-->
Receptor
PDB id Resolution Class Description Source Keywords
3D9G 2.15 Å EC: 1.7.3.1 NITROALKANE OXIDASE: WILD TYPE CRYSTALLIZED IN A TRAPPED STA A CYANOADDUCT WITH FAD FUSARIUM OXYSPORUM OXIDOREDUCTASE FLAVOENZYME NITROALKANE ACYL-COA DEHYDROGELONG CELL EDGE FAD INHIBITOR FLAVOPROTEIN
Ref.: CRYSTAL STRUCTURES OF INTERMEDIATES IN THE NITROALK OXIDASE REACTION. BIOCHEMISTRY V. 48 3407 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD CNX A:500;
B:500;
C:500;
D:500;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
894.729 n/a P(=O)...
GOL A:700;
D:701;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3D9F 2.2 Å EC: 1.7.3.1 NITROALKANE OXIDASE: ACTIVE SITE MUTANT S276A CRYSTALLIZED W NITROHEXANE FUSARIUM OXYSPORUM OXIDOREDUCTASE FLAVOENZYME NITROALKANE ACYL-COA DEHYDROGELONG CELL EDGE FAD INHIBITOR FLAVOPROTEIN
Ref.: CRYSTAL STRUCTURES OF INTERMEDIATES IN THE NITROALK OXIDASE REACTION. BIOCHEMISTRY V. 48 3407 2009
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2ZAF - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3D9F Ki = 130 mM N6C C6 H13 N O2 CCCCCC[N+]....
3 3D9E - N8C C8 H17 N O2 CCCCCCCC[N....
4 2REH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2C12 Ki ~ 200 mM SPM C10 H26 N4 C(CCNCCCN)....
6 3D9G - FAD CNX n/a n/a
7 3D9D - N6C C6 H13 N O2 CCCCCC[N+]....
8 3FCJ - NIE C2 H5 N O2 CC[N+](=O)....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2ZAF - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3D9F Ki = 130 mM N6C C6 H13 N O2 CCCCCC[N+]....
3 3D9E - N8C C8 H17 N O2 CCCCCCCC[N....
4 2REH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2C12 Ki ~ 200 mM SPM C10 H26 N4 C(CCNCCCN)....
6 3D9G - FAD CNX n/a n/a
7 3D9D - N6C C6 H13 N O2 CCCCCC[N+]....
8 3FCJ - NIE C2 H5 N O2 CC[N+](=O)....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZAF - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3D9F Ki = 130 mM N6C C6 H13 N O2 CCCCCC[N+]....
3 3D9E - N8C C8 H17 N O2 CCCCCCCC[N....
4 2REH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2C12 Ki ~ 200 mM SPM C10 H26 N4 C(CCNCCCN)....
6 3D9G - FAD CNX n/a n/a
7 3D9D - N6C C6 H13 N O2 CCCCCC[N+]....
8 3FCJ - NIE C2 H5 N O2 CC[N+](=O)....
9 3MKH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD CNX; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD CNX 1 1
2 FAD NBT 0.786667 0.85
3 FAD NBA 0.75 0.938144
4 FNK 0.613497 0.885417
5 P6G FDA 0.578035 0.85567
6 F2N 0.568965 0.894737
7 FDA 0.551515 0.873684
8 CNV FAD 0.534483 0.84375
9 6YU 0.528796 0.888889
10 P33 FDA 0.508287 0.848485
11 SFD 0.49711 0.715596
12 FAS 0.488506 0.8125
13 FAD 0.488506 0.8125
14 6FA 0.468571 0.804124
15 62F 0.461111 0.783505
16 ADP PO3 0.460993 0.723404
17 RFL 0.456044 0.787879
18 FAY 0.450549 0.802083
19 ADP ALF 0.448276 0.68
20 ALF ADP 0.448276 0.68
21 4TA 0.442424 0.831579
22 MYR AMP 0.437909 0.821053
23 ADP VO4 0.435374 0.701031
24 VO4 ADP 0.435374 0.701031
25 AF3 ADP 3PG 0.434783 0.693069
26 FA9 0.434555 0.822917
27 Z5A 0.427746 0.806122
28 ADP BMA 0.427632 0.729167
29 NAJ PZO 0.426035 0.752577
30 ATP A A A 0.423077 0.734043
31 P5F 0.418848 0.845361
32 AHZ 0.416149 0.747475
33 OMR 0.408537 0.8125
34 5SV 0.407895 0.789474
35 1ZZ 0.403846 0.802083
36 AR6 AR6 0.403727 0.726316
37 DAL AMP 0.401316 0.736842
38 M33 0.4 0.71875
39 NAJ PYZ 0.4 0.722772
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3D9F; Ligand: N6C; Similar sites found with APoc: 213
This union binding pocket(no: 1) in the query (biounit: 3d9f.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 2WOR 2AN None
3 3RET SAL None
4 3RET PYR None
5 5N8V KZZ None
6 5NNT DPV None
7 4EKQ NPO None
8 3RY9 1CA 1.2
9 5MB4 NAG 1.24688
10 3X01 AMP 1.27226
11 4JUI EGR 1.36986
12 4UP4 GAL NAG 1.49626
13 3AKI AH8 1.59817
14 3A23 GAL 1.59817
15 2ZJ3 G6P 1.6
16 2HJ3 FAD 1.6
17 6CB2 OLC 1.70648
18 2UVO NDG 1.75439
19 2UVO NAG 1.75439
20 4IA6 EIC 1.82648
21 4WGF HX2 1.95122
22 3AI8 HNQ 1.95312
23 5YS9 FAD 2.05479
24 2HHP FLC 2.05479
25 2DDH HXD 2.05479
26 1E4I NFG 2.05479
27 3I7S PYR 2.05479
28 4O1Z MXM 2.05479
29 5B25 4QJ 2.07101
30 5OLK DTP 2.09302
31 4G86 BNT 2.11268
32 3ZUY TCH 2.16718
33 2QCX PF1 2.28137
34 2VO4 4NM 2.28311
35 4AMV F6R 2.28311
36 5MJA 7O3 2.29508
37 1TO9 HMH 2.30769
38 3HYW DCQ 2.32558
39 5HCV 60R 2.33463
40 2Q1H AS4 2.4
41 4DK7 0KS 2.42915
42 3W54 RNB 2.43161
43 3NB0 G6P 2.51142
44 5UC9 MYR 2.51142
45 3RDE OYP 2.51142
46 4XDA ADP 2.589
47 3O01 DXC 2.5974
48 5LX9 OLB 2.60586
49 4URS C2E 2.65957
50 5UC4 83S 2.72727
51 5CX8 TG6 2.73973
52 2D3Y DU 2.73973
53 5URY PAM 2.73973
54 2BO4 FLC 2.77078
55 1NSA BEN 2.78481
56 3ZQE DXC 2.95082
57 3DSK T25 2.96804
58 3DCT 064 2.97872
59 3OKI OKI 3.00429
60 5NM7 GLY 3.00752
61 5ZRR 9J3 3.01887
62 5GUE GGS 3.02115
63 4OR7 25U 3.0303
64 6BMM OLB 3.07167
65 2WG9 OCA 3.07692
66 4XNV BUR 3.08789
67 5X80 SAL 3.125
68 1NRL SRL 3.16456
69 1M13 HYF 3.16456
70 4KVL PLM 3.19635
71 6FX0 E9T 3.19635
72 6DIO CIT 3.2634
73 3KC1 2T6 3.2641
74 4DM8 REA 3.37079
75 1NF8 BOG 3.38164
76 1U8V FAD 3.65297
77 1YYE 196 3.73134
78 3KMR EQN 3.7594
79 3IAA TYD 3.84615
80 5EVY SAL 3.88128
81 4B2D FBP 3.88128
82 3AB4 THR 3.93258
83 2DTJ THR 3.93258
84 5Y9D FAD 4.10959
85 5IM3 DTP 4.10959
86 5VRH OLB 4.10959
87 1U3R 338 4.14938
88 4J26 EST 4.16667
89 4J24 EST 4.16667
90 3OLL EST 4.16667
91 2YJD YJD 4.16667
92 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 4.1841
93 5IDB BMA 4.22535
94 5HCT 61P 4.29594
95 2BCG GER 4.36893
96 5X3R 7Y3 4.39024
97 5G5W R8C 4.64286
98 1NHZ 486 4.64286
99 5LWY OLB 4.6729
100 4TV1 36M 4.78088
101 3UUD EST 4.78088
102 2WTN FER 4.78088
103 5F2T PLM 4.87013
104 3DJL FAD 5.02283
105 1M2Z BOG 5.05837
106 4P6X HCY 5.09804
107 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.10204
108 2BHW NEX 5.17241
109 3B99 U51 5.25114
110 5DX3 EST 5.36398
111 5DXG EST 5.36398
112 5DXE EST 5.36398
113 5WGD EST 5.36398
114 5WGQ EST 5.36398
115 5HYR EST 5.42636
116 2QA8 GEN 5.42636
117 1N46 PFA 5.42636
118 2QZO KN1 5.42636
119 4MGA 27L 5.4902
120 4TUZ 36J 5.4902
121 4MGD 27N 5.4902
122 4MG8 27J 5.4902
123 6D28 NEC 5.49451
124 1RV1 IMZ 5.88235
125 2FLI DX5 5.90909
126 3KO0 TFP 5.94059
127 3KP6 SAL 5.96026
128 2O1O RIS 5.97826
129 4E2J MOF 6
130 3GN8 DEX 6.0241
131 3AQT RCO 6.12245
132 4OAR 2S0 6.20155
133 1DTL BEP 6.21118
134 1X0P FAD 6.29371
135 1TV5 N8E 6.32054
136 5W7B MYR 6.38298
137 3FAL REA 6.39098
138 3FAL LO2 6.39098
139 1KUK PCA LYS TRP 6.40394
140 2BYC FMN 6.56934
141 2F2G HMH 6.78733
142 4V1F BQ1 6.97674
143 1RTW MP5 7.27273
144 5UGW GSH 7.42857
145 1YC4 43P 7.57576
146 4L80 OXL 7.75862
147 2X2T GAL NGA 7.84314
148 3NY4 SMX 7.92453
149 3RLB VIB 8.33333
150 6C0B PAM 8.97436
151 1OFZ FUL 9.29487
152 5TVI MYR 9.78261
153 5OCA 9QZ 10.3175
154 1XVB 3BR 10.5882
155 5HTL C2E 11.0345
156 3N7S 3N7 11.3043
157 3GWL FAD 11.3208
158 4URX HXY 11.3514
159 6FS0 E4W 11.4679
160 5B0I BOG 11.6618
161 4KCF FMN 12.1145
162 6BVK EAV 12.5749
163 6BVM EBV 12.5749
164 6BVI EC4 12.5749
165 6BVL EBY 12.5749
166 6D5V FVY 12.5749
167 6BVJ EAS 12.5749
168 3T03 3T0 13.0282
169 1FM9 9CR 13.6029
170 4XVX P6G FDA 13.6247
171 4XVX P33 FDA 13.6247
172 4DE3 DN8 13.6882
173 4DDY DN6 13.6882
174 1YRO UDP 13.8211
175 4Y9J FAD 14.3836
176 4Y9J UCC 14.3836
177 3SQP 3J8 14.3836
178 3P9T TCL 14.6119
179 3GQT UFO 15.5388
180 5MR6 FAD 16.707
181 1HBK MYR 16.8539
182 4XB4 45D 17.1053
183 5K52 OCD 17.3585
184 5XXS COA 17.4242
185 5C9J STE 18.1818
186 4OGQ 7PH 18.9189
187 4RC8 STE 18.9189
188 4X28 FDA 19
189 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 19.5652
190 5Z84 CHD 20.5479
191 5K53 STE 20.6107
192 1R2J FAD 21.8579
193 3X0Y FMN 23.741
194 3B96 MYA 34.4749
195 3B96 FAD 34.4749
196 6ES9 FAD 35.6164
197 1RX0 FAD 37.4046
198 3MPI FAD 40.3023
199 3MPI GRA 40.3023
200 1JQI FAD 41.2371
201 1JQI CAA 41.2371
202 5AHS FAD 44.389
203 5AHS COA 44.389
204 5AHS SIN 44.389
205 1UDY FAD 44.4444
206 1UDY CS8 44.4444
207 5ZW7 FAD 45.5224
208 1EGD FAD 45.7071
209 4L1F FAD 45.953
210 3PFD FDA 46.3104
211 1BUC CAA 46.7363
212 1BUC FAD 46.7363
213 1UKW FAD 47.2296
Pocket No.: 2; Query (leader) PDB : 3D9F; Ligand: FAD; Similar sites found with APoc: 201
This union binding pocket(no: 2) in the query (biounit: 3d9f.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO5 PIH None
2 2WOR 2AN None
3 1ECM TSA None
4 4WG0 CHD None
5 4K55 H6P None
6 5NNT DPV None
7 3RY9 1CA 1.2
8 5MB4 NAG 1.24688
9 3X01 AMP 1.27226
10 3WQM B29 1.3289
11 4JUI EGR 1.36986
12 3AKI AH8 1.59817
13 2ZJ3 G6P 1.6
14 2HJ3 FAD 1.6
15 6CB2 OLC 1.70648
16 4IA6 EIC 1.82648
17 1ON3 DXX 1.82648
18 4M51 BEZ 1.87354
19 1BW9 PPY 1.96629
20 1C1X HFA 1.97183
21 5AZC PGT 2
22 2CIX CEJ 2.00669
23 2HHP FLC 2.05479
24 5YS9 FAD 2.05479
25 2DDH HXD 2.05479
26 1E4I NFG 2.05479
27 3I7S PYR 2.05479
28 5B25 4QJ 2.07101
29 4G86 BNT 2.11268
30 4AMV F6R 2.28311
31 4S00 AKR 2.28311
32 5MJA 7O3 2.29508
33 3HYW DCQ 2.32558
34 5HCV 60R 2.33463
35 2Q1H AS4 2.4
36 4DK7 0KS 2.42915
37 3W54 RNB 2.43161
38 5UC9 MYR 2.51142
39 3NB0 G6P 2.51142
40 3RDE OYP 2.51142
41 1OYJ GSH 2.5974
42 3O01 DXC 2.5974
43 5LX9 OLB 2.60586
44 4URS C2E 2.65957
45 5UC4 83S 2.72727
46 5URY PAM 2.73973
47 5CX8 TG6 2.73973
48 1NSA BEN 2.78481
49 6BR9 6OU 2.78552
50 3ZQE DXC 2.95082
51 5XHA FRU 2.96804
52 3DCT 064 2.97872
53 3OKI OKI 3.00429
54 5ZRR 9J3 3.01887
55 4OR7 25U 3.0303
56 3EE4 MYR 3.09598
57 5X80 SAL 3.125
58 1NRL SRL 3.16456
59 1M13 HYF 3.16456
60 6GNF GLC 3.19635
61 4KVL PLM 3.19635
62 4UZI IMD 3.19635
63 6FX0 E9T 3.19635
64 1CEN BGC BGC 3.207
65 1S20 NAD 3.23529
66 6DIO CIT 3.2634
67 3KC1 2T6 3.2641
68 6GH9 MIX 3.28767
69 4DM8 REA 3.37079
70 1NF8 BOG 3.38164
71 2O1V ADP 3.42466
72 1XQP 8HG 3.51562
73 1U8V FAD 3.65297
74 4ZBR NPS 3.65297
75 1YYE 196 3.73134
76 3KMR EQN 3.7594
77 5OSW DIU 3.88128
78 5OSW AE4 3.88128
79 5EVY SAL 3.88128
80 3AB4 THR 3.93258
81 5Y9D FAD 4.10959
82 5VRH OLB 4.10959
83 1YRX FMN 4.13223
84 1U3R 338 4.14938
85 4J26 EST 4.16667
86 4J24 EST 4.16667
87 3OLL EST 4.16667
88 2YJD YJD 4.16667
89 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 4.2623
90 5K7H IVC 4.329
91 3L0E G58 4.34783
92 2BCG GER 4.36893
93 5X3R 7Y3 4.39024
94 2HFN FMN 4.57516
95 5G5W R8C 4.64286
96 1NHZ 486 4.64286
97 5LWY OLB 4.6729
98 4TV1 36M 4.78088
99 3UU7 2OH 4.78088
100 3UUD EST 4.78088
101 3DJL FAD 5.02283
102 1M2Z BOG 5.05837
103 1M2Z DEX 5.05837
104 4P6X HCY 5.09804
105 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.10204
106 2BHW NEX 5.17241
107 3B99 U51 5.25114
108 3UDG TMP 5.31561
109 3AI3 SOE 5.32319
110 5WGD EST 5.36398
111 5DXE EST 5.36398
112 5WGQ EST 5.36398
113 2QA8 GEN 5.42636
114 5HYR EST 5.42636
115 2QZO KN1 5.42636
116 1N46 PFA 5.42636
117 4IBF 1D5 5.42636
118 4MGA 27L 5.4902
119 4MGB XDH 5.4902
120 4MG9 27K 5.4902
121 4TUZ 36J 5.4902
122 4MGD 27N 5.4902
123 4MG8 27J 5.4902
124 1MID LAP 5.49451
125 6D28 NEC 5.49451
126 1XXR MAN 5.59006
127 5C1M OLC 5.6
128 5F90 GLA GAL BGC 5VQ 5.76923
129 3KP6 SAL 5.96026
130 1DKF OLA 6.00858
131 3GN8 DEX 6.0241
132 1K7L 544 6.16438
133 4OAR 2S0 6.20155
134 1DTL BEP 6.21118
135 1X0P FAD 6.29371
136 1TV5 N8E 6.32054
137 2VPY PCI 6.32411
138 5W7B MYR 6.38298
139 3FAL REA 6.39098
140 3FAL LO2 6.39098
141 4V1F BQ1 6.97674
142 5O22 C3R 7.26644
143 1YC4 43P 7.57576
144 4RYV ZEA 7.74194
145 2X2T GAL NGA 7.84314
146 4WOE 3S5 8.21918
147 6C0B PAM 8.97436
148 6GMN F4E 9.27835
149 3OTI TYD 9.29648
150 5OCA 9QZ 10.3175
151 1XVB 3BR 10.5882
152 2R0N TGC 10.6599
153 5HTL C2E 11.0345
154 43CA NPO 11.1111
155 4URX HXY 11.3514
156 6FS0 E4W 11.4679
157 4BJ8 BTN 11.9048
158 4KCF FMN 12.1145
159 3V49 PK0 12.406
160 6D55 FWA 12.5749
161 1WQ1 AF3 12.6506
162 4J6W C 13.4146
163 1FM9 9CR 13.6029
164 4XVX P6G FDA 13.6247
165 4XVX P33 FDA 13.6247
166 4DE3 DN8 13.6882
167 4Y9J FAD 14.3836
168 4Y9J UCC 14.3836
169 2CB8 MYA 14.9425
170 3GQT UFO 15.5388
171 5MR6 FAD 16.707
172 1HBK MYR 16.8539
173 4XB4 45D 17.1053
174 5XXS COA 17.4242
175 1T0S BML 17.4419
176 4OGQ 7PH 18.9189
177 4X28 FDA 19
178 3FS1 MYR 19.5652
179 1R2J FAD 21.8579
180 3X0Y FMN 23.741
181 2QL9 CIT 28.866
182 3B96 MYA 34.4749
183 3B96 FAD 34.4749
184 6ES9 FAD 35.6164
185 1RX0 FAD 37.4046
186 3MPI FAD 40.3023
187 3MPI GRA 40.3023
188 1JQI FAD 41.2371
189 1JQI CAA 41.2371
190 5AHS FAD 44.389
191 5AHS COA 44.389
192 5AHS SIN 44.389
193 1UDY CS8 44.4444
194 1UDY FAD 44.4444
195 1EGD FAD 45.7071
196 4L1F FAD 45.953
197 4L1F COS 45.953
198 3PFD FDA 46.3104
199 1BUC FAD 46.7363
200 1BUC CAA 46.7363
201 1UKW FAD 47.2296
Pocket No.: 3; Query (leader) PDB : 3D9F; Ligand: N6C; Similar sites found with APoc: 54
This union binding pocket(no: 3) in the query (biounit: 3d9f.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 1ECM TSA None
3 3WQM B29 1.3289
4 1ON3 DXX 1.82648
5 1BW9 PPY 1.96629
6 1C1X HFA 1.97183
7 5AZC PGT 2
8 2CIX CEJ 2.00669
9 4S00 AKR 2.28311
10 1OYJ GSH 2.5974
11 2I80 G1L 2.77778
12 6BR9 6OU 2.78552
13 5XHA FRU 2.96804
14 1O6U PLM 2.97767
15 3EE4 MYR 3.09598
16 4UZI IMD 3.19635
17 1CEN BGC BGC 3.207
18 1S20 NAD 3.23529
19 2O1V ADP 3.42466
20 1XQP 8HG 3.51562
21 4ZBR NPS 3.65297
22 6CS8 F9Y 3.9604
23 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 4.2623
24 5K7H IVC 4.329
25 5E7V M7E 4.33333
26 3L0E G58 4.34783
27 3UU7 2OH 4.78088
28 2ZQ0 ACR 4.87805
29 1M2Z DEX 5.05837
30 3AI3 SOE 5.32319
31 4IBF 1D5 5.42636
32 2BJ4 OHT 5.55556
33 1XXR MAN 5.59006
34 5C1M OLC 5.6
35 5F90 GLA GAL BGC 5VQ 5.76923
36 1DKF OLA 6.00858
37 4M8E 29V 6.06061
38 4POJ 2VP 6.06061
39 1K7L 544 6.16438
40 6AYH C3G 6.96517
41 3GYT DL4 6.96721
42 4RYV ZEA 7.74194
43 4WOE 3S5 8.21918
44 1ELW GLY PRO THR ILE GLU GLU VAL ASP 9.32203
45 43CA NPO 11.1111
46 4BJ8 BTN 11.9048
47 3V49 PK0 12.406
48 6D55 FWA 12.5749
49 1WQ1 AF3 12.6506
50 4J6W C 13.4146
51 2CB8 MYA 14.9425
52 1T0S BML 17.4419
53 3FS1 MYR 19.5652
54 4L1F COS 45.953
Pocket No.: 4; Query (leader) PDB : 3D9F; Ligand: FAD; Similar sites found with APoc: 57
This union binding pocket(no: 4) in the query (biounit: 3d9f.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 3GFZ FMN 0.968523
3 4UP4 GAL NAG 1.49626
4 3A23 GAL 1.59817
5 2POC BG6 1.63488
6 4M5P FMN 1.7199
7 4TQK NAG 1.72414
8 3TDC 0EU 1.82648
9 4YJI TYL 1.82648
10 4E03 ADP 1.94175
11 4WGF HX2 1.95122
12 5D1R 56S 2.09205
13 6EYT NDG 2.14067
14 6AM8 TRP 2.27273
15 4KTP BGC 2.28311
16 1J1R ADE 2.29885
17 5HWV MBN 2.30769
18 5JVB 2PO 2.5
19 3FXU TSU 2.95082
20 4F06 PHB 2.96496
21 3DSK T25 2.96804
22 4QEK GLC 2.99003
23 3THR C2F 3.07167
24 4RW3 TDA 3.19635
25 2D2F ADP 3.2
26 4L9Z OXL 3.24484
27 2D3S TNR 3.30579
28 6BSX E7S 3.37079
29 5XH2 NPO 3.43511
30 1XZ3 ICF 3.44828
31 1JGS SAL 3.62319
32 6F5W KG1 3.79404
33 4B2D FBP 3.88128
34 2DTJ THR 3.93258
35 3UN3 G16 4.01003
36 4A69 I0P 4.25532
37 1YKJ PHB 4.31472
38 4IHL 1F5 4.68085
39 2DT9 THR 4.79042
40 5F2T PLM 4.87013
41 1KGZ PRP 4.92754
42 3BQD DAY 5.09804
43 5DXG EST 5.36398
44 5DX3 EST 5.36398
45 1RV1 IMZ 5.88235
46 2FLI DX5 5.90909
47 3AQT RCO 6.12245
48 2BYC FMN 6.56934
49 1JF0 CZH 6.66667
50 2D5X L35 7.0922
51 2NUN ADP 7.12074
52 1RTW MP5 7.27273
53 4AP9 1PS 7.46269
54 4L80 OXL 7.75862
55 2NV2 GLN 12.2549
56 4DDY DN6 13.6882
57 5ZW7 FAD 45.5224
Pocket No.: 5; Query (leader) PDB : 3D9F; Ligand: FAD; Similar sites found with APoc: 31
This union binding pocket(no: 5) in the query (biounit: 3d9f.bio1) has 50 residues
No: Leader PDB Ligand Sequence Similarity
1 5N8V KZZ None
2 2UVO NDG 1.75439
3 2UVO NAG 1.75439
4 3AI8 HNQ 1.95312
5 4O1Z MXM 2.05479
6 2QCX PF1 2.28137
7 2VO4 4NM 2.28311
8 4XDA ADP 2.589
9 2D3Y DU 2.73973
10 2I80 G1L 2.77778
11 5NM7 GLY 3.00752
12 2NZ2 CIR 3.1477
13 3IAA TYD 3.84615
14 1ZGS XMM 4.10959
15 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 4.1841
16 5IDB BMA 4.22535
17 2YFB SIN 4.26357
18 4MG7 27H 5.4902
19 3KO0 TFP 5.94059
20 1KUK PCA LYS TRP 6.40394
21 3TUR DGL 7.66551
22 3NY4 SMX 7.92453
23 4XMF HSM 10.8696
24 5B0I BOG 11.6618
25 6BVK EAV 12.5749
26 6BVM EBV 12.5749
27 6BVI EC4 12.5749
28 6BVL EBY 12.5749
29 1YRO UDP 13.8211
30 5C9J STE 18.1818
31 5Z84 CHD 20.5479
Pocket No.: 6; Query (leader) PDB : 3D9F; Ligand: N6C; Similar sites found with APoc: 27
This union binding pocket(no: 6) in the query (biounit: 3d9f.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 4MRP GSH 1.59817
2 4TQK NAG 1.72414
3 4YJI TYL 1.82648
4 6EYT NDG 2.14067
5 5JVB 2PO 2.5
6 2AWN ADP 2.62467
7 5OKL PAM 2.73973
8 2AJH MET 3.06122
9 6DCH CHT 3.06748
10 2D3S TNR 3.30579
11 3IL6 B83 3.42679
12 2YFB SIN 4.26357
13 2YIV YIV 4.56621
14 2HFN FMN 4.57516
15 3UUA 0CZ 4.78088
16 6MVU K4V 4.79452
17 3BQD DAY 5.09804
18 4MG9 27K 5.4902
19 4MG7 27H 5.4902
20 4MGB XDH 5.4902
21 1MID LAP 5.49451
22 2R7G PRO PRO THR LEU HIS GLU LEU TYR ASP LEU 6.05187
23 6GMN F4E 9.27835
24 3OTI TYD 9.29648
25 1L0I PSR 10.2564
26 4F4S EFO 11.8421
27 2F6U CIT 15.3846
Pocket No.: 7; Query (leader) PDB : 3D9F; Ligand: N6C; Similar sites found with APoc: 30
This union binding pocket(no: 7) in the query (biounit: 3d9f.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 1UO4 PIH None
2 3GFZ FMN 0.968523
3 5MBC FMN 1.41643
4 4YUS FMN 1.57068
5 2POC BG6 1.63488
6 3TDC 0EU 1.82648
7 4E03 ADP 1.94175
8 5D1R 56S 2.09205
9 6AM8 TRP 2.27273
10 1J1R ADE 2.29885
11 4F06 PHB 2.96496
12 4QEK GLC 2.99003
13 5U5G 7VD 3.05085
14 3THR C2F 3.07167
15 2D2F ADP 3.2
16 4L9Z OXL 3.24484
17 5XH2 NPO 3.43511
18 1XZ3 ICF 3.44828
19 2IYG FMN 4.03226
20 1YRX FMN 4.13223
21 4A69 I0P 4.25532
22 1YKJ PHB 4.31472
23 1KGZ PRP 4.92754
24 2BMR 3NT 6.18557
25 2D5X L35 7.0922
26 2JBM SRT 7.69231
27 2R0N TGC 10.6599
28 2NV2 GLN 12.2549
29 5VAN BGC 13.4328
30 3ROE THM 14.3396
Pocket No.: 8; Query (leader) PDB : 3D9F; Ligand: FAD; Similar sites found with APoc: 17
This union binding pocket(no: 8) in the query (biounit: 3d9f.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 4MRP GSH 1.59817
2 5OLK DTP 2.09302
3 2AWN ADP 2.62467
4 5OKL PAM 2.73973
5 3IL6 B83 3.42679
6 2ATJ BHO 4.22078
7 3UUA 0CZ 4.78088
8 6MVU K4V 4.79452
9 1HSR BHO 5.23256
10 5N26 CPT 5.49451
11 2BJ4 OHT 5.55556
12 6A5Y 9CR 5.88235
13 4E2J MOF 6
14 1L0I PSR 10.2564
15 1G6H ADP 11.6732
16 4F4S EFO 11.8421
17 2F6U CIT 15.3846
APoc FAQ
Feedback