Receptor
PDB id Resolution Class Description Source Keywords
3MHP 1.7 Å EC: 1.18.1.2 FNR-RECRUITMENT TO THE THYLAKOID PISUM SATIVUM FNR OXIDOREDUCTASE THYLAKOID MEMBRANE PROTON-FLUX POLY PHELIX SELF ASSEMBLY NADP(H)
Ref.: FERREDOXIN:NADPH OXIDOREDUCTASE IS RECRUITED TO THY BY BINDING TO A POLYPROLINE TYPE II HELIX IN A PH-D MANNER. PROC.NATL.ACAD.SCI.USA V. 107 19260 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:999;
B:999;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MHP 1.7 Å EC: 1.18.1.2 FNR-RECRUITMENT TO THE THYLAKOID PISUM SATIVUM FNR OXIDOREDUCTASE THYLAKOID MEMBRANE PROTON-FLUX POLY PHELIX SELF ASSEMBLY NADP(H)
Ref.: FERREDOXIN:NADPH OXIDOREDUCTASE IS RECRUITED TO THY BY BINDING TO A POLYPROLINE TYPE II HELIX IN A PH-D MANNER. PROC.NATL.ACAD.SCI.USA V. 107 19260 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3MHP - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 3MHP - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3MHP - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MHP; Ligand: FAD; 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: 3mhp.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3MHP; Ligand: FAD; Similar sites found: 67
This union binding pocket(no: 2) in the query (biounit: 3mhp.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5E6O TRP GLU GLU LEU 0.01067 0.41483 None
2 4WCX MET 0.01005 0.4155 2.02703
3 1KQR MNA 0.003655 0.42837 2.23464
4 3B9Q MLI 0.02909 0.40532 2.36486
5 2P3I MNA 0.01063 0.40542 2.48447
6 1IG0 VIB 0.01426 0.41303 2.7027
7 1DKU AP2 0.008498 0.41189 3.04054
8 4BC5 5FX 0.005764 0.41743 3.37838
9 2AJH MET 0.01658 0.41097 3.57143
10 4DS0 A2G GAL NAG FUC 0.006552 0.42886 3.68098
11 1RL4 BL5 0.01294 0.42949 4.25532
12 1EP2 FAD 0.00007953 0.45387 4.5977
13 2PL3 ADP 0.01447 0.40826 4.66102
14 2VOH CIT 0.02408 0.42117 5.09554
15 1EJE FMN 0.00486 0.40697 5.20833
16 3I7V B4P 0.008881 0.44936 5.22388
17 4RHS SIA SIA GAL 0.006922 0.4332 5.7377
18 1KZL CRM 0.0009517 0.46117 6.25
19 5UDS ATP 0.0133 0.40587 6.75676
20 4YHB FAD 0.00002232 0.4588 6.95971
21 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.02149 0.40985 7
22 4ME6 ADP 0.02371 0.40318 7.09459
23 4WOH 4NP 0.01597 0.42477 7.22892
24 5O0X FAD 0.000003055 0.58131 7.56014
25 5XQL C2E 0.007271 0.4025 7.56014
26 1WK8 VMS 0.01695 0.40076 7.69231
27 4WQM FAD 0.000000001669 0.62431 8.44595
28 1T9M FMN 0.005134 0.40952 8.8785
29 4NV1 TYD 0.02408 0.40482 9.46502
30 3QDV NDG 0.01144 0.42814 9.79021
31 3QDY CBS 0.01224 0.42646 9.79021
32 3QDW NDG 0.01295 0.42422 9.79021
33 3QDU CBS CBS 0.01861 0.41374 9.79021
34 3UEC ALA ARG TPO LYS 0.01613 0.41586 10.274
35 2QQC AG2 0.007237 0.43009 11.3208
36 1N13 AG2 0.006687 0.43186 11.5385
37 1XVB BHL BHL 0.02597 0.40809 11.5385
38 2PIA FMN 0.000005785 0.5352 12.8378
39 1OYY AGS 0.008639 0.41495 15.3846
40 1QX4 FAD 0.000004203 0.43382 16.2162
41 4G1V FAD 0.00000007205 0.63646 18.2432
42 3W2E NAD 0.0000004934 0.42932 21.2838
43 3W2E FAD 0.0000004934 0.42932 21.2838
44 2EIX FAD 0.000002587 0.47595 21.6216
45 2CND FAD 0.0000007907 0.55795 22.973
46 4ONT SIA GAL BGC 0.01925 0.40745 23.0769
47 3A3B FMN 0.002088 0.44995 23.3108
48 3A3B RBF 0.002397 0.44698 23.3108
49 1KRH FAD 0.000000004923 0.64876 23.6486
50 1A8P FAD 0.0000002862 0.57698 26.0135
51 3CRZ FAD 0.0000000257 0.60677 26.3514
52 3CRZ NAP 0.0000001397 0.46641 26.3514
53 3OZV FAD 0.0000001199 0.65472 30.7692
54 3OZV ECN 0.0000004361 0.63386 30.7692
55 4HMX FMN 0.01122 0.40159 30.7692
56 1TLL FAD 0.000000000154 0.73276 31.0811
57 1F20 FAD 0.0000000004529 0.6907 31.0811
58 4DQL FAD 0.000000000309 0.63553 31.4189
59 4DQL NAP 0.000000001869 0.49277 31.4189
60 4U9U FAD 0.000000001392 0.65371 33.0961
61 5GXU FAD 0.00000000006633 0.62083 35.473
62 2QTZ FAD 0.000000006374 0.6686 37.1622
63 2QTZ NAP 0.00000008301 0.47361 37.1622
64 3FJO FAD 0.000000002028 0.66892 37.5
65 3QFS NAP 0.00000001184 0.47599 38.1757
66 3QFS FAD 0.00000001184 0.47599 38.1757
67 1DDG FAD 0.000000001886 0.64857 38.8514
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