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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 25 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 17 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 9 families.
1 3MHP - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MHP; Ligand: FAD; Similar sites found with APoc: 129
This union binding pocket(no: 1) in the query (biounit: 3mhp.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5E6O TRP GLU GLU LEU None
2 1P0H ACO 1.01351
3 5D63 FUC GAL GLA 1.70648
4 4WCX MET 2.02703
5 1KQR MNA 2.23464
6 5EOO CIT 2.26415
7 4G6I RS3 2.38095
8 4BUY F37 2.5
9 1KHT AMP 2.60417
10 1IG0 VIB 2.7027
11 3NW7 LGV 2.7027
12 6EK3 OUL 2.71493
13 5THY SAH 2.71605
14 3FIU POP 2.81124
15 1ZUW DGL 2.94118
16 1DKU AP2 3.04054
17 1G79 FMN 3.21101
18 1G79 PLP 3.21101
19 1USF NAP 3.37079
20 1USF FMN 3.37079
21 4BC5 5FX 3.37838
22 3EKK GS2 3.37838
23 2AJH MET 3.57143
24 4DS0 A2G GAL NAG FUC 3.68098
25 4KOT CE3 3.7037
26 3CB0 FMN 4.04624
27 1JGT APC 4.05405
28 1JGT CMA 4.05405
29 4LY9 1YY 4.23862
30 1RL4 BL5 4.25532
31 3F5A SIA GAL NAG 4.47154
32 1EP2 FAD 4.5977
33 5LYH 7B8 4.66321
34 4QVB F42 4.7619
35 3R3V FAH 5.06757
36 2VOH CIT 5.09554
37 3I7V B4P 5.22388
38 5VKM GAL SIA 5.40541
39 4RHS SIA SIA GAL 5.7377
40 2V2G BEZ 6.00858
41 2IDO TMP 6.0241
42 1KZL CRM 6.25
43 1FLM FMN 6.55738
44 1ME8 RVP 6.95825
45 4YHB FAD 6.95971
46 1R1Q ACE ARG GLU PTR VAL ASN VAL 7
47 2GZM DGL 7.11611
48 4WOH 4NP 7.22892
49 5O0X FAD 7.56014
50 1VHZ APR 7.57576
51 1WK8 VMS 7.69231
52 4WQM FAD 8.44595
53 1T9M FMN 8.8785
54 4NV1 TYD 9.46502
55 3QDV NDG 9.79021
56 3QDX CBS 9.79021
57 3QDY CBS 9.79021
58 3QDW NDG 9.79021
59 3QDU CBS CBS 9.79021
60 3UEC ALA ARG TPO LYS 10.274
61 2XHK AKG 11.2613
62 2QQC AG2 11.3208
63 2QQD AG2 11.3208
64 4YRY NAD 11.5385
65 4YRY FAD 11.5385
66 1N13 AG2 11.5385
67 1XVB BHL BHL 11.5385
68 1MT1 AG2 11.5385
69 2R5N RP5 11.5385
70 2R5N TPP 11.5385
71 4V36 LYN 11.8243
72 5WHT SIA GAL 12.3188
73 5WHT SIA GAL GLC 12.3188
74 5WHT SIA 12.3188
75 2PIA FMN 12.8378
76 6GEH FAD 13.6719
77 4HMT NNV 14.2222
78 4HMT FMN 14.2222
79 3B6R CRN 15.3846
80 3UYW TAU 15.8879
81 1QX4 FAD 16.2162
82 4LO6 SIA GAL 16.3158
83 3K87 FAD 17.2973
84 4G1V FAD 18.2432
85 3FXU TSU 19.2308
86 4XPQ FUL 19.2308
87 1FKB RAP 20.5607
88 3W2E FAD 21.2838
89 3W2E NAD 21.2838
90 2EIX FAD 21.6216
91 5YLY FAD 22.2603
92 2CND FAD 22.973
93 1PVC ILE SER GLU VAL 23.0769
94 4F07 FAD 23.0769
95 4ONT SIA GAL BGC 23.0769
96 1D4D FAD 23.0769
97 5WS9 ATP 23.0769
98 3A3B RBF 23.3108
99 3A3B FMN 23.3108
100 1KRH FAD 23.6486
101 1A8P FAD 26.0135
102 3CRZ FAD 26.3514
103 3CRZ NAP 26.3514
104 1NE7 16G 26.9231
105 2B9W FAD 26.9231
106 5OGX FAD 30.7692
107 3OZV ECN 30.7692
108 3OZV FAD 30.7692
109 1WLJ U5P 30.7692
110 4HMX WUB 30.7692
111 2CHT TSA 30.7692
112 3BY9 SIN 30.7692
113 4HMX FMN 30.7692
114 1F20 FAD 31.0811
115 1TLL FAD 31.0811
116 4DQL FAD 31.4189
117 4DQL NAP 31.4189
118 4U9U FAD 33.0961
119 5GXU FAD 35.473
120 2QTZ FAD 37.1622
121 2QTZ NAP 37.1622
122 5FA6 FMN 37.5
123 5FA6 NAP 37.5
124 5FA6 FAD 37.5
125 3FJO FAD 37.5
126 3QFS FAD 38.1757
127 3QFS NAP 38.1757
128 1DDG FAD 38.8514
129 5JCA FAD 42.3077
Pocket No.: 2; Query (leader) PDB : 3MHP; Ligand: FAD; Similar sites found with APoc: 15
This union binding pocket(no: 2) in the query (biounit: 3mhp.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2I5F 5IP None
2 5GQI CTP 2.02429
3 2P3I MNA 2.48447
4 1RZU ADP 2.7027
5 2V5K OXM 3.48432
6 4LY9 S6P 4.23862
7 2PL3 ADP 4.66102
8 1VAY AZA 5.22648
9 3AJ4 SEP 7.14286
10 5XQL C2E 7.56014
11 6BXL SAM 7.69231
12 1OYY AGS 15.3846
13 6FHQ DE5 15.5172
14 2VWT PYR 38.4615
15 2R5A MLZ 42.3077
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