-->
Receptor
PDB id Resolution Class Description Source Keywords
1KQF 1.6 Å EC: 1.2.1.2 FORMATE DEHYDROGENASE N FROM E. COLI ESCHERICHIA COLI OXIDOREDUCTASE SELENIUM SELENOCYSTEINE SECYS MOLYBDENUMMOLYBDOPTERIN MPT MOLYBDOPTERIN GUANINE DINUCLEOTIDE MGDSULFUR CLUSTER FE4S4 FORMATE DEHYDROGENASE ANAEROBIC IMEMBRANE PROTEIN
Ref.: MOLECULAR BASIS OF PROTON MOTIVE FORCE GENERATION: OF FORMATE DEHYDROGENASE-N. SCIENCE V. 295 1863 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6MO A:1016;
Part of Protein;
none;
submit data
95.94 Mo [Mo+6...
CDL C:812;
Invalid;
none;
submit data
1464.04 C81 H156 O17 P2 CCCCC...
HEM C:809;
C:810;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
MGD A:1018;
A:1019;
Valid;
Valid;
none;
none;
submit data
740.557 C20 H26 N10 O13 P2 S2 c1nc2...
SF4 A:1017;
B:805;
B:806;
B:807;
B:808;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KQF 1.6 Å EC: 1.2.1.2 FORMATE DEHYDROGENASE N FROM E. COLI ESCHERICHIA COLI OXIDOREDUCTASE SELENIUM SELENOCYSTEINE SECYS MOLYBDENUMMOLYBDOPTERIN MPT MOLYBDOPTERIN GUANINE DINUCLEOTIDE MGDSULFUR CLUSTER FE4S4 FORMATE DEHYDROGENASE ANAEROBIC IMEMBRANE PROTEIN
Ref.: MOLECULAR BASIS OF PROTON MOTIVE FORCE GENERATION: OF FORMATE DEHYDROGENASE-N. SCIENCE V. 295 1863 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1KQF - MGD C20 H26 N10 O13 P2 S2 c1nc2c(n1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1KQF - MGD C20 H26 N10 O13 P2 S2 c1nc2c(n1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1KQF - MGD C20 H26 N10 O13 P2 S2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MGD; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 MGD 1 1
2 PGD O 0.706349 0.954023
3 2MD 0.694215 1
4 G1R 0.636364 0.880952
5 GP3 0.635514 0.892857
6 GNH 0.623853 0.880952
7 GSP 0.616071 0.894118
8 GDP 0.614679 0.891566
9 GTP 0.612613 0.891566
10 PGD 0.606061 0.963855
11 GCP 0.59292 0.870588
12 G2R 0.589744 0.860465
13 9GM 0.587719 0.870588
14 GNP 0.587719 0.870588
15 GMV 0.584071 0.870588
16 Y9Z 0.578512 0.813187
17 G 0.568807 0.879518
18 5GP 0.568807 0.879518
19 GFB 0.560976 0.882353
20 GDR 0.560976 0.882353
21 G3A 0.556452 0.892857
22 GDD 0.552846 0.882353
23 GKE 0.552846 0.882353
24 GDC 0.552846 0.882353
25 G5P 0.552 0.892857
26 GAV 0.550847 0.904762
27 GTG 0.548387 0.862069
28 GKD 0.547619 0.882353
29 MD1 0.547445 0.97619
30 6CK 0.544 0.862069
31 GP2 0.54386 0.860465
32 NGD 0.541985 0.882353
33 MTE 0.541284 0.855422
34 JB2 0.535433 0.882353
35 G2P 0.533898 0.860465
36 GPG 0.532787 0.882353
37 YGP 0.532258 0.895349
38 GDX 0.53125 0.892857
39 GPD 0.53125 0.852273
40 JB3 0.522727 0.872093
41 FEG 0.518797 0.813187
42 ALF 5GP 0.516949 0.8
43 ZGP 0.514925 0.844444
44 CAG 0.507246 0.815217
45 GDP AF3 0.504065 0.8
46 GDP ALF 0.504065 0.8
47 ALF GDP 0.504065 0.8
48 PTE 0.503937 0.827586
49 G G 0.5 0.870588
50 U2G 0.496296 0.905882
51 G3D 0.495868 0.879518
52 0O2 0.484127 0.879518
53 CG2 0.478261 0.905882
54 TPG 0.475862 0.879121
55 G4P 0.475806 0.879518
56 GDP 7MG 0.469697 0.83908
57 GMP 0.46789 0.785714
58 DBG 0.465753 0.872093
59 3GP 0.456897 0.845238
60 FE9 0.455172 0.852632
61 G1R G1R 0.445946 0.850575
62 G1G 0.438356 0.852273
63 G4M 0.435897 0.815217
64 GCP G 0.435115 0.823529
65 GH3 0.433071 0.869048
66 G A A A 0.430556 0.848837
67 A G 0.430556 0.858824
68 U A G G 0.427586 0.858824
69 R5I 0.424 0.845238
70 R7I 0.424 0.845238
71 DGT 0.417323 0.827586
72 GPX 0.415385 0.845238
73 2GP 0.408333 0.857143
74 DGI 0.408 0.827586
75 IDP 0.403226 0.86747
76 AKW 0.402778 0.863636
77 BGO 0.402778 0.850575
78 P2G 0.401639 0.790698
79 G U 0.4 0.872093
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KQF; Ligand: MGD; Similar sites found with APoc: 114
This union binding pocket(no: 1) in the query (biounit: 1kqf.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 1FP2 SAH 2.27273
3 4K10 NI9 2.76243
4 2HIM ASN 3.40136
5 4KIB SAH 3.40136
6 5N53 8NB 3.58974
7 2AOT SAH 3.76712
8 1RJW ETF 3.83481
9 2ZX2 RAM 4.10256
10 1SJD NPG 4.14747
11 1ZGA SAH 4.14747
12 6ACS CIT 4.26357
13 3EGI ADP 4.36893
14 3GWZ SAH 4.42177
15 5F7J ADE 4.60829
16 3BJE URA 4.60829
17 4RL4 PPV 4.71698
18 2CDU ADP 5.0885
19 1TMO 2MD 5.10204
20 5ME4 HP4 5.10949
21 5IFK HPA 5.12821
22 5O0X FAD 5.15464
23 5ETJ IM5 5.24691
24 5DEQ ARA 5.26316
25 3RKR NAP 5.34351
26 1D4O NAP 5.43478
27 3U31 NAD 5.51724
28 2IZ1 ATR 5.52995
29 1C3X 8IG 5.6391
30 4Y9D NAI 5.78231
31 1VKF CIT 5.85106
32 1BW9 NAD 5.89888
33 1L1E SAH 5.92335
34 5A3B APR 5.94059
35 1NE6 SP1 5.99078
36 5DNK SAH 5.99078
37 5XLS URA 6.12245
38 3TKY SAH 6.12245
39 1RVX SIA GAL NAG 6.25
40 2CYC TYR 6.45161
41 5IFS ADP 6.46258
42 1V6A TRE 6.46258
43 3UBQ SIA GAL 6.77966
44 2Q28 ADP 6.91244
45 3QPB URA 7.0922
46 5XNC MTA 7.14286
47 4ZXA H8N 7.14286
48 2GL0 ADN 7.18563
49 4KU7 PCG 7.18954
50 5MTE BB2 7.29927
51 2QQF A1R 7.37327
52 1V59 NAD 7.37327
53 5D4V SAH 7.46269
54 1P31 EPU 8
55 3LST SAH 8.04598
56 4X8D AVI 8.05369
57 3PNA CMP 8.44156
58 5H4S RAM 8.4507
59 4D5G FAD 8.5034
60 4D5G TPP 8.5034
61 2J0B UDP 8.57143
62 1DCP HBI 8.65385
63 2JHP SAH 8.75576
64 3PA8 621 8.75576
65 3N9R TD3 8.79479
66 1WS5 MMA 9.02256
67 5HGZ MLA 9.0535
68 4IF4 BEF 9.13461
69 2VT3 ATP 9.30233
70 1M2K APR 9.63855
71 4WCX MET 9.67742
72 2P4S DIH 9.67742
73 1DJL NAP 10.1449
74 4U5I BXP 10.2041
75 1EU1 MGD 10.5128
76 1EJ0 SAM 10.5556
77 2GRU EXO 10.5991
78 2BKK ADP 10.6061
79 5L4R CPT 10.628
80 4B2D SER 10.8844
81 4OSP 2V4 11.0599
82 2OOR TXP 11.0599
83 2XIG CIT 11.3333
84 4JWK CTN 11.399
85 1UAY ADN 11.5702
86 2WR9 MAN MAN 11.7188
87 1KYQ NAD 12.4088
88 5BW4 SAM 13.1086
89 5ZHW DAL DAL 13.1579
90 2FKA BEF 13.1783
91 6F5Z SAH 13.8528
92 3OF1 CMP 15.0407
93 2E7Z MGD 15.1307
94 4JCA CIT 16.1677
95 4YAC NAI 16.4983
96 1G8K MGD 17.2932
97 1R27 MGD 17.9724
98 1DMR PGD 19.0765
99 3N7S 3N7 19.1304
100 1ZOY UQ1 19.4175
101 3FGZ BEF 20.3125
102 4CQM NAP 20.6897
103 1L5Y BEF 22.5806
104 3E3U NVC 23.3503
105 1LSS NAD 23.5714
106 4YDD MGD 27.8912
107 4YDD MD1 27.8912
108 2NYA MGD 29.798
109 3ML1 MGD 29.8005
110 2V3V MGD 29.8755
111 2IVF MD1 29.932
112 2IVF MGD 29.932
113 6CZ7 MGD 36.7521
114 2VPY MGD 48.7179
Pocket No.: 2; Query (leader) PDB : 1KQF; Ligand: MGD; 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: 1kqf.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1KQF; Ligand: MGD; 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: 1kqf.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1KQF; Ligand: MGD; Similar sites found with APoc: 92
This union binding pocket(no: 4) in the query (biounit: 1kqf.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5FPE 3TR 2.04082
2 6H45 QEI 3.06122
3 3ZG6 APR 3.40136
4 5A7Y SAH 3.40136
5 6F5W KG1 3.68664
6 3OFK SAH 3.7037
7 1CEN BGC BGC 3.7415
8 3IP8 B85 4.03226
9 5MBC FMN 4.08163
10 1MDB AMP DBH 4.14747
11 2Z6J TUI 4.51807
12 2NU8 COA 5.06912
13 4IWN GEK 5.06912
14 5W7K SAH 5.44872
15 4RDH AMP 5.52995
16 4RDI ATP 5.52995
17 2PNZ 5GP 5.62249
18 4D79 ATP 5.7971
19 1KPG SAH 5.92335
20 4RDN 6MD 5.98802
21 1YXM ADE 5.99078
22 5WP5 SAH 5.99078
23 2O1O RIS 5.99078
24 2XVM SAH 6.03015
25 1WB4 SXX 6.06061
26 4QTU SAM 6.25
27 5Z20 OXM 6.45161
28 4U8P UDP 6.46258
29 2X2T GAL NGA 6.53595
30 4C2G ALA ALA ALA ALA 6.72646
31 3NIP 16D 6.74847
32 4NEC SAH 6.81818
33 3VU2 CEX 6.91244
34 5MGZ SAH 6.91244
35 1KPH SAH 6.96864
36 6GKV SAH 7.14286
37 2F7C CCU 7.29614
38 4KRI SAH 7.37327
39 3I9U DTU 7.37327
40 5KOK SAH 7.37327
41 1PJS NAD 7.37327
42 5H6S HDH 7.37327
43 3LCC SAH 7.37327
44 5FYR INS 7.38255
45 2XUA SHF 7.5188
46 3K56 IS3 7.5188
47 6BR7 BEF 7.5188
48 3G89 SAM 7.63052
49 3QH2 3NM 7.69231
50 6ECU SAH 8.22785
51 3VSE SAH 8.29493
52 1PNO NAP 8.33333
53 4OBW SAM 8.94942
54 4WOH 4NP 9.03614
55 4PNE SAH 9.18367
56 5GM1 SAH 9.18367
57 2FK8 SAM 9.21659
58 1A5Z FBP 9.40439
59 5Z21 OXM 9.67742
60 3CW9 AMP 9.67742
61 3JWH SAH 9.67742
62 5JGL SAM 9.68858
63 5W7M SAH 9.86395
64 1ZEM NAD 9.92366
65 1T3D CYS 10.1382
66 4KRG SAH 10.2041
67 1NSA BEN 10.5442
68 3TD3 GLY 10.5691
69 5X62 SAH 11.0599
70 1GPM CIT 11.2381
71 1VBO MAN MAN MAN 11.4094
72 3T7S SAM 11.5207
73 4M00 SUC 11.5207
74 4II2 ATP 11.6564
75 3P2E SAH 12
76 2VDV SAM 12.1951
77 5YF1 SFG 12.4424
78 5HWK BEZ 12.5
79 4G05 JZ3 12.6183
80 1NME 159 13.0435
81 5F8F SFG 13.6054
82 5WP4 SAH 15.3061
83 3BXO SAM 15.4812
84 5BXV MGP 15.9091
85 5JE0 SAH 16.1943
86 5JE0 AZ8 16.1943
87 1TPY SAH 17.77
88 3F81 STT 18.0328
89 1MFI FHC 19.2982
90 2E1A MSE 20
91 2I6U CP 21.1982
92 4KXQ APR 26.6667
Pocket No.: 5; Query (leader) PDB : 1KQF; Ligand: MGD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1kqf.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1KQF; Ligand: MGD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1kqf.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback