Receptor
PDB id Resolution Class Description Source Keywords
5H5J 2.5 Å EC: 1.18.1.2 COMPLEX BETWEEN FERREDOXIN AND FERREDOXIN-NADP+ REDUCTASE FR ROOT ZEA MAYS ELECTRON TRANSFER COMPLEX OXIDOREDUCTASE-ELECTRON TRANSPORT
Ref.: STRUCTURAL BASIS FOR THE ISOTYPE-SPECIFIC INTERACTI FERREDOXIN AND FERREDOXIN: NADP(+) OXIDOREDUCTASE: EVOLUTIONARY SWITCH BETWEEN PHOTOSYNTHETIC AND HETE ASSIMILATION PHOTOSYN. RES. 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD C:401;
A:401;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES B:101;
Part of Protein;
none;
submit data
175.82 Fe2 S2 S1[Fe...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5H5J 2.5 Å EC: 1.18.1.2 COMPLEX BETWEEN FERREDOXIN AND FERREDOXIN-NADP+ REDUCTASE FR ROOT ZEA MAYS ELECTRON TRANSFER COMPLEX OXIDOREDUCTASE-ELECTRON TRANSPORT
Ref.: STRUCTURAL BASIS FOR THE ISOTYPE-SPECIFIC INTERACTI FERREDOXIN AND FERREDOXIN: NADP(+) OXIDOREDUCTASE: EVOLUTIONARY SWITCH BETWEEN PHOTOSYNTHETIC AND HETE ASSIMILATION PHOTOSYN. RES. 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 5H5J - 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 5H5J - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1EWY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 5H5J - 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 : 5H5J; Ligand: FAD; Similar sites found: 63
This union binding pocket(no: 1) in the query (biounit: 5h5j.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CQK PIO 0.02207 0.40567 None
2 1T9M FMN 0.006001 0.40654 2.80374
3 2D24 XYS XYS 0.004923 0.43775 5.15464
4 1KNM LAT 0.01621 0.40781 5.15464
5 1WK8 VMS 0.01606 0.4019 5.15464
6 5FUI APY 0.002458 0.43332 5.30303
7 1R1Q ACE ARG GLU PTR VAL ASN VAL 0.02174 0.40965 6
8 5KJW 53C 0.02965 0.40281 6.18557
9 2BVE PH5 0.0212 0.40584 6.72269
10 1XVB BHL BHL 0.02297 0.4114 7.2165
11 4RHS SIA SIA GAL 0.01234 0.4125 7.37705
12 4ONT SIA GAL BGC 0.02128 0.40409 7.75194
13 5O0X FAD 0.000006096 0.56685 7.90378
14 2AWN ADP 0.03864 0.40023 9.06149
15 3BY9 SIN 0.00893 0.42753 9.27835
16 1NE7 16G 0.01127 0.41826 9.27835
17 3QDU CBS CBS 0.0159 0.41779 9.79021
18 3K0T BGC 0.003706 0.45632 10.3093
19 3B9Q MLI 0.008915 0.42382 10.3093
20 2OG2 MLI 0.02599 0.4114 10.3093
21 1WLJ U5P 0.01633 0.40436 10.3093
22 4OWK NGA 0.03906 0.40079 11.5942
23 1KZL CRM 0.001213 0.45609 12.3711
24 5E6O TRP GLU GLU LEU 0.006982 0.42398 12.7119
25 3I7V B4P 0.009541 0.45276 13.4021
26 1N13 AG2 0.01342 0.41642 14.1593
27 2QQC AG2 0.01521 0.41349 14.2857
28 1KQR MNA 0.006814 0.40991 14.433
29 3OZV FAD 0.0000001813 0.42903 14.5631
30 3OZV ECN 0.0000002243 0.40532 14.5631
31 3A3B FMN 0.001201 0.46183 15.2632
32 3A3B RBF 0.001605 0.45559 15.2632
33 3W2E NAD 0.0000004549 0.42951 16.2362
34 3W2E FAD 0.0000004549 0.42951 16.2362
35 4WCX MET 0.01009 0.41583 16.4948
36 4WOH 4NP 0.02093 0.41539 16.8675
37 3CRZ FAD 0.0000002257 0.56897 17.5258
38 3CRZ NAP 0.000001078 0.44153 17.5258
39 1PVC ILE SER GLU VAL 0.003378 0.44368 17.6471
40 4DS0 A2G GAL NAG FUC 0.00582 0.43652 18.5567
41 1QX4 FAD 0.000002798 0.43848 19.708
42 1A8P FAD 0.000001112 0.55256 22.4806
43 2CND FAD 0.0000009849 0.55455 23.3333
44 4BC5 5FX 0.01143 0.41084 23.7113
45 2QTZ FAD 0.000000009753 0.66049 26.8608
46 2QTZ NAP 0.0000001201 0.47088 26.8608
47 2EIX FAD 0.000002587 0.47792 27.572
48 4DQL FAD 0.0000000001339 0.64836 29.1262
49 4DQL NAP 0.0000000007315 0.50374 29.1262
50 1TLL FAD 0.0000000003206 0.69656 29.7735
51 1F20 FAD 0.0000000005464 0.68716 29.7735
52 4G1V FAD 0.0003896 0.50213 29.7735
53 4U9U FAD 0.0000000001057 0.69924 30.605
54 4YHB FAD 0.00002812 0.45415 30.9278
55 3FJO FAD 0.000000003979 0.67757 32.3625
56 5GXU FAD 0.000000000318 0.60024 32.3625
57 3QFS FAD 0.000000004371 0.48752 32.3625
58 3QFS NAP 0.000000004371 0.48752 32.3625
59 4WQM FAD 0.00000001613 0.58938 32.9897
60 2PIA FMN 0.00001036 0.51256 35.0515
61 1KRH FAD 0.00000001648 0.62725 38.1443
62 2VOH CIT 0.01863 0.42633 38.4615
63 1DDG FAD 0.000000001436 0.65318 39.1586
Pocket No.: 2; Query (leader) PDB : 5H5J; Ligand: FAD; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 5h5j.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DKU AP2 0.009953 0.40867 3.55987
2 4HMX FMN 0.008548 0.40889 4.65116
3 2HBL AMP 0.01734 0.40446 5.15464
4 1VHZ APR 0.01948 0.41254 6.18557
5 3B6R CRN 0.02942 0.40842 7.2165
6 2AJH MET 0.01091 0.42253 8.16327
7 1JOC ITP 0.01523 0.41413 9.6
8 5XQL C2E 0.02733 0.40438 10.6529
9 4N14 WR7 0.002435 0.4411 11.3402
10 3X27 TRP 0.0191 0.40399 15.4639
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