-->
Receptor
PDB id Resolution Class Description Source Keywords
4H2D 1.8 Å EC: 1.6.-.- CRYSTAL STRUCTURE OF NDOR1 HOMO SAPIENS OXIDOREDUCTASE
Ref.: MOLECULAR VIEW OF AN ELECTRON TRANSFER PROCESS ESSE IRON-SULFUR PROTEIN BIOGENESIS. PROC.NATL.ACAD.SCI.USA V. 110 7136 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:200;
B:201;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4H2D 1.8 Å EC: 1.6.-.- CRYSTAL STRUCTURE OF NDOR1 HOMO SAPIENS OXIDOREDUCTASE
Ref.: MOLECULAR VIEW OF AN ELECTRON TRANSFER PROCESS ESSE IRON-SULFUR PROTEIN BIOGENESIS. PROC.NATL.ACAD.SCI.USA V. 110 7136 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4H2D - FMN C17 H21 N4 O9 P 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 2 families.
1 4H2D - FMN C17 H21 N4 O9 P 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 1 families.
1 4H2D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4H2D; Ligand: FMN; Similar sites found with APoc: 168
This union binding pocket(no: 1) in the query (biounit: 4h2d.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5VEG FMN None
2 2PZE ATP None
3 5VKI THR NGA GAL NAG None
4 1T5B FMN None
5 2GNK ATP None
6 1SQL GUN None
7 5KK4 44E None
8 2NLQ GLY None
9 4PTZ FMN None
10 5JVB 2PO 1.21212
11 1A0J BEN 1.21212
12 5A7V MAN 1.28866
13 4G9N NGA 1.3986
14 1E5D FMN 1.81818
15 4CS9 AMP 1.81818
16 4YRI 4JH 1.81818
17 2POC BG6 2.42424
18 1XVV CCQ 2.42424
19 2ZJ3 G6P 2.42424
20 3QH2 3NM 2.42424
21 1ZTH ADP 2.42424
22 6EBQ FMN 2.5
23 4C0X FMN 3.0303
24 4C0X AQN 3.0303
25 3T5M AMP 3.0303
26 3GDN MXN 3.0303
27 1RYO OXL 3.0303
28 3QVP FAD 3.0303
29 4FRZ ADP 3.0303
30 4B2D FBP 3.0303
31 3H4S ADP 3.0303
32 5TP0 BRN 3.0303
33 4IF4 BEF 3.0303
34 3WCS MAN NAG 3.0303
35 1O5O U5P 3.0303
36 2WET FAD 3.0303
37 1UJ5 5RP 3.0303
38 5LV1 78T 3.0303
39 3NBC LAT 3.37838
40 6FRN FMN 3.63636
41 4YQE PLQ 3.63636
42 2AWN ADP 3.63636
43 2Y91 98J 3.63636
44 4RM0 FUC NDG GAL 3.63636
45 1GVF PGH 3.63636
46 4XJ7 ADN 3.63636
47 4X1B MLI 3.63636
48 1GPE FAD 3.63636
49 4LTN NAI 3.63636
50 2F6U CIT 3.63636
51 1X9I G6Q 3.63636
52 4LTN FMN 3.63636
53 1OFZ FUL 3.63636
54 1OFZ FUC 3.63636
55 3N9R TD3 3.63636
56 1U1J MET 3.63636
57 1KNM LAT 3.84615
58 4N82 FMN 4.24242
59 3LN9 FLC 4.24242
60 1NML CIT 4.24242
61 1LJ8 NAD 4.24242
62 1M2W NAD 4.24242
63 3LGS ADE 4.24242
64 3HQP FDP 4.24242
65 4AMV F6R 4.24242
66 4KCT FDP 4.24242
67 3SJH LAR 4.24242
68 2OHH FMN 4.70297
69 1OBV FMN 4.84848
70 5LMC FMN 4.84848
71 2CXS F6P 4.84848
72 1KOJ PAN 4.84848
73 5FPE 3TR 4.84848
74 4AG5 ADP 4.84848
75 2Z9C DTC 4.84848
76 2Z9C FMN 4.84848
77 5O2J 2PO 4.84848
78 3EF0 ALF 4.84848
79 6FOG OXL 4.84848
80 5MJI 7O6 4.84848
81 4R8L ASP 4.84848
82 5IFK HPA 4.84848
83 5DNC ASN 4.84848
84 1QF5 GDP 4.84848
85 1QF5 RPL 4.84848
86 4OWK NGA 5.07246
87 4J56 FAD 5.26316
88 2CJU PHX 5.30973
89 6DAW ARG 5.45455
90 5WS9 AMP 5.45455
91 4TR9 38D 5.45455
92 5XWV 8H6 5.45455
93 2O66 FLC 5.92593
94 5T85 44G 6.06061
95 4LO2 GAL BGC 6.06061
96 2W58 ADP 6.06061
97 2BMB PMM 6.06061
98 2NZ2 ASP 6.06061
99 5NII FAD 6.06061
100 4R5M 4NO 6.06061
101 4R5M NAP 6.06061
102 4YMU ATP 6.06061
103 1LCF OXL 6.06061
104 3COB ADP 6.06061
105 4CP8 MLI 6.06061
106 4IP7 FBP 6.66667
107 2P4Y C03 6.66667
108 6B74 BEN 6.66667
109 4N65 FMN 7.07547
110 2O2C G6Q 7.27273
111 2WZF BGC 7.27273
112 2YG3 FAD 7.27273
113 1FUT 2GP 7.54717
114 2D24 XYS XYS 7.87879
115 1V6A TRE 7.87879
116 1AG9 FMN 8.48485
117 2FJK 13P 8.48485
118 1VMK GUN 8.48485
119 3QPB URA 8.48485
120 5F90 GLA GAL BGC 5VQ 8.97436
121 6GAQ FMN 9.09091
122 2OG7 AHB 9.09091
123 1T0I FMN 9.09091
124 1P4V GLY 9.09091
125 4BMO FMN 9.2437
126 1CZR FMN 9.69697
127 3KAP FMN 9.69697
128 2Q9U FMN 9.69697
129 3BY9 SIN 9.69697
130 5HV7 RBL 10.303
131 4DE2 DN3 10.303
132 5EOO CIT 10.303
133 1LYX PGA 10.303
134 6BYF CIT 10.303
135 1CX9 NHP 10.9091
136 2CBZ ATP 11.5152
137 3QDK QDK 11.5152
138 1GPJ CIT 11.5152
139 4OUJ LBT 12.1212
140 5E5U MLI 12.1212
141 5X2N ALA 12.1212
142 3GFS FMN 12.7273
143 2PS1 ORO 12.7273
144 3ITJ CIT 13.3333
145 1IXE CIT 13.9394
146 5NUL FMN 14.5455
147 6AM8 TRP 14.5455
148 4YRY FAD 15.7576
149 2WHX ADP 16.3636
150 3N39 FMN 17.5758
151 1RLJ FMN 18.1818
152 4ZRN UPG 19.3939
153 1RRC ADP 20
154 2WC1 FMN 25.4545
155 5K9B FMN 25.4545
156 4IVN BMX 26.6667
157 2FCR FMN 29.697
158 3F6R FMN 31.5152
159 1XXA ARG 32.0513
160 1AKV FMN 32.6531
161 4OXX FMN 35.8025
162 5LJI FMN 37.1622
163 6FSG FMN 38.0952
164 1BVY FMN 40.6061
165 3FJO FMN 41.8182
166 5GXU FMN 43.6364
167 4HEQ FMN 43.8356
168 1TLL FMN 46.6667
Pocket No.: 2; Query (leader) PDB : 4H2D; Ligand: FMN; Similar sites found with APoc: 60
This union binding pocket(no: 2) in the query (biounit: 4h2d.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1RP0 AHZ None
2 5DQY BEZ 1.81818
3 6ACS CIT 2.42424
4 5ZBC FAD 3.0303
5 4YQE FMN 3.63636
6 1REO FAD 3.63636
7 4RM0 FUC NAG GAL 3.63636
8 4U8P UDP 3.63636
9 1DQN IMU 3.63636
10 4U8P FDA 3.63636
11 2IID PHE 3.63636
12 2IID FAD 3.63636
13 2F2H XTG 3.63636
14 2Z3Y F2N 3.63636
15 2ZQO NGA 3.84615
16 4BWL MN9 4.24242
17 1HYH NAD 4.24242
18 5YT0 GDP 4.24242
19 1BZL FAD 4.24242
20 3QFA FAD 4.81696
21 4KFU ACP 4.84848
22 4UP4 GAL NAG 4.84848
23 1H0H 2MD 4.84848
24 3PA8 621 4.84848
25 4P83 U5P 4.84848
26 6FP4 FAD 4.84848
27 4BLW AMP 5.45455
28 4Z87 GDP 5.45455
29 4BLW SAH 5.45455
30 5G3U FDA 5.45455
31 3B4Y F42 5.45455
32 5G3U ITW 5.45455
33 4OOE NDP 5.45455
34 3L4S 3PG 5.45455
35 3L4S NAD 5.45455
36 1PVN MZP 5.85106
37 1YKJ FAD 6.66667
38 1YKJ PHB 6.66667
39 3KDM TES 6.66667
40 1U18 HSM 6.66667
41 1KOR SIN 6.66667
42 3AB4 THR 7.27273
43 2JB2 FAD 7.27273
44 2JB2 PHE 7.27273
45 2BTO GTP 7.87879
46 4WKB TDI 7.87879
47 1H82 GZZ 8.48485
48 1RM4 NDP 8.48485
49 2RAB FAD 8.48485
50 3AJ6 NGA 9.09091
51 1CT9 GLN 9.69697
52 4ONC 40B 9.69697
53 4UXU MLK 11.5152
54 2VG1 FPP 12.1212
55 2OYS FMN 13.3333
56 6AM8 PLT 14.5455
57 6AMI TRP 14.5455
58 6CUZ FEV 14.5455
59 3K7M FAD 16.9697
60 5XG5 A2G 28.2759
APoc FAQ
Feedback