C SIN 0.02404 0.40302 2.2409
26 4PIV NDP 0.003217 0.40232 2.2409
27 1BXK NAD 0.002521 0.40211 2.25352
28 1U7T NAD 0.003773 0.40344 2.29885
29 4YCA NDP 0.0003401 0.44751 2.38095
30 3B1F NAD 0.009308 0.4008 2.41379
31 4BGB ADP 0.02243 0.40931 2.46154
32 3WXB NDP 0.001384 0.41075 2.50896
33 2GZ3 NAP 0.00003499 0.49931 2.52101
34 1GQ2 NAP 0.0002451 0.43952 2.52101
35 2Z3Y F2N 0.001609 0.42765 2.52101
36 1QMG APX 0.002229 0.42426 2.52101
37 3GD4 NAD 0.004492 0.41152 2.52101
38 3AYI FAD 0.006265 0.41096 2.52101
39 3AYI HCI 0.006542 0.41096 2.52101
40 5F7U GLC GLC 0.03724 0.40397 2.52101
41 1PS9 NAP 0.001498 0.40349 2.52101
42 1Q9I FAD 0.01246 0.40164 2.52101
43 1Q9I TEO 0.01246 0.40164 2.52101
44 1NVM NAD 0.0001906 0.44875 2.6087
45 1YJQ NAP 0.0000451 0.47561 2.64026
46 2PV7 NAD 0.0005533 0.43591 2.68456
47 2VT3 ATP 0.00002454 0.40649 2.7907
48 1OMO NAD 0.00001016 0.47252 2.79503
49 1NPD NAD 0.0002539 0.45984 2.80112
50 1VI2 NAD 0.000087 0.43004 2.80112
51 2E5V FAD 0.006501 0.40357 2.80112
52 3LL5 IP8 0.02801 0.41259 2.81124
53 1YS4 NAP 0.000145 0.42377 2.82486
54 1EZ4 NAD 0.0000336 0.4635 2.83019
55 1LDN NAD 0.0001081 0.45806 2.8481
56 1ORR NAD 0.004138 0.40069 2.88184
57 3I6I NDP 0.003558 0.40893 2.89017
58 4MDH NAD 0.0005205 0.42418 2.99401
59 5MDH NAD 0.0004307 0.44014 3.003
60 2CUL FAD 0.00127 0.42282 3.01724
61 2HJR APR 0.00002137 0.45422 3.04878
62 2AE2 PTO 0.003551 0.41105 3.07692
63 2AE2 NAP 0.003551 0.41105 3.07692
64 2ZAT NAP 0.002994 0.40216 3.07692
65 3V1Y NAD 0.0005068 0.44064 3.08123
66 4EMI NAD 0.005695 0.41777 3.08123
67 4OPC PGT 0.01962 0.4137 3.08123
68 4OPC FDA 0.02133 0.40926 3.08123
69 2B9W FAD 0.008643 0.40748 3.08123
70 3OA2 NAD 0.00221 0.40976 3.14465
71 5CAE SIN 0.0004514 0.43744 3.19489
72 5CAE COA 0.0001467 0.43311 3.19489
73 1M0S CIT 0.03646 0.40217 3.19635
74 2QHV OC9 0.03941 0.40039 3.33333
75 1EBF NAD 0.0001138 0.43582 3.35196
76 1MUU NAD 0.00007722 0.47695 3.36134
77 5DN9 NAD 0.0001097 0.46088 3.36134
78 1MV8 NAD 0.00006952 0.45187 3.36134
79 2ZB4 NAP 0.00008916 0.4301 3.36134
80 2ZB4 5OP 0.00009261 0.426 3.36134
81 1KEW NAD 0.004005 0.41806 3.36134
82 4HXY NDP 0.001399 0.41601 3.36134
83 5TTJ FAD 0.002906 0.41343 3.36134
84 1OBB NAD 0.005647 0.40452 3.36134
85 1U1I NAD 0.004356 0.40103 3.36134
86 2CVQ NDP 0.00009659 0.46179 3.36391
87 2ZB3 NDP 0.01094 0.40666 3.39943
88 3OJF IMJ 0.002657 0.41703 3.50195
89 3OJF NDP 0.002091 0.41449 3.50195
90 3VPH NAD 0.0003184 0.44322 3.54839
91 3VPH OXM 0.0004003 0.44213 3.54839
92 1CF2 NAP 0.0003269 0.42703 3.56083
93 4ZCC NAI 0.005065 0.41392 3.57143
94 4ZCC FAD 0.005065 0.41392 3.57143
95 1WMA NDP 0.002266 0.42175 3.62319
96 1WMA AB3 0.002266 0.42175 3.62319
97 1O6Z NAD 0.00002368 0.45931 3.63036
98 3KB6 NAD 0.00002868 0.48593 3.64146
99 5T9F TYR 0.0001109 0.46631 3.64146
100 5T9F NAP 0.0001498 0.45992 3.64146
101 2DC1 NAD 0.0005063 0.42466 3.64146
102 5T9E NAP 0.0004463 0.42461 3.64146
103 5MBX SP5 0.003367 0.42351 3.64146
104 5MBX FAD 0.003367 0.42351 3.64146
105 2I3G NAP 0.00007978 0.45635 3.69318
106 1X7D ORN 0.00003321 0.48663 3.71429
107 1X7D NAD 0.00002361 0.47771 3.71429
108 1V59 FAD 0.006012 0.40672 3.76569
109 3BY9 SIN 0.01515 0.42862 3.84615
110 1HYH NAD 0.000005051 0.4998 3.8835
111 1V8B NAD 0.00001285 0.50114 3.92157
112 3OND NAD 0.00003031 0.50072 3.92157
113 3OND ADN 0.00003031 0.50072 3.92157
114 4E5N NAD 0.00001485 0.49065 3.92157
115 3A06 NDP 0.0003418 0.44343 3.92157
116 3A06 FOM 0.0004002 0.44343 3.92157
117 2QRK AMP 0.0006517 0.43767 3.92157
118 3NGL NAP 0.001562 0.43766 3.92157
119 4XYB NDP 0.0001253 0.43371 3.92157
120 2B4R NAD 0.0008782 0.42366 3.92157
121 2QZZ NAP 0.001508 0.42232 3.92157
122 2QZZ EMF 0.001613 0.42232 3.92157
123 1DIG L37 0.001293 0.41999 3.92157
124 1DIG NAP 0.001269 0.41898 3.92157
125 2B4R AES 0.002223 0.40703 3.92157
126 1PZG A3D 0.00005786 0.47727 3.92749
127 4O0L NDP 0.0009337 0.41686 4
128 1MO9 KPC 0.01118 0.41547 4.20168
129 1MO9 FAD 0.01134 0.41469 4.20168
130 4EVQ PHB 0.01889 0.41311 4.20168
131 1TB4 PEJ 0.01534 0.40179 4.20168
132 2GLX NDP 0.0005733 0.4129 4.21687
133 4JK3 NAD 0.000002944 0.50054 4.2471
134 4MP8 NAD 0.006975 0.42427 4.42478
135 4MP8 MLI 0.006975 0.42427 4.42478
136 1J49 NAD 0.00002169 0.47868 4.48179
137 1LJ8 NAD 0.001284 0.43774 4.48179
138 1M2W NAD 0.001246 0.43482 4.48179
139 3ETG GLU 0.003134 0.424 4.48179
140 3ETG NDP 0.003559 0.42174 4.48179
141 3ETG GTP 0.002671 0.41987 4.48179
142 1E1M NAP 0.008895 0.4055 4.48179
143 1E1M FAD 0.008895 0.4055 4.48179
144 1ZMD FAD 0.006856 0.40265 4.48179
145 1ZMD NAI 0.001136 0.40244 4.48179
146 4IV9 FAD 0.006503 0.40072 4.48179
147 1UWK NAD 0.004264 0.41269 4.48833
148 1UWK URO 0.004264 0.41269 4.48833
149 2Q0L NAP 0.01126 0.41307 4.50161
150 1N5D NDP 0.001215 0.41833 4.51389
151 9LDB NAD 0.002811 0.43392 4.51807
152 9LDT NAD 0.002901 0.43334 4.51807
153 1UXG FUM 0.00803 0.42268 4.53074
154 1UXG NAD 0.00803 0.42268 4.53074
155 3HAD NAD 0.001898 0.42947 4.54545
156 5ITV NAI 0.00362 0.40038 4.70588
157 4OOE NDP 0.0004156 0.44406 4.7619
158 1CER NAD 0.0005871 0.43811 4.7619
159 1J0X NAD 0.0009877 0.43606 4.7619
160 1WP4 NDP 0.00005945 0.45927 4.84429
161 1C3V NDP 0.0174 0.4007 4.89796
162 4D42 W0I 0.001821 0.43107 4.96454
163 4D42 NAP 0.001821 0.43107 4.96454
164 1KYQ NAD 0.0001229 0.50022 5.04202
165 4D3F NAP 0.00007738 0.43452 5.04202
166 4KQW NAP 0.0007525 0.43029 5.04202
167 1BXG NAD 0.0004312 0.42382 5.04202
168 1U8X NAD 0.001865 0.41823 5.04202
169 4L8V NAP 0.001771 0.41075 5.04202
170 2C29 NAP 0.001567 0.41548 5.04451
171 3ZNN 4WL 0.008023 0.40953 5.18732
172 3ZNN FAD 0.008023 0.40953 5.18732
173 1I4D GDP 0.03739 0.4016 5.20833
174 5UAV NDP 0.00002875 0.48762 5.2795
175 5UAV TFB 0.00002875 0.48762 5.2795
176 1I36 NAP 0.0006118 0.40175 5.30303
177 4DPL NAP 0.00003956 0.47288 5.32213
178 2O4C NAD 0.0001116 0.45753 5.32213
179 4ZGS NAD 0.00008144 0.44344 5.32213
180 1YY5 FAD 0.001235 0.43321 5.32213
181 4WEY EG6 0.006188 0.4182 5.32213
182 2WPF FAD 0.02145 0.4083 5.32213
183 2WPF WPF 0.0232 0.40806 5.32213
184 3CMC NAD 0.004279 0.42628 5.38922
185 3WGT FAD 0.004031 0.41543 5.4755
186 3WGT QSC 0.004445 0.41457 5.4755
187 2CVZ NDP 0.0002094 0.45584 5.53633
188 4J4H NAI 0.00001779 0.50885 5.60224
189 4J4H 1J1 0.00001779 0.50885 5.60224
190 5M67 ADE 0.00008669 0.48345 5.60224
191 5M67 NAD 0.00008869 0.48305 5.60224
192 5M67 3D1 0.00009717 0.48145 5.60224
193 4XDY NAI 0.00008497 0.47135 5.60224
194 1PR9 NAP 0.003744 0.40235 5.60224
195 3D3W NAP 0.004221 0.40036 5.60224
196 3SJU NDP 0.002422 0.40155 5.73477
197 4CQM NAP 0.002918 0.40258 5.74713
198 1GUZ NAD 0.00001582 0.48339 5.80645
199 4R5M 4NO 0.000381 0.43737 5.88235
200 4R5M NAP 0.0003606 0.43352 5.88235
201 5U8U FAD 0.004047 0.42664 5.88235
202 1T26 GBD 0.04739 0.41709 5.90062
203 1T26 NAI 0.04739 0.41709 5.90062
204 4DFU QUE 0.03549 0.40279 5.90062
205 2A92 NAI 0.0001104 0.45927 5.919
206 2VYN NAD 0.0004367 0.43672 6.0423
207 2NAD NAD 0.0001161 0.46281 6.16247
208 3CGD NAD 0.002537 0.44197 6.16247
209 3CGD FAD 0.002537 0.44197 6.16247
210 3CGD COA 0.002537 0.44197 6.16247
211 2D2I NAP 0.002185 0.42462 6.16247
212 5E4R NAP 0.0007648 0.42132 6.16247
213 2RAB NAD 0.006472 0.41875 6.16247
214 2JB2 PHE 0.003712 0.4103 6.16247
215 2JB2 FAD 0.003494 0.4103 6.16247
216 2AHR NAP 0.001941 0.40547 6.16247
217 2RAB FAD 0.006875 0.40351 6.16247
218 4MO2 FDA 0.005462 0.40061 6.16247
219 3CTY FAD 0.004927 0.40928 6.26959
220 2WSB NAD 0.003301 0.4123 6.29921
221 4Q9N NAI 0.0006448 0.42873 6.37584
222 2BKX F6R 0.01614 0.4091 6.44258
223 4JDR FAD 0.00588 0.40342 6.44258
224 2V3A FAD 0.005019 0.4031 6.44258
225 2EV9 SKM 0.00008428 0.46372 6.46388
226 2EV9 NAP 0.00008428 0.46372 6.46388
227 3B20 NAD 0.001128 0.40159 6.48968
228 1SC6 NAD 0.000213 0.44843 6.68317
229 4ITU 1HS 0.004451 0.40916 6.69145
230 4KP7 NAP 0.001521 0.43244 6.72269
231 4KP7 1UQ 0.001309 0.43121 6.72269
232 1WDK NAD 0.0001129 0.43043 6.72269
233 3WQQ IB3 0.00211 0.42098 6.72269
234 3WQQ NDP 0.00211 0.42098 6.72269
235 1BZL FAD 0.02192 0.40832 6.72269
236 3WMX NAD 0.004818 0.40188 6.72269
237 5JE8 NAD 0.0002667 0.45526 7.0028
238 1VM6 NAD 0.0007144 0.41326 7.01754
239 2V3B FAD 0.005021 0.40203 7.27273
240 2GCG NDP 0.0002124 0.44239 7.28291
241 2IID FAD 0.01123 0.40209 7.28291
242 2IID PHE 0.01123 0.40209 7.28291
243 4J7U NAP 0.002389 0.41985 7.29167
244 4J7U YTZ 0.002389 0.41985 7.29167
245 4WNP 3RJ 0.02084 0.40371 7.31707
246 5N2I NAP 0.00001647 0.45233 7.75862
247 5U5G NAP 0.0001075 0.45328 7.79661
248 2F1K NAP 0.0001544 0.43963 7.84314
249 1QG6 NAD 0.00259 0.41945 7.84314
250 1QG6 TCL 0.00259 0.41945 7.84314
251 4XDZ NDP 0.000486 0.41847 7.84314
252 5AYV KPL 0.002013 0.41512 7.84314
253 5AYV NAP 0.0008548 0.40124 7.84314
254 4RDH AMP 0.0005095 0.4765 7.98611
255 2HK9 NAP 0.00001175 0.47948 8
256 2HK9 ATR 0.000001241 0.43975 8
257 2DBZ NAP 0.00001058 0.49054 8.08383
258 1RSG FAD 0.00127 0.4307 8.12325
259 3BAZ NAP 0.008496 0.40706 8.12325
260 5EPO NAP 0.002956 0.40237 8.12325
261 1BW9 NAD 0.0001459 0.42475 8.14607
262 1C1X NAD 0.0003659 0.42633 8.16901
263 2G5C NAD 0.001728 0.41115 8.18505
264 3O26 NDP 0.002292 0.40653 8.36013
265 4K28 NAD 0.00002436 0.49714 8.55019
266 5X20 NAD 0.001173 0.40446 8.65385
267 5G3U FDA 0.003271 0.41036 8.68347
268 5G3U ITW 0.005633 0.40696 8.68347
269 1P77 ATR 0.00008371 0.54637 8.82353
270 3NJ4 NAD 0.0002921 0.49837 8.96359
271 3NJ4 AFX 0.0002936 0.49827 8.96359
272 2DT5 NAD 0.000004474 0.51284 9.00474
273 4YSX FAD 0.002789 0.41518 9.04255
274 3SQP FAD 0.03921 0.41295 9.80392
275 5KKA 6V0 0.00009945 0.46099 9.9359
276 2GAG NAD 0.005429 0.40071 10
277 3CIF NAD 0.0004161 0.43133 10.0279
278 3CIF G3H 0.004496 0.40167 10.0279
279 4GUT FAD 0.001944 0.42725 10.084
280 4HSU FAD 0.001757 0.42711 10.084
281 4FWE FAD 0.001677 0.42694 10.084
282 1ZH8 NAP 0.0004566 0.42602 10.084
283 5CG1 NAD BBN 0.005853 0.41796 10.084
284 2CDC XYP 0.000002594 0.55984 10.3641
285 2CDC XYS 0.000003639 0.55372 10.3641
286 2CDC NAP 0.000003639 0.55372 10.3641
287 5VN0 NAI 0.003211 0.40888 10.3641
288 2VVM FAD 0.002041 0.4205 10.9244
289 1KOL NAD 0.01269 0.41207 10.9244
290 5A04 BGC 0.001508 0.44239 11.2045
291 5A04 NDP 0.001217 0.44239 11.2045
292 1X14 NAD 0.003625 0.43243 11.7647
293 1O8B ABF 0.03769 0.40142 12.0448
294 3B6Z CO7 0.003985 0.40008 12.0448
295 3QV1 NAD 0.00123 0.40459 12.1951
296 2VHW NAI 0.000468 0.4408 12.3249
297 5KMS NAD 0.004488 0.42064 12.3249
298 2F5Z FAD 0.00507 0.40786 12.5
299 3ABI NAD 0.00001781 0.48592 12.605
300 1NYT NAP 0.000006703 0.51972 12.9151
301 3GGO ENO 0.0005861 0.44289 13.3758
302 3GGO NAI 0.0005861 0.44289 13.3758
303 3GNE FLC 0.03301 0.40841 13.4921
304 1LSS NAD 0.001099 0.44428 14.2857
305 4BVA NDP 0.0000146 0.49093 15.5224
306 4BVA T3 0.00007231 0.47486 15.5224
307 3CH6 311 0.01056 0.40731 15.7343
308 3CH6 NAP 0.01056 0.40731 15.7343
309 4WAS NAP 0.00009811 0.46702 16.5266
310 1N9G NAP 0.0002415 0.45699 16.5266
311 4WAS COO 0.0005055 0.4395 16.5266
312 4XB2 HSE 0.00129 0.41871 16.5266
313 4XB2 NDP 0.000514 0.41115 16.5266
314 4B7X NAP 0.00003615 0.47927 17.2619
315 3OID NDP 0.001431 0.41831 17.8295
316 1K3T BRZ 0.001801 0.41449 17.9272
317 3AD8 NAD 0.00452 0.40042 19.2118
318 2DM6 IMN 0.0000317 0.49016 19.2192
319 2DM6 NAP 0.0001437 0.46324 19.2192
320 5DOZ NDP 0.000101 0.44458 19.8225
321 1FWV SGA MAG FUC 0.005512 0.45583 20.1493
322 2JHF NAD 0.0000003357 0.63654 20.4482
323 1PL6 572 0.000006791 0.50527 24.4382
324 1PL6 NAD 0.000002019 0.47874 24.4382
325 5DP2 NAP 0.0004259 0.42785 24.8538
326 4RQU NAD 0.00000002221 0.58974 25.7703
327 1YKF NAP 0.00001428 0.48953 25.7703
328 3QWB NDP 0.00008398 0.4622 25.7703
329 4JBI NDP 0.0000017 0.5068 27.7311
330 4RVU NDP 0.00006391 0.47134 28.3133
331 4IDC NDP 0.00002233 0.48726 28.6145
332 4IDC 1XX 0.00002233 0.48726 28.6145
333 1KEV NDP 0.000006277 0.50996 29.4118
334 1D1T NAD 0.000000005312 0.60067 31.3725
335 1YB5 NAP 0.000008369 0.47507 31.3725
336 1E3I CXF 0.00000004831 0.53906 32.2129
337 3GFB NAD 0.000007016 0.50972 32.2857
338 2DFV NAD 0.000002521 0.5084 32.5648
339 1CDO NAD 0.00000003508 0.57107 33.3333
340 1U3U NAD 0.00000002424 0.5147 33.8936
341 1U3U BNF 0.00000002424 0.5147 33.8936
342 2FZW NAD 0.000002412 0.53961 35.3887
343 1P0F NAP 0.00000001176 0.61016 36.7292
344 1R37 NAD 0.0001082 0.4976 37.1758
345 3JV7 NAD 0.000000003102 0.62735 38.5507
346 4W6Z 8ID 0.00002473 0.52773 40.6162
347 3WLE NAD 0.000000003674 0.63807 43.1085
348 1H2B NAJ 0.0005831 0.4653 43.1373
349 1LLU NAD 0.00000000004502 0.7071 45.614
350 4GKV NAD 0.000000000207 0.63128 47.3214
Pocket No.: 2; Query (leader) PDB : 5FI3; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5fi3.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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