Receptor
PDB id Resolution Class Description Source Keywords
1BXG 2.3 Å EC: 1.4.1.20 PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND BETA-PHENYLPROPIONATE RHODOCOCCUS SP. AMINO ACID DEHYDROGENASE OXIDATIVE DEAMINATION MECHANISM
Ref.: PHENYLALANINE DEHYDROGENASE FROM RHODOCOCCUS SP. M4: HIGH-RESOLUTION X-RAY ANALYSES OF INHIBITORY TERNARY COMPLEXES REVEAL KEY FEATURES IN THE OXIDATIVE DEAMINATION MECHANISM. BIOCHEMISTRY V. 38 2326 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HCI A:361;
B:761;
Valid;
Valid;
none;
none;
submit data
150.174 C9 H10 O2 c1ccc...
K B:850;
Part of Protein;
none;
submit data
39.098 K [K+]
NAD A:360;
B:760;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
PO4 B:900;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1BXG 2.3 Å EC: 1.4.1.20 PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND BETA-PHENYLPROPIONATE RHODOCOCCUS SP. AMINO ACID DEHYDROGENASE OXIDATIVE DEAMINATION MECHANISM
Ref.: PHENYLALANINE DEHYDROGENASE FROM RHODOCOCCUS SP. M4: HIGH-RESOLUTION X-RAY ANALYSES OF INHIBITORY TERNARY COMPLEXES REVEAL KEY FEATURES IN THE OXIDATIVE DEAMINATION MECHANISM. BIOCHEMISTRY V. 38 2326 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1BXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1BXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1BXG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HCI; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 HCI 1 1
2 CLT 0.666667 0.875
3 5PV 0.611111 0.823529
4 HPP 0.542857 0.666667
5 PPT 0.527778 0.875
6 S0W 0.527778 0.7
7 KPV 0.526316 0.619048
8 PAC 0.5 0.8
9 3EB 0.44186 0.736842
10 PPY 0.432432 0.631579
11 HFA 0.4 0.65
12 HF2 0.4 0.65
Ligand no: 2; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1BXG; Ligand: NAD; 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: 1bxg.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1BXG; Ligand: NAD; Similar sites found: 534
This union binding pocket(no: 2) in the query (biounit: 1bxg.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1FWV SGA MAG FUC 0.005429 0.44539 None
2 1P1C SAH 0.0007706 0.4389 None
3 3GRU AMP 0.001227 0.40856 None
4 2CVZ NDP 0.000002523 0.52572 1.03806
5 1ZH8 NAP 0.00009174 0.46664 1.17647
6 2X0K PPV 0.01685 0.41582 1.18343
7 4L8V NAP 0.00000546 0.51855 1.18694
8 4B9E FAH 0.02209 0.41175 1.3289
9 1NPD NAD 0.0007726 0.43536 1.38889
10 1VJT NAD 0.0003418 0.46573 1.40449
11 2IXB NAD 0.00002318 0.46243 1.40449
12 2IXB A2G 0.00004107 0.42007 1.40449
13 3V1U NAD 0.002616 0.41095 1.40449
14 2X6T NAP 0.001061 0.40914 1.40449
15 1I0Z NAI 0.000003171 0.50083 1.5015
16 2HJR APR 0.000005676 0.52677 1.52439
17 2CVQ NDP 0.00000181 0.51603 1.52905
18 2PK3 A2R 0.002663 0.42677 1.55763
19 2YY7 NAD 0.0001619 0.43271 1.60256
20 1EQ2 NAP 0.000705 0.41517 1.6129
21 5LKC FUC GLA A2G 0.02698 0.41531 1.62338
22 1RYI FAD 0.0001566 0.4759 1.68539
23 3L9W AMP 0.000212 0.42681 1.68539
24 2HIM ASN 0.01876 0.42024 1.68539
25 5E4R NAP 0.0007791 0.41899 1.68539
26 3L9W GSH 0.0008088 0.41672 1.68539
27 2ZB3 NDP 0.0009255 0.41641 1.69972
28 4XDZ NDP 0.001115 0.42566 1.74927
29 1LDN NAD 0.0000003538 0.56766 1.89873
30 5AYV KPL 0.00002843 0.49823 1.94175
31 5AYV NAP 0.00001739 0.47749 1.94175
32 3ICS ADP 0.000002335 0.59586 1.96629
33 3ICT ADP 0.000006804 0.57326 1.96629
34 2GSD NAD 0.0000007782 0.49031 1.96629
35 1GR0 NAD 0.000001902 0.48407 1.96629
36 3ICR FAD 0.0002267 0.46439 1.96629
37 2RGJ FAD 0.00005187 0.43947 1.96629
38 5EOW FAD 0.00004513 0.43526 1.96629
39 4USR FAD 0.001067 0.43197 1.96629
40 5JWC FAD 0.00007272 0.42689 1.96629
41 1RM0 NAI 0.000004117 0.42122 1.96629
42 1RM0 D6P 0.000007823 0.40332 1.96629
43 4R5M NAP 0.00231 0.40176 1.96629
44 1RYD NDP 0.000251 0.40167 1.96629
45 1YKF NAP 0.000008777 0.48536 1.98864
46 4TSK NDP 0.002694 0.40757 2
47 4ZNO SUC 0.00625 0.43473 2.08955
48 3BAZ NAP 0.000007189 0.51266 2.1021
49 5BSH PRO 0.0001502 0.42981 2.16606
50 1A5Z NAD 0.0000003841 0.58121 2.19436
51 1EZ4 NAD 0.0000003724 0.55814 2.20126
52 3SSO SAH 0.0007307 0.44733 2.24719
53 1UP7 NAD 0.0003566 0.43799 2.24719
54 3GMB FAD 0.0001328 0.42163 2.24719
55 5KVS NAP 0.00323 0.41021 2.24719
56 5I39 FAD 0.0001809 0.40155 2.24719
57 1UXG NAD 0.000001936 0.46234 2.26537
58 1ZEM NAD 0.0001474 0.45682 2.29008
59 1VI2 NAD 0.001015 0.43752 2.33333
60 1GEG NAD 0.0008991 0.41129 2.34375
61 4GLL NAD 0.002724 0.41437 2.37389
62 2C29 NAP 0.001906 0.4039 2.37389
63 3O03 NAP 0.002011 0.41253 2.4055
64 3QV1 NAD 0.0000008898 0.54869 2.43902
65 2JL1 NAP 0.002553 0.42068 2.43902
66 4D42 W0I 0.01254 0.40384 2.48227
67 4D42 NAP 0.01254 0.40384 2.48227
68 1E7S NAP 0.00301 0.41263 2.49221
69 3R51 MMA 0.009587 0.40696 2.5
70 2CDU ADP 0.00001089 0.54301 2.52809
71 1MV8 NAD 0.0000009565 0.54216 2.52809
72 1EBF NAD 0.0000008623 0.53291 2.52809
73 1MUU NAD 0.000002626 0.53003 2.52809
74 1X14 NAD 0.00004396 0.51542 2.52809
75 1P31 EPU 0.0001619 0.48466 2.52809
76 3UCL NAP 0.0007936 0.46735 2.52809
77 3UCL FAD 0.0008003 0.46507 2.52809
78 3UCL CYH 0.0008003 0.46507 2.52809
79 1VKO NAD 0.00001739 0.46133 2.52809
80 5VN0 NAI 0.0004662 0.43731 2.52809
81 2CDU FAD 0.00003088 0.43254 2.52809
82 5VN0 FAD 0.00002484 0.42771 2.52809
83 1P3D UMA 0.001223 0.42096 2.52809
84 2B5W NAP 0.0001333 0.41987 2.52809
85 1QMG APX 0.002287 0.41943 2.52809
86 3A06 NDP 0.0002192 0.41525 2.52809
87 3A06 FOM 0.0002726 0.40528 2.52809
88 4EMI FAD 0.0001474 0.40442 2.52809
89 1TDF NAP 0.00251 0.44664 2.53165
90 1TDF FAD 0.001104 0.44587 2.53165
91 2YGM GLA NAG GAL FUC 0.02762 0.40478 2.54237
92 1O6Z NAD 0.00001065 0.5106 2.64026
93 4B7X NAP 0.00008611 0.43366 2.67857
94 2AE2 NAP 0.001212 0.43808 2.69231
95 1HDG NAD 0.000003059 0.5274 2.71084
96 4IDC NDP 0.001389 0.42738 2.71084
97 4IDC 1XX 0.001389 0.42738 2.71084
98 1PZG A3D 0.00001443 0.44276 2.71903
99 1B8U NAD 0.00003725 0.50267 2.73556
100 1B8U OAA 0.0001892 0.42735 2.73556
101 2D5A COA 0.004899 0.40577 2.77778
102 3ORF NAD 0.000284 0.43409 2.78884
103 2YVF NAD 0.0003052 0.48102 2.80899
104 2YVF FAD 0.0002924 0.48102 2.80899
105 3NTD FAD 0.0002307 0.46534 2.80899
106 1LJ8 NAD 0.0002773 0.46119 2.80899
107 1M2W NAD 0.000372 0.45194 2.80899
108 1Z45 NAD 0.0001995 0.43411 2.80899
109 3WMX NAD 0.0006991 0.43044 2.80899
110 1XHC FAD 0.00005883 0.42545 2.80899
111 1GPM CIT 0.02855 0.40939 2.80899
112 1H6C NDP 0.0002742 0.40061 2.80899
113 1F06 NDP 0.001209 0.40225 2.8125
114 2J8Z NAP 0.002269 0.41345 2.82486
115 1X7D NAD 0.000006684 0.49436 2.85714
116 1X7D ORN 0.00000727 0.44671 2.85714
117 5KVA SAM 0.0003456 0.45717 2.8777
118 3VPH OXM 0.0000003555 0.50094 2.90323
119 3VPH NAD 0.000001339 0.49338 2.90323
120 1Y1P NMN AMP PO4 0.002118 0.4208 2.92398
121 1R6D NAD 0.0005355 0.46465 2.96736
122 1R6D DAU 0.0005348 0.46379 2.96736
123 3KB6 NAD 0.00000154 0.52552 2.99401
124 1V6A TRE 0.0001143 0.53731 3.01205
125 1SOW NAD 0.000005095 0.48211 3.04878
126 1GQ2 NAP 0.000001203 0.52256 3.08989
127 3ABI NAD 0.000001069 0.5175 3.08989
128 2WPF WPF 0.0005595 0.48842 3.08989
129 2WPF FAD 0.0005583 0.48689 3.08989
130 1ZMD NAI 0.00006291 0.47525 3.08989
131 4A0S NAP 0.0001415 0.43742 3.08989
132 5K6A NAP 0.002344 0.41429 3.125
133 3JQG NAP 0.002726 0.40268 3.125
134 3JQA NAP 0.002955 0.40135 3.125
135 4CLO NAP 0.002996 0.40125 3.125
136 4CMI NAP 0.002304 0.40108 3.125
137 3JQB NAP 0.003087 0.40067 3.125
138 4CME NAP 0.002453 0.40001 3.125
139 2Q46 NAP 0.001305 0.40992 3.16206
140 4HXY NDP 0.0002277 0.42873 3.19635
141 2F1K NAP 0.0000006535 0.54861 3.22581
142 1HYH NAD 0.000001204 0.50761 3.23625
143 3B20 NAD 0.000002946 0.53318 3.24484
144 3B1J NAD 0.0000008962 0.51866 3.24484
145 4GKV NAD 0.000006622 0.4646 3.27381
146 1PR9 NAP 0.0007676 0.43772 3.27869
147 1KYQ NAD 0.000003327 0.56645 3.28467
148 1DRV A3D 0.000444 0.4526 3.2967
149 4ITU NAI 0.0005259 0.40613 3.34572
150 4IF4 BEF 0.002907 0.45748 3.36538
151 3OJO NAD 0.000003282 0.53658 3.37079
152 1V59 NAD 0.0001452 0.50859 3.37079
153 1MO9 FAD 0.0001367 0.5073 3.37079
154 1MO9 KPC 0.0001513 0.50599 3.37079
155 1PS9 FAD 0.0001341 0.47869 3.37079
156 4J36 FAD 0.00001234 0.45936 3.37079
157 1PS9 NAP 0.0001494 0.45659 3.37079
158 1K3T BRZ 0.00007236 0.43596 3.37079
159 3RFV NAI 0.0005552 0.42906 3.37079
160 1GY8 NAD 0.00022 0.42736 3.37079
161 3RFV 15L 0.0009798 0.42472 3.37079
162 5TUF FAD 0.0002259 0.42388 3.37079
163 3DAG FEG 0.00093 0.42168 3.37079
164 3M89 GSP 0.01519 0.41015 3.37079
165 2ZXI FAD 0.0002097 0.40404 3.37079
166 4J36 1HR 0.00003087 0.40318 3.37079
167 2Q0L NAP 0.002401 0.44042 3.53698
168 4D3F NAP 0.000001485 0.55655 3.54839
169 4MDH NAD 0.00003226 0.47621 3.59281
170 1J49 NAD 0.000001749 0.51581 3.6036
171 5MDH NAD 0.0000396 0.47288 3.6036
172 2VYN NAD 0.000004888 0.50021 3.62538
173 1GAD NAD 0.000004101 0.5175 3.63636
174 2GCG NDP 0.000005573 0.49814 3.63636
175 5JE8 NAD 0.00000009658 0.58699 3.64238
176 1LDM NAD 0.000004287 0.49596 3.64742
177 2Q1S NAI 0.0001165 0.48356 3.65169
178 2Y6Q FAD 0.00001527 0.46209 3.65169
179 1OBB NAD 0.0001918 0.45983 3.65169
180 2DKH FAD 0.00006846 0.43595 3.65169
181 3MJE NDP 0.00107 0.42778 3.65169
182 1VQW FAD 0.0001142 0.42739 3.65169
183 2GVC FAD 0.000115 0.42723 3.65169
184 2GV8 FAD 0.0001266 0.42107 3.65169
185 2GV8 NDP 0.002081 0.41795 3.65169
186 1U8X NAD 0.001788 0.41453 3.65169
187 2V3A FAD 0.00007996 0.41305 3.65169
188 4RSL FAD 0.0001298 0.4125 3.65169
189 3AXB FAD 0.0001481 0.40789 3.65169
190 1KJ1 MAN 0.03484 0.40084 3.66972
191 3Q3C NAD 0.000006244 0.51999 3.67893
192 3FG2 FAD 0.0001688 0.4226 3.71287
193 5UAV NDP 0.00001381 0.44594 3.72671
194 5UAV TFB 0.00001381 0.44594 3.72671
195 1WDI CIT 0.03209 0.40629 3.76812
196 3B1F NAD 0.000002476 0.54723 3.7931
197 2QLU ADE 0.03131 0.40272 3.82166
198 3ITJ CIT 0.0122 0.42274 3.84615
199 1GUZ NAD 0.000004871 0.5186 3.87097
200 4BVA NDP 0.0001236 0.46651 3.8806
201 4BVA T3 0.0002804 0.46188 3.8806
202 1EJ0 SAM 0.009841 0.40507 3.88889
203 1DSS NAD 0.000002045 0.53434 3.9039
204 4XZ3 COA 0.002076 0.42116 3.91304
205 2BH9 NAP 0.0009361 0.45946 3.93258
206 4X1B MLI 0.01194 0.42068 3.93258
207 3AB1 FAD 0.00003731 0.4125 3.93258
208 2EG5 SAH 0.01918 0.40163 3.93258
209 2NXE SAM 0.005998 0.41469 3.93701
210 1YJQ NAP 0.00003841 0.44529 3.9604
211 3FZG SAM 0.009969 0.41159 4
212 4TQG NDP 0.001732 0.40661 4.02477
213 1ORR NAD 0.0004277 0.41012 4.03458
214 3H9E NAD 0.000006576 0.5095 4.04624
215 5T9E NAP 0.0000933 0.46456 4.05904
216 5T9F NAP 0.00003892 0.4296 4.05904
217 5T9F TYR 0.00003446 0.42618 4.05904
218 3HVJ 705 0.000948 0.43906 4.0724
219 3GJ5 GDP 0.01439 0.41131 4.0724
220 3GJ0 GDP 0.01205 0.40773 4.0724
221 3PUN FUC GAL NDG FUC 0.008054 0.44305 4.11392
222 3OFK SAH 0.008285 0.41179 4.16667
223 4XB2 HSE 0.000001041 0.55094 4.1791
224 4XB2 NDP 0.0000001893 0.55026 4.1791
225 1Z82 NDP 0.0004678 0.43217 4.1791
226 2VHW NAI 0.00000139 0.55294 4.21348
227 4OOE NDP 0.0001829 0.45316 4.21348
228 4MIG G3F 0.001482 0.44232 4.21348
229 5MQ6 NDP 0.0007306 0.43986 4.21348
230 4NTD FAD 0.00007444 0.41155 4.21348
231 2GLX NDP 0.002387 0.41554 4.21687
232 1NFQ NAI 0.001416 0.42572 4.23077
233 2DC1 NAD 0.00001238 0.49133 4.23729
234 1JAY NAP 0.001006 0.43768 4.24528
235 1WPQ NAD 0.000158 0.46726 4.29799
236 1W73 NAP 0.0009786 0.43121 4.30464
237 1W8D NAP 0.001246 0.42697 4.30464
238 2Q7V FAD 0.00004369 0.40738 4.30769
239 4W6Z 8ID 0.00004496 0.49163 4.32277
240 1P77 ATR 0.000006109 0.60075 4.41176
241 1CF2 NAP 0.00000161 0.53334 4.45104
242 2VOH CIT 0.03022 0.40858 4.4586
243 3L4S NAD 0.000002244 0.49158 4.46429
244 3L4S 3PG 0.000002488 0.48385 4.46429
245 2NAD NAD 0.000001295 0.5525 4.49438
246 4EIP K2C 0.00005767 0.4997 4.49438
247 4EIP FAD 0.00005868 0.49712 4.49438
248 1DJN ADP 0.00002993 0.49703 4.49438
249 1U1I NAD 0.000006854 0.46419 4.49438
250 2X3N FAD 0.00001248 0.43909 4.49438
251 4J1Q NDP 0.001444 0.41969 4.49438
252 4G74 FAD 0.0001485 0.41414 4.49438
253 2GZ3 NAP 0.0005148 0.40611 4.49438
254 1EDO NAP 0.0006258 0.40873 4.5082
255 1J0X NAD 0.00001509 0.41548 4.51807
256 5GT9 NAP 0.0004425 0.41757 4.56274
257 3WBF NAP 0.0001846 0.44235 4.59016
258 3WBF API 0.0007697 0.40241 4.59016
259 1W6U NAP 0.00448 0.40446 4.63576
260 2B4R NAD 0.000002945 0.49549 4.63768
261 2B4R AES 0.000008528 0.4841 4.63768
262 1OMO NAD 0.000003975 0.52791 4.65839
263 4EMJ FAD 0.0001562 0.40033 4.6729
264 3NGL NAP 0.00302 0.42093 4.71014
265 4IJ6 SEP 0.03571 0.40315 4.73934
266 3CBG SAH 0.001306 0.44838 4.74138
267 1AE1 NAP 0.0008807 0.43532 4.7619
268 2BRY FAD 0.000072 0.47896 4.77528
269 4TXI FAD 0.00003639 0.44906 4.77528
270 3LU1 NAD 0.001227 0.40618 4.77528
271 5THQ NDP 0.0007438 0.43404 4.77941
272 4PLG NAI 0.000007097 0.4526 4.79042
273 1NYT NAP 0.0004668 0.44068 4.79705
274 2Q1W NAD 0.0004144 0.412 4.8048
275 3G89 SAM 0.002632 0.44282 4.81928
276 1KEV NDP 0.000001583 0.48696 4.8433
277 3EGI ADP 0.005647 0.44524 4.85437
278 1VL8 NAP 0.0003928 0.41228 4.86891
279 5GZ6 NDP 0.0007161 0.44771 4.90798
280 5GZ6 7C3 0.001118 0.43224 4.90798
281 1RP0 AHZ 0.00008383 0.47478 4.92958
282 4E13 NAD 0.00005172 0.49657 4.947
283 1LLU NAD 0.000002972 0.47477 4.97076
284 3AFN NAP 0.004236 0.40792 5.03876
285 5FI3 NAP 0.0004312 0.42382 5.04202
286 1RM4 NDP 0.000005167 0.51562 5.04451
287 4TM3 FAD 0.0007905 0.46742 5.05618
288 4K5S FAD 0.00001759 0.45467 5.05618
289 1F8G NAD 0.0005808 0.4477 5.05618
290 1L7E NAI 0.0008242 0.43422 5.05618
291 1YQD NAP 0.0002471 0.41866 5.05618
292 1JG3 ADN 0.009961 0.40483 5.10638
293 2I3G NAP 0.0003185 0.42519 5.11364
294 3LZW FAD 0.00001599 0.43152 5.12048
295 2CUL FAD 0.000186 0.41231 5.17241
296 3TWO NDP 0.0002321 0.41163 5.17241
297 5D4V SAH 0.00003485 0.49901 5.22388
298 1VM6 NAD 0.00005638 0.46793 5.26316
299 1BZL FAD 0.00059 0.48632 5.33708
300 4XYB NDP 0.00001279 0.45465 5.33708
301 2B9W FAD 0.001381 0.44872 5.33708
302 4PIV NDP 0.001236 0.42671 5.33708
303 3G5S FAD 0.0002044 0.40229 5.33708
304 2RBK VN4 0.004251 0.45755 5.36398
305 1E3W NAD 0.001141 0.4078 5.36398
306 4YMH SAH 0.008171 0.40237 5.41667
307 1X87 NAD 0.00001084 0.5152 5.44465
308 3TN7 NJP 0.0005989 0.41355 5.44747
309 1Y8Q ATP 0.0002116 0.45811 5.49133
310 4JJF FE9 0.0004884 0.43113 5.52326
311 4JJF N2I 0.0005556 0.41914 5.52326
312 1L1E SAH 0.0058 0.41534 5.57491
313 3LXD FAD 0.0001244 0.4723 5.61798
314 3S5W FAD 0.00006872 0.44554 5.61798
315 3IHG FAD 0.0004178 0.42848 5.61798
316 1YB5 NAP 0.0005231 0.40739 5.61798
317 3S5W NAP 0.01406 0.40461 5.61798
318 3GFB NAD 0.000002209 0.51974 5.71429
319 5CAE COA 0.0000389 0.48786 5.7508
320 5CAE SIN 0.00008842 0.43127 5.7508
321 1UAY ADN 0.002029 0.44821 5.78512
322 1GV0 NAD 0.000004662 0.49447 5.80645
323 5ITV NAI 0.0001553 0.43345 5.88235
324 2IZ1 ATR 0.00007416 0.54617 5.89888
325 3CIF NAD 0.000002029 0.53359 5.89888
326 5H81 NAP 0.00001179 0.51877 5.89888
327 3CIF G3H 0.00002086 0.50368 5.89888
328 1F8F NAD 0.00003011 0.48796 5.89888
329 3NT6 FAD 0.0005247 0.45074 5.89888
330 5BUK FAD 0.00004788 0.40047 5.89888
331 1ELI PYC 0.002836 0.42074 5.9126
332 1JNR FAD 0.00105 0.46527 6
333 5LOG SAH 0.002152 0.43082 6.00858
334 9LDB NAD 0.0000004212 0.52413 6.0241
335 9LDT NAD 0.0000004784 0.52203 6.0241
336 5E5U MLI 0.02814 0.40327 6.03015
337 2DFV NAD 0.000001993 0.52192 6.05187
338 1XHL NDP 0.002944 0.41302 6.06061
339 5VKT NAP 0.0004011 0.42525 6.07735
340 5X20 NAD 0.00001414 0.50099 6.08974
341 1ZBQ NAD 0.0008003 0.40499 6.11621
342 2BZ1 TAU 0.008575 0.43409 6.12245
343 1WDK NAD 0.00007375 0.48089 6.15385
344 4JK3 NAD 0.0000002623 0.56407 6.17761
345 1P0F NAP 0.000006956 0.47575 6.17978
346 4L6H HCS 0.006207 0.44517 6.17978
347 2FR1 NDP 0.0002867 0.42087 6.17978
348 3CGB FAD 0.0001498 0.4103 6.17978
349 3F8D FAD 0.002078 0.45026 6.19195
350 1BXK NAD 0.0003216 0.43205 6.19718
351 1E6E FAD 0.0003892 0.40079 6.25
352 3DUW SAH 0.0065 0.40981 6.27803
353 1R37 NAD 0.00008143 0.4783 6.34006
354 1CER NAD 0.000001358 0.53622 6.34441
355 2YYY NAP 0.00002064 0.47693 6.41399
356 1XG5 NAP 0.001126 0.40406 6.45161
357 1PL6 NAD 0.000001209 0.56641 6.46067
358 1PL6 572 0.000008406 0.47224 6.46067
359 2XVF FAD 0.000133 0.40965 6.46067
360 1TB4 PEJ 0.001329 0.40602 6.46067
361 1Q1R FAD 0.0002226 0.40259 6.46067
362 3H8V ATP 0.000003044 0.56159 6.50685
363 4D79 ATP 0.00001304 0.53343 6.52174
364 2A92 NAI 0.000006528 0.47855 6.54206
365 5AHO TLA 0.01321 0.4158 6.54762
366 1LTH NAD 0.000000535 0.56314 6.58307
367 4RDH AMP 0.00001933 0.53783 6.59722
368 4RDI ATP 0.00005359 0.50607 6.59722
369 5KKA 6V0 0.000005385 0.47891 6.73077
370 1CDO NAD 0.00001401 0.49668 6.74157
371 1U3U NAD 0.000004679 0.43391 6.74157
372 1U3U BNF 0.000004679 0.43391 6.74157
373 2FZW NAD 0.00001438 0.42054 6.74157
374 3WLE NAD 0.000007592 0.45465 6.74487
375 2J73 GLC GLC GLC GLC 0.004696 0.45493 6.79612
376 1RZ1 NAD 0.03859 0.40156 6.8323
377 2BGM NAJ 0.0005649 0.43405 6.83453
378 2AG8 NAP 0.00002463 0.51036 6.84411
379 2DBZ NAP 0.0000007279 0.55113 6.88623
380 2FKA BEF 0.003746 0.45737 6.97674
381 1O0S NAI 0.000009029 0.51847 7.02247
382 4RQU NAD 0.000001883 0.51629 7.02247
383 3ULK NDP 0.0007457 0.44314 7.02247
384 3FGZ BEF 0.02042 0.41181 7.03125
385 2GDZ NAD 0.001199 0.42582 7.11611
386 1BDB NAD 0.0001657 0.42395 7.22022
387 1WP4 NDP 0.0000004232 0.54686 7.26644
388 3GEG NAD 0.001911 0.40842 7.28745
389 4ZGS NAD 0.0000007462 0.53352 7.30337
390 1D1T NAD 0.0000002323 0.52774 7.30337
391 4USQ FAD 0.0004755 0.44743 7.30337
392 4DPL NAP 0.001538 0.40536 7.30337
393 1LUA NAP 0.0005495 0.45263 7.31707
394 1NVT NAP 0.0003465 0.44945 7.31707
395 2YVJ NAI 0.0001647 0.48433 7.33945
396 2NUO BGC 0.001716 0.46756 7.37705
397 2GUE NAG 0.001035 0.46319 7.37705
398 2GUD BMA 0.002679 0.44611 7.37705
399 2NU5 NAG 0.003371 0.44157 7.37705
400 2HYR BGC GLC 0.003156 0.44136 7.37705
401 2GUD MAN 0.003881 0.43343 7.37705
402 2GUC MAN 0.004623 0.42713 7.37705
403 1G0N PHH 0.001877 0.4313 7.42049
404 1G0N NDP 0.001613 0.43078 7.42049
405 2OOR NAD 0.0005416 0.44898 7.47126
406 5L95 AMP 0.000004692 0.54706 7.5
407 4KOA NDP 0.0008591 0.45666 7.50751
408 2HNK SAH 0.004697 0.4127 7.53138
409 3OA2 NAD 0.00003927 0.465 7.54717
410 3LAD FAD 0.0001058 0.48413 7.58427
411 4XDY NAI 0.0005093 0.43581 7.69231
412 4XDA RIB 0.0275 0.40106 7.76699
413 5U5G NAP 0.000001836 0.51451 7.79661
414 1DXY NAD 0.000001554 0.53393 7.80781
415 5LD5 NAD 0.0000008781 0.56017 7.86517
416 4XQC NAD 0.0000004171 0.45327 7.86517
417 4XQC 13D 0.0000007585 0.44184 7.86517
418 1PJS NAD 0.0001532 0.41883 7.86517
419 5G3U FDA 0.0001371 0.40438 7.86517
420 2PZM UDP 0.00125 0.44066 7.87879
421 2PZM NAD 0.00125 0.44066 7.87879
422 2VT3 ATP 0.0000001108 0.49255 7.90698
423 1YS4 NAP 0.0009349 0.43902 7.9096
424 1H5Q NAP 0.001314 0.40549 7.92453
425 1HYE NAP 0.0001745 0.46548 7.98722
426 2D2I NAP 0.000002359 0.53708 8.14607
427 2NVK NAP 0.001516 0.47521 8.14607
428 5TUK FAD 0.0006474 0.4264 8.14607
429 4K28 NAD 0.000001375 0.54119 8.17844
430 2BD0 NAP 0.0005818 0.40933 8.19672
431 2DKN NAI 0.00217 0.40174 8.23529
432 3DXY SAM 0.01744 0.40722 8.25688
433 2NU8 COA 0.00006004 0.47203 8.33333
434 4ZRN NAD 0.0003521 0.40625 8.33333
435 1T26 NAI 0.00000381 0.43935 8.38509
436 4NBU NAI 0.0003902 0.41967 8.4
437 3NJ4 NAD 0.0000164 0.56651 8.42697
438 3NJ4 AFX 0.0000543 0.5423 8.42697
439 2O4C NAD 0.00000154 0.54226 8.42697
440 1KOL NAD 0.000003497 0.46585 8.42697
441 4CJX NAP 0.0003 0.44831 8.42697
442 2QA1 FAD 0.00002689 0.43952 8.42697
443 1O5I NAD 0.003964 0.41921 8.43373
444 1SAY PYR 0.00003115 0.44592 8.58726
445 3KLJ FAD 0.0000344 0.44584 8.70786
446 3OND ADN 0.000003702 0.41951 8.70786
447 3OND NAD 0.000003702 0.41951 8.70786
448 1I36 NAP 0.0001981 0.43899 8.71212
449 2PV7 NAD 0.000007729 0.49929 8.72483
450 4E5N NAD 0.0000002322 0.53321 8.78788
451 5DN9 NAD 0.000000157 0.52567 8.98876
452 5HV7 RBL 0.002174 0.43814 8.98876
453 4EUE NAI 0.000238 0.42195 8.98876
454 1UWK NAD 0.00001093 0.40912 8.98876
455 1UWK URO 0.00001093 0.40912 8.98876
456 1N1G BCP 0.0003965 0.40333 8.98876
457 2WSB NAD 0.001626 0.43282 9.05512
458 1O94 ADP 0.00001898 0.50046 9.0625
459 5O4J PJL 0.000151 0.4252 9.12409
460 5O4J SAH 0.0001619 0.41978 9.12409
461 5O4J 9KH 0.0001619 0.41978 9.12409
462 4MP8 NAD 0.00003546 0.42872 9.14454
463 4YCA NDP 0.0000267 0.48576 9.18367
464 3JV7 NAD 0.00001137 0.48016 9.27536
465 3MB5 SAM 0.004032 0.40927 9.41177
466 4FN4 NAD 0.0008672 0.4122 9.44882
467 1HKU NAD 0.0000007268 0.51579 9.49721
468 4OSP NAP 0.001824 0.40539 9.5057
469 3GD4 NAD 0.0001607 0.46696 9.55056
470 3GD4 FAD 0.0001039 0.41388 9.55056
471 4JBI NDP 0.004899 0.40011 9.55056
472 3C3Y SAH 0.01021 0.40121 9.70464
473 3V1Y NAD 0.000002726 0.52442 9.79228
474 1H2B NAJ 0.0000009646 0.50105 10.1124
475 1SC6 NAD 0.000003428 0.48624 10.1124
476 1E3I CXF 0.000001468 0.47639 10.1124
477 3HWW AKG 0.0172 0.40049 10.1124
478 1DLJ NAI 0.00001165 0.40263 10.199
479 3EGV SAH 0.01208 0.4043 10.2041
480 3SJ7 NDP 0.0008664 0.41712 10.3175
481 1E5Q NDP 0.00007106 0.45699 10.3933
482 2AHR NAP 0.0008151 0.41344 10.4247
483 1C3V NDP 0.00001201 0.47226 10.6122
484 3SQP FAD 0.002916 0.47338 10.6742
485 5N2I NAP 0.000228 0.46899 10.7759
486 3WV8 ATP 0.000001949 0.56372 11.4679
487 4CQM NAP 0.0009099 0.41144 11.4754
488 1FEC FAD 0.00009963 0.48973 11.5169
489 1LVL NAD 0.0003138 0.46305 11.7978
490 5M67 NAD 0.000004922 0.41339 11.7978
491 5M67 ADE 0.000004904 0.41315 11.7978
492 5M67 3D1 0.000005501 0.41291 11.7978
493 2JAH NDP 0.001135 0.40298 12.1457
494 2IVD FAD 0.0002618 0.4053 12.3596
495 3NUG NAD 0.001304 0.42579 12.5506
496 1V8B NAD 0.0000009208 0.48228 12.9213
497 2JAP NDP 0.0008565 0.40782 12.9555
498 1OIK AKG 0.04129 0.40007 13.289
499 2EV9 SKM 0.00008454 0.43845 13.6882
500 2EV9 NAP 0.00008454 0.43845 13.6882
501 4J4H 1J1 0.0000009046 0.43766 13.8996
502 4J4H NAI 0.0000009046 0.43766 13.8996
503 3AD8 NAD 0.00005994 0.48367 14.1414
504 3AD8 FAD 0.002016 0.44821 14.1414
505 2HK9 ATR 0.00001171 0.56932 14.1818
506 2HK9 NAP 0.00005632 0.47312 14.1818
507 1J5P NAD 0.000001361 0.52785 14.2292
508 1NVM NAD 0.00002905 0.46012 14.7826
509 2GAG NAD 0.00006682 0.41885 15.1515
510 3GGO NAI 0.00001251 0.42428 15.2866
511 3GGO ENO 0.00001251 0.42428 15.2866
512 2G5C NAD 0.000005018 0.49229 15.3025
513 5TQZ GLC 0.005457 0.44757 15.3333
514 1ZQ9 SAM 0.002235 0.43383 15.4386
515 1LSS NAD 0.00003083 0.50619 17.1429
516 2BOS GLA GAL GLC NBU 0.01608 0.42036 17.6471
517 2BOS GLA GAL GLC 0.02333 0.40543 17.6471
518 2HMT NAI 0.00005706 0.49002 18.0556
519 2F5Z FAD 0.0002575 0.46922 18.75
520 2DT5 NAD 0.00000138 0.52003 18.9573
521 1VBO MAN MAN MAN 0.02565 0.41049 21.4765
522 3GJ8 GDP 0.01289 0.41366 21.7391
523 5N53 8NB 0.006646 0.44423 23.0769
524 5GUD NDP 0.0000002626 0.48464 23.3546
525 5GUD 2IT 0.000001269 0.47511 23.3546
526 5GUD CIT 0.00000932 0.45396 23.3546
527 3GJ7 GDP 0.01475 0.41469 23.4694
528 2V3B FAD 0.0001145 0.41333 23.6364
529 4II2 ATP 0.0001619 0.47536 24.0964
530 5OFW 9TW 0.007415 0.44186 25.1121
531 2EWM NAD 0.0001976 0.42919 30.1205
532 3ETG GTP 0.00000001845 0.48948 32.0225
533 3ETG NDP 0.00000003729 0.44821 32.0225
534 3ETG GLU 0.00000004652 0.44578 32.0225
Pocket No.: 3; Query (leader) PDB : 1BXG; Ligand: HCI; Similar sites found: 14
This union binding pocket(no: 3) in the query (biounit: 1bxg.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NOJ PYR 0.01531 0.41136 1.68067
2 1PSC EBP 0.01846 0.40314 1.96629
3 1TDF FAD 0.03795 0.41254 2.53165
4 3ZOK NAD 0.02462 0.40842 4.21348
5 1LES GLC FRU 0.006666 0.42121 4.41989
6 1RM4 NDP 0.02437 0.40372 5.04451
7 3SZB I1E 0.009762 0.40176 5.33708
8 1HQL GLA MBG 0.009612 0.41674 5.44747
9 2GUD BMA 0.0119 0.40212 7.37705
10 2BQP GLC 0.01598 0.401 9.82906
11 5GUD 2IT 0.0000002562 0.41232 23.3546
12 5GUD NDP 0.0000002055 0.40403 23.3546
13 5OFW 9TW 0.01678 0.40079 25.1121
14 1BGV GLU 0.00000002142 0.69837 30.8989
Pocket No.: 4; Query (leader) PDB : 1BXG; Ligand: HCI; 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: 1bxg.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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