Receptor
PDB id Resolution Class Description Source Keywords
1EWY 2.38 Å EC: 1.18.1.2 ANABAENA PCC7119 FERREDOXIN:FERREDOXIN-NADP+-REDUCTASE COMPLEX NOSTOC SP. PCC 7119 ELECTRON TRANSFER COMPLEX PHOTOSYNTHESIS PROTEIN-PROTEIN INTERACTION FERREDOXIN REDUCTASE OXIDOREDUCTASE
Ref.: CRYSTALLOGRAPHIC STUDIES OF THE INTERACTION BETWEEN THE FERREDOXIN-NADP+ REDUCTASE AND FERREDOXIN FROM THE CYANOBACTERIUM ANABAENA: LOOKING FOR THE ELUSIVE FERREDOXIN MOLECULE. ACTA CRYSTALLOGR.,SECT.D V. 56 1408 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:304;
B:1304;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES C:99;
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
1EWY 2.38 Å EC: 1.18.1.2 ANABAENA PCC7119 FERREDOXIN:FERREDOXIN-NADP+-REDUCTASE COMPLEX NOSTOC SP. PCC 7119 ELECTRON TRANSFER COMPLEX PHOTOSYNTHESIS PROTEIN-PROTEIN INTERACTION FERREDOXIN REDUCTASE OXIDOREDUCTASE
Ref.: CRYSTALLOGRAPHIC STUDIES OF THE INTERACTION BETWEEN THE FERREDOXIN-NADP+ REDUCTASE AND FERREDOXIN FROM THE CYANOBACTERIUM ANABAENA: LOOKING FOR THE ELUSIVE FERREDOXIN MOLECULE. ACTA CRYSTALLOGR.,SECT.D V. 56 1408 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1EWY - 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 1EWY - 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 : 1EWY; Ligand: FAD; Similar sites found: 60
This union binding pocket(no: 1) in the query (biounit: 1ewy.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F07 FAD 0.004914 0.42002 2.63158
2 2D37 FMN 0.01727 0.40382 3.40909
3 2D37 NAD 0.0184 0.40382 3.40909
4 3I7V B4P 0.01353 0.40737 3.73134
5 1T9M FMN 0.003047 0.406 3.73832
6 1VHZ APR 0.008664 0.42365 4.54545
7 1FLM FMN 0.00952 0.40489 5.10204
8 5E6O TRP GLU GLU LEU 0.01035 0.40947 5.9322
9 2G86 UMP 0.03201 0.41122 6.12245
10 5UDS ATP 0.009031 0.40793 7.69231
11 1KZL CRM 0.0004298 0.44558 8.16327
12 3VET ADP 0.0255 0.41777 8.16327
13 3VET TOY 0.03226 0.41777 8.16327
14 3R5Y F42 0.01605 0.40253 8.16327
15 3ZOD HQE 0.01869 0.40217 8.16327
16 4MSG 2C6 0.01262 0.41897 8.75576
17 3OZV FAD 0.00000009912 0.68397 8.91089
18 3OZV ECN 0.0000001706 0.67795 8.91089
19 4YHB FAD 0.00001008 0.55573 9.18367
20 1USF NAP 0.009551 0.42138 9.18367
21 1USF FMN 0.008026 0.42114 9.18367
22 3UEC ALA ARG TPO LYS 0.01321 0.41602 9.58904
23 1RL4 BL5 0.01677 0.41579 10.1064
24 1UXG NAD 0.009846 0.42851 13.2653
25 1EJE FMN 0.002177 0.40598 13.2653
26 4HMT FMN 0.003946 0.43294 14.2857
27 4HMT NNV 0.004244 0.43294 14.2857
28 5O0X FAD 0.0000007922 0.59986 14.433
29 4DS0 A2G GAL NAG FUC 0.02608 0.40584 15.3061
30 4G1V FAD 0.00000003008 0.68034 19.1419
31 1EP2 FAD 0.00006002 0.44336 20.4082
32 3A3B FMN 0.001913 0.44514 21.4286
33 3A3B RBF 0.002503 0.43947 21.4286
34 1QX4 FAD 0.000004294 0.58847 22.6277
35 1A8P FAD 0.0000002588 0.61758 22.8682
36 2QQC AG2 0.01874 0.4049 23.2143
37 2CND FAD 0.000000763 0.53522 23.3333
38 2QTZ NAP 0.00000002549 0.69922 23.4323
39 2QTZ FAD 0.000000003063 0.69922 23.4323
40 4U9U FAD 0.0000000003261 0.7551 24.5552
41 3W2E FAD 0.0000003604 0.65127 25.0923
42 3W2E NAD 0.0000003604 0.65127 25.0923
43 2EIX FAD 0.00000376 0.58021 26.3374
44 4DQL FAD 0.0000000004019 0.76091 30.363
45 4DQL NAP 0.000000001882 0.76091 30.363
46 4WQM FAD 0.0000000004981 0.75333 32.6531
47 2PIA FMN 0.000001989 0.57669 32.6531
48 3CRZ FAD 0.00000004694 0.57031 34.3234
49 3CRZ NAP 0.0000002226 0.44329 34.3234
50 5FA6 FMN 0.00000003797 0.73655 35.3135
51 5FA6 NAP 0.00000003969 0.73655 35.3135
52 5FA6 FAD 0.00000003797 0.73655 35.3135
53 3FJO FAD 0.000000004441 0.69186 35.3135
54 3QFS NAP 0.00000001136 0.72229 35.6436
55 3QFS FAD 0.00000001136 0.72229 35.6436
56 1TLL FAD 0.0000000001741 0.76402 35.9736
57 1F20 FAD 0.0000000006475 0.73768 35.9736
58 1DDG FAD 0.000000002549 0.71364 36.3036
59 5GXU FAD 0.0000000001899 0.78539 39.2739
60 1KRH FAD 0.0000000008557 0.7321 44.898
Pocket No.: 2; Query (leader) PDB : 1EWY; Ligand: FAD; Similar sites found: 14
This union binding pocket(no: 2) in the query (biounit: 1ewy.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VUZ NAG BMA NAG MAN MAN NAG NAG 0.02024 0.41494 3.87597
2 4CCW VKC 0.02559 0.40396 4.08163
3 3P7G MAN 0.02105 0.41471 4.79452
4 5EOO CIT 0.01612 0.41787 6.12245
5 1IG0 VIB 0.03315 0.40195 6.12245
6 3UVD MB3 0.03411 0.40979 6.45161
7 3FIU POP 0.006319 0.44258 7.14286
8 5B19 TLA 0.01761 0.41208 7.14286
9 2Y91 98J 0.01816 0.41249 7.54717
10 5DTK 5F3 0.01601 0.41419 8.30189
11 5N1X 8HH 0.01592 0.41339 9.18367
12 3QDW NDG 0.02337 0.4128 14.6853
13 3QDU CBS CBS 0.03549 0.40341 14.6853
14 3QDW A2G 0.0305 0.40104 14.6853
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