Receptor
PDB id Resolution Class Description Source Keywords
4B63 1.9 Å EC: 1.-.-.- A. FUMIGATUS ORNITHINE HYDROXYLASE (SIDA) BOUND TO NADP AND ORNITHINE ASPERGILLUS FUMIGATUS OXIDOREDUCTASE SIDEROPHORE FLAVIN
Ref.: STRUCTURAL INSIGHT INTO THE MECHANISM OF OXYGEN ACT AND SUBSTRATE SELECTIVITY OF FLAVIN-DEPENDENT N-HYDROXYLATING MONOOXYGENASES. BIOCHEMISTRY V. 51 7043 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1492;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL A:1496;
A:1497;
A:1498;
A:1499;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAP A:1493;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
ORN A:1494;
Valid;
none;
submit data
132.161 C5 H12 N2 O2 C(C[C...
SO4 A:1495;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4B63 1.9 Å EC: 1.-.-.- A. FUMIGATUS ORNITHINE HYDROXYLASE (SIDA) BOUND TO NADP AND ORNITHINE ASPERGILLUS FUMIGATUS OXIDOREDUCTASE SIDEROPHORE FLAVIN
Ref.: STRUCTURAL INSIGHT INTO THE MECHANISM OF OXYGEN ACT AND SUBSTRATE SELECTIVITY OF FLAVIN-DEPENDENT N-HYDROXYLATING MONOOXYGENASES. BIOCHEMISTRY V. 51 7043 2012
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4B69 - ORN C5 H12 N2 O2 C(C[C@@H](....
2 4B64 - LYS C6 H15 N2 O2 C(CC[NH3+]....
3 4B63 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5CKU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4B65 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 4B68 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4B69 - ORN C5 H12 N2 O2 C(C[C@@H](....
2 4B64 - LYS C6 H15 N2 O2 C(CC[NH3+]....
3 4B63 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 5CKU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4B65 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 4B68 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 4TLZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 3S5W - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 4B69 - ORN C5 H12 N2 O2 C(C[C@@H](....
4 4B64 - LYS C6 H15 N2 O2 C(CC[NH3+]....
5 4B63 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 5CKU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 4B65 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 4B68 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Ligand no: 2; 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
Ligand no: 3; Ligand: ORN; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 ORN 1 1
2 DLY 0.714286 0.961538
3 API 0.653846 0.785714
4 DAB 0.615385 0.888889
5 NLE 0.566667 0.724138
6 2YH 0.564103 0.757576
7 11C 0.548387 0.724138
8 UN1 0.548387 0.724138
9 0TF 0.536585 0.714286
10 DHH 0.53125 0.7
11 LYS 0.53125 0.925926
12 ONH 0.515152 0.735294
13 NPI 0.515152 0.7
14 HSE 0.5 0.733333
15 2RA 0.5 0.785714
16 26P 0.5 0.65625
17 6CL 0.5 0.758621
18 CIR 0.485714 0.735294
19 NVA 0.482759 0.714286
20 HCS 0.482759 0.814815
21 ARG 0.472222 0.757576
22 DAR 0.472222 0.757576
23 MLY 0.472222 0.631579
24 MLZ 0.472222 0.757576
25 2NP 0.472222 0.6
26 2YJ 0.465116 0.714286
27 2YG 0.454545 0.714286
28 MSE 0.454545 0.636364
29 GLU 0.451613 0.689655
30 DGL 0.451613 0.689655
31 GGL 0.451613 0.689655
32 DGN 0.451613 0.677419
33 GLN 0.451613 0.677419
34 SER 0.444444 0.689655
35 DSN 0.444444 0.689655
36 ABA 0.444444 0.666667
37 DBB 0.444444 0.666667
38 5CT 0.44186 0.735294
39 WT2 0.439024 0.78125
40 HRG 0.435897 0.757576
41 ALY 0.435897 0.735294
42 ILO 0.435897 0.757576
43 AS2 0.433333 0.62069
44 DCY 0.428571 0.740741
45 CYS 0.428571 0.740741
46 C2N 0.428571 0.703704
47 EXY 0.425 0.611111
48 NOT 0.425 0.705882
49 ONL 0.424242 0.625
50 2FM 0.416667 0.677419
51 4JK 0.414634 0.714286
52 VUR 0.414634 0.735294
53 HAR 0.414634 0.625
54 MED 0.411765 0.65625
55 MET 0.411765 0.65625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4B63; Ligand: ORN; Similar sites found: 65
This union binding pocket(no: 1) in the query (biounit: 4b63.bio1) has 60 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VKO NAD 0.00000003692 0.47845 1.67598
2 1BGV GLU 0.005017 0.40831 1.78174
3 1RM0 NAI 0.0003157 0.43005 1.79641
4 1RM0 D6P 0.0003054 0.42433 1.79641
5 5AYC BGC BMA 0.01551 0.42004 1.81347
6 1Q1R FAD 0.01348 0.44163 1.85615
7 4COQ SAN 0.0053 0.4936 2.02429
8 5TS5 FAD 0.04209 0.4134 2.06612
9 1HDG NAD 0.00003989 0.51615 2.10843
10 4Q0A 4OA 0.04175 0.41356 2.31788
11 2X75 AMP 0.007852 0.41176 2.32019
12 2ZO9 MLI 0.00531 0.47032 2.55474
13 3PLN U5P 0.04857 0.43262 2.59434
14 2NCD ADP 0.04942 0.43623 2.61905
15 1SZD APR 0.01003 0.40426 2.6936
16 1TV5 ORO 0.0008126 0.49466 2.7088
17 1TV5 A26 0.01044 0.43096 2.7088
18 1TV5 N8E 0.04336 0.41283 2.7088
19 5TUF FAD 0.02377 0.43888 2.93399
20 2PP3 LGT 0.0003805 0.47332 3.01508
21 1G8S MET 0.04846 0.44103 3.04348
22 2IVD FAD 0.01737 0.43828 3.13808
23 3HB5 E2B 0.02326 0.41182 3.36391
24 1SJW NGV 0.02927 0.42622 3.47222
25 2BH9 NAP 0.04213 0.41893 3.47648
26 1RM4 NDP 0.000000000007685 0.40352 3.56083
27 1JQN DCO 0.000943 0.44312 3.59281
28 1KY8 NAP 0.000002127 0.4077 3.59281
29 2DT5 NAD 0.0000196 0.51144 3.79147
30 3TI8 LNV 0.0008647 0.43006 3.79747
31 2NPX NAD 0.00000000001457 0.58555 3.80313
32 2NPX FAD 0.00000006407 0.5662 3.80313
33 1ONX ASP 0.01835 0.41127 3.84615
34 3OYZ ACO 0.002761 0.41954 4.15704
35 3IPQ 965 0.006525 0.42108 4.59364
36 4F8L GAL 0.02794 0.48599 4.82759
37 2Z9V PXM 0.01681 0.45656 4.84694
38 1WDA BAG 0.0403 0.43301 5.18962
39 4E28 9MZ 0.01055 0.47736 5.23077
40 4F4S EFO 0.02597 0.44679 5.26316
41 3K7M FAD 0.0000001626 0.49998 5.33643
42 3FPZ AHZ 0.0000000000003066 0.42814 5.52147
43 2QLX RM4 0.04672 0.44666 5.55556
44 1GEE NAD 0.02135 0.40253 5.74713
45 1W31 SHO 0.0004424 0.41442 5.84795
46 2I3G NAP 0.0001262 0.47595 5.96591
47 4Q3S X7A 0.001112 0.45588 5.97403
48 2RHQ GAX 0.04917 0.40318 6.18762
49 1HKU NAD 0.01462 0.40643 6.42458
50 5A2J ALA PRO ASP THR ARG PRO 0.01544 0.48328 6.55738
51 2RL1 UD1 0.02717 0.40691 6.83962
52 3MAG SAH 0.004593 0.452 6.84039
53 2GMH FAD 0.02205 0.42577 6.98603
54 1CFV E3G 0.001909 0.45149 7.07965
55 4ORR PE3 0.03565 0.4023 7.36842
56 1RP0 AHZ 0.0000000000002247 0.4227 8.09859
57 1XEX ATP 0.01292 0.42193 8.79121
58 1GXU 2HP 0.01007 0.4316 16.4835
59 1SS4 GSH 0.0002625 0.62195 16.9935
60 1N9L FMN 0.008823 0.44313 17.4312
61 1MXI SAH 0.04089 0.41396 18.75
62 3F81 STT 0.04826 0.45102 20.2186
63 3KPE TM3 0.006215 0.48984 23.0769
64 2A2X NA9 0.007443 0.44634 23.5294
65 2E1A MSE 0.01735 0.45151 29.3333
Pocket No.: 2; Query (leader) PDB : 4B63; Ligand: NAP; Similar sites found: 63
This union binding pocket(no: 2) in the query (biounit: 4b63.bio1) has 61 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VKO NAD 0.00000004206 0.47845 1.67598
2 3S9K CIT 0.03324 0.48523 1.69492
3 1BGV GLU 0.00528 0.40831 1.78174
4 1RM0 NAI 0.0003389 0.43 1.79641
5 1RM0 D6P 0.0004292 0.42115 1.79641
6 5AYC BGC BMA 0.03179 0.40817 1.81347
7 1Q1R FAD 0.01393 0.44163 1.85615
8 4COQ SAN 0.005459 0.4936 2.02429
9 5TS5 FAD 0.04344 0.4134 2.06612
10 1HDG NAD 0.00004211 0.51615 2.10843
11 4Q0A 4OA 0.04255 0.4138 2.31788
12 2ZO9 MLI 0.00549 0.47032 2.55474
13 3PLN U5P 0.04986 0.43262 2.59434
14 2AHR NAP 0.002202 0.43874 2.7027
15 1TV5 ORO 0.0008457 0.49466 2.7088
16 1TV5 A26 0.01084 0.43096 2.7088
17 1TV5 N8E 0.02949 0.42084 2.7088
18 5TUF FAD 0.02449 0.43888 2.93399
19 2PP3 LGT 0.0003998 0.47332 3.01508
20 1G8S MET 0.04604 0.44287 3.04348
21 2IVD FAD 0.01793 0.43828 3.13808
22 3HB5 E2B 0.02413 0.41182 3.36391
23 1SJW NGV 0.03019 0.42622 3.47222
24 2BH9 NAP 0.04342 0.41893 3.47648
25 1RM4 NDP 0.000000000008944 0.40023 3.56083
26 1JQN DCO 0.0001601 0.47017 3.59281
27 1KY8 NAP 0.0000001698 0.42698 3.59281
28 2DT5 NAD 0.00002082 0.51144 3.79147
29 3TI8 LNV 0.0002073 0.45005 3.79747
30 2NPX NAD 0.000000000009607 0.59145 3.80313
31 2NPX FAD 0.00000006976 0.5662 3.80313
32 1ONX ASP 0.01908 0.41127 3.84615
33 3OYZ ACO 0.002908 0.41954 4.15704
34 3IPQ 965 0.0131 0.41085 4.59364
35 4F8L GAL 0.02857 0.48599 4.82759
36 2Z9V PXM 0.0173 0.45656 4.84694
37 1WDA BAG 0.04143 0.43301 5.18962
38 4E28 9MZ 0.01085 0.47736 5.23077
39 4F4S EFO 0.02671 0.44679 5.26316
40 3K7M FAD 0.0000001802 0.49998 5.33643
41 3SHR CMP 0.003942 0.47957 5.35117
42 3FPZ AHZ 0.0000000000003767 0.42429 5.52147
43 2QLX RM4 0.04786 0.44666 5.55556
44 1GEE NAD 0.02124 0.40325 5.74713
45 2I3G NAP 0.0001336 0.47595 5.96591
46 4Q3S X7A 0.001165 0.45588 5.97403
47 1HKU NAD 0.01525 0.40643 6.42458
48 5A2J ALA PRO ASP THR ARG PRO 0.02559 0.4709 6.55738
49 3MAG SAH 0.004771 0.452 6.84039
50 2GMH FAD 0.02279 0.42577 6.98603
51 1CFV E3G 0.001996 0.45149 7.07965
52 4ORR PE3 0.02895 0.40646 7.36842
53 2V6O FAD 0.000000000003417 0.41802 7.71812
54 1RP0 AHZ 0.0000000000002706 0.41892 8.09859
55 1XEX ATP 0.01243 0.42325 8.79121
56 1GXU 2HP 0.01045 0.4316 16.4835
57 1SS4 GSH 0.00027 0.62195 16.9935
58 1N9L FMN 0.009143 0.44313 17.4312
59 1MXI SAH 0.0422 0.41396 18.75
60 3F81 STT 0.0494 0.45102 20.2186
61 3KPE TM3 0.006399 0.48984 23.0769
62 2A2X NA9 0.007716 0.44634 23.5294
63 2E1A MSE 0.01787 0.45151 29.3333
Pocket No.: 3; Query (leader) PDB : 4B63; Ligand: FAD; Similar sites found: 67
This union binding pocket(no: 3) in the query (biounit: 4b63.bio1) has 60 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VKO NAD 0.00000003692 0.47845 1.67598
2 1BGV GLU 0.005017 0.40831 1.78174
3 1RM0 NAI 0.0003157 0.43005 1.79641
4 1RM0 D6P 0.0003054 0.42433 1.79641
5 5AYC BGC BMA 0.01551 0.42004 1.81347
6 1Q1R FAD 0.01348 0.44163 1.85615
7 4COQ SAN 0.0053 0.4936 2.02429
8 5TS5 FAD 0.04209 0.4134 2.06612
9 1HDG NAD 0.00003989 0.51615 2.10843
10 4Q0A 4OA 0.04175 0.41356 2.31788
11 2X75 AMP 0.007852 0.41176 2.32019
12 2ZO9 MLI 0.00531 0.47032 2.55474
13 3PLN U5P 0.04857 0.43262 2.59434
14 2NCD ADP 0.04942 0.43623 2.61905
15 1SZD APR 0.01003 0.40426 2.6936
16 1TV5 ORO 0.0008126 0.49466 2.7088
17 1TV5 A26 0.01044 0.43096 2.7088
18 1TV5 N8E 0.04336 0.41283 2.7088
19 5TUF FAD 0.02377 0.43888 2.93399
20 4JTA NAP 0.00001367 0.42036 3.003
21 2PP3 LGT 0.0003805 0.47332 3.01508
22 1G8S MET 0.04846 0.44103 3.04348
23 2IVD FAD 0.01737 0.43828 3.13808
24 3HB5 E2B 0.02326 0.41182 3.36391
25 1SJW NGV 0.02927 0.42622 3.47222
26 2BH9 NAP 0.04213 0.41893 3.47648
27 1RM4 NDP 0.000000000007685 0.40352 3.56083
28 1JQN DCO 0.000943 0.44312 3.59281
29 1KY8 NAP 0.000002127 0.4077 3.59281
30 2DT5 NAD 0.0000196 0.51144 3.79147
31 3TI8 LNV 0.0008647 0.43006 3.79747
32 2NPX NAD 0.00000000001457 0.58555 3.80313
33 2NPX FAD 0.00000006407 0.5662 3.80313
34 1ONX ASP 0.01835 0.41127 3.84615
35 3OYZ ACO 0.002761 0.41954 4.15704
36 3IPQ 965 0.006525 0.42108 4.59364
37 4F8L GAL 0.02794 0.48599 4.82759
38 2Z9V PXM 0.01681 0.45656 4.84694
39 1WDA BAG 0.0403 0.43301 5.18962
40 4E28 9MZ 0.01055 0.47736 5.23077
41 4F4S EFO 0.02597 0.44679 5.26316
42 3K7M FAD 0.0000001626 0.49998 5.33643
43 3FPZ AHZ 0.0000000000003066 0.42814 5.52147
44 2QLX RM4 0.04672 0.44666 5.55556
45 1GEE NAD 0.02135 0.40253 5.74713
46 1W31 SHO 0.0004424 0.41442 5.84795
47 2I3G NAP 0.0001262 0.47595 5.96591
48 4Q3S X7A 0.001112 0.45588 5.97403
49 2RHQ GAX 0.04917 0.40318 6.18762
50 1HKU NAD 0.01462 0.40643 6.42458
51 5A2J ALA PRO ASP THR ARG PRO 0.01544 0.48328 6.55738
52 2RL1 UD1 0.02717 0.40691 6.83962
53 3MAG SAH 0.004593 0.452 6.84039
54 2GMH FAD 0.02205 0.42577 6.98603
55 1CFV E3G 0.001909 0.45149 7.07965
56 4ORR PE3 0.03565 0.4023 7.36842
57 2V6O FAD 0.00000000000468 0.41836 7.71812
58 1RP0 AHZ 0.0000000000002247 0.4227 8.09859
59 1XEX ATP 0.01292 0.42193 8.79121
60 1GXU 2HP 0.01007 0.4316 16.4835
61 1SS4 GSH 0.0002625 0.62195 16.9935
62 1N9L FMN 0.008823 0.44313 17.4312
63 1MXI SAH 0.04089 0.41396 18.75
64 3F81 STT 0.04826 0.45102 20.2186
65 3KPE TM3 0.006215 0.48984 23.0769
66 2A2X NA9 0.007443 0.44634 23.5294
67 2E1A MSE 0.01735 0.45151 29.3333
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