Receptor
PDB id Resolution Class Description Source Keywords
1FFU 2.35 Å EC: 3.-.-.- CARBON MONOXIDE DEHYDROGENASE FROM HYDROGENOPHAGA PSEUDOFLAVA WHICH LACKS THE MO-PYRANOPTERIN MOIETY OF THE M OLYBDENUM COFACTOR HYDROGENOPHAGA PSEUDOFLAVA HYDROLASE DEHYDROGENASE
Ref.: THE EFFECT OF INTRACELLULAR MOLYBDENUM IN HYDROGENOPHAGA PSEUDOFLAVA ON THE CRYSTALLOGRAPHIC STRUCTURE OF THE SELENO-MOLYBDO-IRON-SULFUR FLAVOENZYME CARBON MONOXIDE DEHYDROGENASE. J.MOL.BIOL. V. 301 1221 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CDP B:1920;
E:1921;
Valid;
Valid;
none;
none;
submit data
403.176 C9 H15 N3 O11 P2 C1=CN...
FAD C:1930;
F:1931;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES A:1907;
A:1908;
D:1909;
D:1910;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FFU 2.35 Å EC: 3.-.-.- CARBON MONOXIDE DEHYDROGENASE FROM HYDROGENOPHAGA PSEUDOFLAVA WHICH LACKS THE MO-PYRANOPTERIN MOIETY OF THE M OLYBDENUM COFACTOR HYDROGENOPHAGA PSEUDOFLAVA HYDROLASE DEHYDROGENASE
Ref.: THE EFFECT OF INTRACELLULAR MOLYBDENUM IN HYDROGENOPHAGA PSEUDOFLAVA ON THE CRYSTALLOGRAPHIC STRUCTURE OF THE SELENO-MOLYBDO-IRON-SULFUR FLAVOENZYME CARBON MONOXIDE DEHYDROGENASE. J.MOL.BIOL. V. 301 1221 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 283 families.
1 1FFV - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
2 1FFU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 235 families.
1 1FFV - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
2 1FFU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1N61 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1N5W - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 1ZXI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 1N62 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 1N63 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 1N60 - MCN C19 H22 N8 O13 P2 S2 C1=CN(C(=O....
7 1FFV - PCD C19 H26 Mo N8 O16 P2 S2 C1=CN(C(=O....
8 1FFU - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CDP; Similar ligands found: 97
No: Ligand ECFP6 Tc MDL keys Tc
1 CDP 1 1
2 CTP 0.895522 1
3 HF4 0.895522 1
4 CAR 0.787879 0.985507
5 C 0.787879 0.985507
6 C5P 0.787879 0.985507
7 0RC 0.77027 0.918919
8 7XL 0.77027 0.944444
9 2TM 0.743243 0.958333
10 C2G 0.74026 0.957747
11 CDC 0.725 0.82716
12 C5G 0.707317 0.944444
13 CDM 0.695122 0.894737
14 CXY 0.678571 0.944444
15 CTN 0.636364 0.857143
16 AR3 0.636364 0.857143
17 C C C C 0.623529 0.916667
18 1AA 0.619565 0.906667
19 C C 0.607143 0.929577
20 UDP 0.605263 0.942029
21 I5A 0.602941 0.816901
22 YYY 0.582278 0.90411
23 GCQ 0.560976 0.90411
24 C3P 0.56 0.942857
25 MCN 0.557692 0.819277
26 PMT 0.554455 0.85
27 91P 0.553398 0.851852
28 UTP 0.54321 0.942029
29 2AA 0.542857 0.693878
30 16B 0.538462 0.917808
31 CSQ 0.536842 0.905405
32 CSV 0.536842 0.905405
33 U5F 0.536585 0.942029
34 DCP 0.535714 0.90411
35 GTF 0.523256 0.90411
36 C2P 0.519481 0.957143
37 PCD 0.517857 0.781609
38 FN5 0.509434 0.871795
39 GPC 0.509091 0.819277
40 CSF 0.504587 0.871795
41 DKZ 0.5 0.746667
42 HQ5 0.48913 0.758621
43 DCT 0.488372 0.90411
44 UNP 0.488372 0.915493
45 TKW 0.4875 0.971429
46 G C 0.481818 0.8375
47 5GW 0.477778 0.890411
48 5HM 0.47561 0.958333
49 YSC 0.469388 0.767442
50 A C A C 0.464912 0.835443
51 DC 0.463415 0.890411
52 DCM 0.463415 0.890411
53 U A C C 0.452174 0.846154
54 UPP 0.451613 0.888889
55 UDH 0.451613 0.844156
56 G8D 0.450549 0.907895
57 U5P 0.45 0.927536
58 U 0.45 0.927536
59 C5P SIA 0.447368 0.893333
60 GDU 0.446809 0.888889
61 URM 0.446809 0.876712
62 UFM 0.446809 0.888889
63 GUD 0.446809 0.888889
64 660 0.446809 0.876712
65 UPG 0.446809 0.888889
66 8OD 0.445652 0.855263
67 UPU 0.444444 0.887324
68 G G G C 0.444444 0.85
69 4GW 0.443299 0.866667
70 A G C C 0.440678 0.848101
71 DOC 0.439024 0.890411
72 M7G 0.43617 0.829268
73 U2F 0.43299 0.842105
74 UFG 0.43299 0.842105
75 UPF 0.43299 0.842105
76 2KH 0.431818 0.915493
77 G C C C 0.42623 0.860759
78 CG2 0.421053 0.873418
79 A U C C 0.420635 0.835443
80 G3N 0.42 0.890411
81 UDP UDP 0.418605 0.885714
82 UAD 0.418367 0.888889
83 UDX 0.418367 0.888889
84 44P 0.416667 0.902778
85 3UC 0.415842 0.842105
86 M7M 0.412371 0.797619
87 8GT 0.410526 0.907895
88 USQ 0.41 0.780488
89 UGB 0.41 0.901408
90 V12 0.41 0.75
91 UGA 0.41 0.901408
92 UP5 0.405405 0.857143
93 GEO 0.405063 0.783784
94 UDM 0.403846 0.864865
95 H6Y 0.402062 0.855263
96 NVG 0.401961 0.731707
97 CTP C C C C 0.4 0.915493
Ligand no: 2; Ligand: FAD; Similar ligands found: 136
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 SAP 0.484615 0.811765
23 AGS 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 ATP 0.48062 0.851852
27 HEJ 0.48062 0.851852
28 AP5 0.480315 0.875
29 B4P 0.480315 0.875
30 ADP 0.480315 0.851852
31 ANP 0.477273 0.831325
32 5FA 0.476923 0.851852
33 AQP 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 AT4 0.465116 0.821429
40 AN2 0.465116 0.841463
41 HQG 0.463235 0.841463
42 AD9 0.462121 0.831325
43 3OD 0.460993 0.876543
44 RBF 0.460938 0.790123
45 FB0 0.460606 0.835165
46 139 0.460526 0.858824
47 AP0 0.46 0.835294
48 A22 0.459854 0.864198
49 ACP 0.458015 0.853659
50 8QN 0.456522 0.864198
51 PRX 0.454545 0.831325
52 A1R 0.453237 0.86747
53 A3R 0.453237 0.86747
54 G3A 0.452055 0.902439
55 T5A 0.45098 0.872093
56 G5P 0.44898 0.902439
57 ATF 0.448529 0.821429
58 50T 0.44697 0.819277
59 OZV 0.446043 0.851852
60 6YZ 0.445255 0.853659
61 ACQ 0.444444 0.853659
62 CNV FAD 0.443182 0.917647
63 PAJ 0.442857 0.847059
64 ADQ 0.442857 0.853659
65 8LE 0.441176 0.855422
66 5AL 0.441176 0.864198
67 CA0 0.439394 0.853659
68 ADX 0.439394 0.775281
69 8LQ 0.438849 0.865854
70 A4P 0.437909 0.831461
71 25L 0.4375 0.864198
72 P33 FDA 0.436464 0.817204
73 KG4 0.43609 0.853659
74 5SV 0.435714 0.793103
75 8LH 0.434783 0.843373
76 OMR 0.434211 0.818182
77 TXE 0.434211 0.890244
78 45A 0.434109 0.829268
79 ABM 0.434109 0.829268
80 AMP 0.433071 0.82716
81 A 0.433071 0.82716
82 4AD 0.432624 0.855422
83 ADJ 0.432258 0.818182
84 B5Y 0.431507 0.878049
85 B5M 0.431507 0.878049
86 BIS 0.430556 0.802326
87 SRA 0.429688 0.788235
88 AFH 0.42953 0.825581
89 NXX 0.427632 0.865854
90 UP5 0.427632 0.878049
91 TXD 0.427632 0.890244
92 6V0 0.427632 0.857143
93 DND 0.427632 0.865854
94 DQV 0.426667 0.8875
95 SRP 0.42446 0.843373
96 PR8 0.423611 0.837209
97 TAT 0.423358 0.821429
98 T99 0.423358 0.821429
99 AMO 0.422535 0.865854
100 FYA 0.42069 0.864198
101 TXA 0.42069 0.865854
102 PTJ 0.42069 0.835294
103 CNA 0.420382 0.865854
104 00A 0.41958 0.823529
105 AHX 0.41958 0.835294
106 MAP 0.41844 0.811765
107 NAI 0.418301 0.845238
108 AU1 0.41791 0.831325
109 AP2 0.416667 0.843373
110 A12 0.416667 0.843373
111 9ZA 0.415493 0.845238
112 9ZD 0.415493 0.845238
113 25A 0.415493 0.851852
114 COD 0.415094 0.842697
115 4TC 0.412903 0.879518
116 APC 0.411765 0.843373
117 ME8 0.410959 0.806818
118 NB8 0.410959 0.835294
119 1ZZ 0.410959 0.806818
120 ADP MG 0.410448 0.82716
121 NAX 0.409091 0.837209
122 4UW 0.409091 0.825581
123 F2R 0.408805 0.850575
124 RBY 0.408759 0.843373
125 ADV 0.408759 0.843373
126 P1H 0.405882 0.818182
127 OOB 0.405594 0.864198
128 A A 0.40411 0.829268
129 LAD 0.40411 0.825581
130 UPA 0.403846 0.86747
131 4UU 0.401316 0.833333
132 GA7 0.401316 0.865854
133 A3D 0.401235 0.876543
134 80F 0.401235 0.808989
135 XAH 0.4 0.806818
136 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1FFU; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ffu.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1FFU; Ligand: CDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ffu.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1FFU; Ligand: FAD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1ffu.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1FFU; Ligand: CDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1ffu.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback