Receptor
PDB id Resolution Class Description Source Keywords
1H0H 1.8 Å EC: 7.-.-.- TUNGSTEN CONTAINING FORMATE DEHYDROGENASE FROM DESULFOVIBRIO DESULFOVIBRIO GIGAS ELECTRON TRANSPORT TUNGSTEN SELENIUM FORMATE DEHYDROGENASESELENOCYSTEINE MOLYBDOPTERIN MGD IRON-SULPHUR CLUSTER PERIPLASMIC
Ref.: GENE SEQUENCE AND THE 1.8 A CRYSTAL STRUCTURE OF TH TUNGSTEN-CONTAINING FORMATE DEHYDROGENASE FROM DESU GIGAS STRUCTURE V. 10 1261 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2MD A:1001;
K:1001;
Valid;
Valid;
none;
none;
submit data
742.573 C20 H28 N10 O13 P2 S2 c1nc2...
CA A:1100;
K:1100;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
EPE A:1200;
K:1200;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
MGD A:1002;
K:1002;
Valid;
Valid;
none;
none;
submit data
740.557 C20 H26 N10 O13 P2 S2 c1nc2...
SF4 A:1010;
B:1011;
B:1012;
B:1013;
K:1010;
L:1011;
L:1012;
L:1013;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
351.64 Fe4 S4 [S]12...
UNX A:1003;
K:1003;
Invalid;
Invalid;
none;
none;
submit data n/a n/a X n/a
W A:1000;
K:1000;
Part of Protein;
Part of Protein;
none;
none;
submit data
183.84 W [W+6]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H0H 1.8 Å EC: 7.-.-.- TUNGSTEN CONTAINING FORMATE DEHYDROGENASE FROM DESULFOVIBRIO DESULFOVIBRIO GIGAS ELECTRON TRANSPORT TUNGSTEN SELENIUM FORMATE DEHYDROGENASESELENOCYSTEINE MOLYBDOPTERIN MGD IRON-SULPHUR CLUSTER PERIPLASMIC
Ref.: GENE SEQUENCE AND THE 1.8 A CRYSTAL STRUCTURE OF TH TUNGSTEN-CONTAINING FORMATE DEHYDROGENASE FROM DESU GIGAS STRUCTURE V. 10 1261 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 1H0H - 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 217 families.
1 1H0H - 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 181 families.
1 1H0H - MGD C20 H26 N10 O13 P2 S2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2MD; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 2MD 1 1
2 MGD 0.694215 1
3 G1R 0.654206 0.880952
4 GP3 0.653846 0.892857
5 GSP 0.633027 0.894118
6 GDP 0.632075 0.891566
7 GTP 0.62963 0.891566
8 GNH 0.626168 0.880952
9 GCP 0.609091 0.870588
10 G2R 0.605263 0.860465
11 GNP 0.603604 0.870588
12 Y9Z 0.59322 0.813187
13 GMV 0.585586 0.870588
14 G 0.584906 0.879518
15 5GP 0.584906 0.879518
16 GFB 0.575 0.882353
17 GDR 0.575 0.882353
18 MD1 0.571429 0.97619
19 PGD O 0.57037 0.954023
20 G3A 0.570248 0.892857
21 GDD 0.566667 0.882353
22 GDC 0.566667 0.882353
23 GKE 0.566667 0.882353
24 G5P 0.565574 0.892857
25 GAV 0.565217 0.904762
26 GTG 0.561983 0.862069
27 GPG 0.559322 0.882353
28 GP2 0.558559 0.860465
29 6CK 0.557377 0.862069
30 GDP MG 0.548673 0.827586
31 JB2 0.548387 0.882353
32 GKD 0.548387 0.882353
33 G2P 0.547826 0.860465
34 JB3 0.546875 0.872093
35 GDX 0.544 0.892857
36 GPD 0.544 0.852273
37 GDP BEF 0.54386 0.808989
38 NGD 0.542636 0.882353
39 PGD 0.536765 0.963855
40 YGP 0.532787 0.895349
41 ALF 5GP 0.530435 0.8
42 GTP MG 0.529915 0.827586
43 BEF GDP 0.529915 0.8
44 GDP AF3 0.529412 0.8
45 GCP G 0.525424 0.837209
46 GDP ALF 0.516667 0.8
47 G G 0.516393 0.858824
48 ZGP 0.515152 0.844444
49 G3D 0.508475 0.879518
50 U2G 0.507576 0.905882
51 CAG 0.507353 0.815217
52 FEG 0.496241 0.813187
53 0O2 0.495935 0.879518
54 G4P 0.487603 0.879518
55 TPG 0.485915 0.879121
56 GMP 0.481132 0.785714
57 GDP 7MG 0.48062 0.83908
58 CG2 0.477941 0.905882
59 DBG 0.475524 0.872093
60 G4M 0.473333 0.815217
61 3GP 0.469027 0.845238
62 G1R G1R 0.465278 0.850575
63 FE9 0.464789 0.852632
64 I2C FE2 CMO CMO 0.450704 0.827957
65 G A A A 0.45 0.848837
66 U A G G 0.446809 0.858824
67 G G U 0.443609 0.858824
68 GH3 0.443548 0.869048
69 GPX 0.436508 0.845238
70 2GP 0.431034 0.857143
71 G1G 0.427586 0.852273
72 DGT 0.427419 0.827586
73 DGI 0.418033 0.827586
74 IDP 0.413223 0.86747
75 P2G 0.411765 0.790698
76 BGO 0.411348 0.850575
77 G C 0.402778 0.872093
78 GGM 0.402778 0.831461
79 U G A 0.402516 0.862069
80 MGP 0.4 0.860465
81 G2Q 0.4 0.860465
Ligand no: 2; Ligand: MGD; Similar ligands found: 78
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 GNP 0.587719 0.870588
14 GMV 0.584071 0.870588
15 Y9Z 0.578512 0.813187
16 G 0.568807 0.879518
17 5GP 0.568807 0.879518
18 GFB 0.560976 0.882353
19 GDR 0.560976 0.882353
20 G3A 0.556452 0.892857
21 GKE 0.552846 0.882353
22 GDC 0.552846 0.882353
23 GDD 0.552846 0.882353
24 G5P 0.552 0.892857
25 GAV 0.550847 0.904762
26 GTG 0.548387 0.862069
27 GKD 0.547619 0.882353
28 MD1 0.547445 0.97619
29 6CK 0.544 0.862069
30 GP2 0.54386 0.860465
31 NGD 0.541985 0.882353
32 MTE 0.541284 0.855422
33 JB2 0.535433 0.882353
34 GDP MG 0.534483 0.827586
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 GDP BEF 0.529915 0.808989
41 BEF GDP 0.529412 0.8
42 GCP G 0.525 0.837209
43 JB3 0.522727 0.872093
44 FEG 0.518797 0.813187
45 ALF 5GP 0.516949 0.8
46 GTP MG 0.516667 0.827586
47 ZGP 0.514925 0.844444
48 CAG 0.507246 0.815217
49 GDP ALF 0.504065 0.8
50 GDP AF3 0.504065 0.8
51 PTE 0.503937 0.827586
52 U2G 0.496296 0.905882
53 G3D 0.495868 0.879518
54 G G 0.492063 0.858824
55 0O2 0.484127 0.879518
56 CG2 0.478261 0.905882
57 TPG 0.475862 0.879121
58 G4P 0.475806 0.879518
59 GDP 7MG 0.469697 0.83908
60 GMP 0.46789 0.785714
61 DBG 0.465753 0.872093
62 3GP 0.456897 0.845238
63 FE9 0.455172 0.852632
64 G1R G1R 0.445946 0.850575
65 G1G 0.438356 0.852273
66 G4M 0.435897 0.815217
67 G G U 0.433824 0.858824
68 GH3 0.433071 0.869048
69 I2C FE2 CMO CMO 0.431507 0.827957
70 G A A A 0.430556 0.848837
71 U A G G 0.427586 0.858824
72 DGT 0.417323 0.827586
73 GPX 0.415385 0.845238
74 2GP 0.408333 0.857143
75 DGI 0.408 0.827586
76 IDP 0.403226 0.86747
77 BGO 0.402778 0.850575
78 P2G 0.401639 0.790698
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H0H; Ligand: MGD; Similar sites found: 29
This union binding pocket(no: 1) in the query (biounit: 1h0h.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EOO CIT 0.04573 0.40019 3.01887
2 2VDV SAM 0.01586 0.4162 4.06504
3 1Y8Q ATP 0.01052 0.40031 4.6729
4 3LST SAH 0.02223 0.40892 5.17241
5 1XDS SAM 0.0171 0.41458 5.34759
6 4NEC SAH 0.0268 0.40167 6.07477
7 1DMR PGD 0.000002214 0.54011 6.07533
8 1KPG SAH 0.0108 0.40519 6.54206
9 2MSB NAG BMA MAN MAN MAN MAN MAN 0.02078 0.41724 8.69565
10 1G8K MGD 0.0000000002089 0.49363 10.7879
11 1G55 SAH 0.01787 0.40104 11.6618
12 1TMO 2MD 0.000009666 0.48513 11.8215
13 2FK8 SAM 0.002719 0.43471 12.1495
14 1EU1 MGD 0.0000008059 0.5233 12.5641
15 2E7Z MGD 0.0000009413 0.51647 15.8184
16 5BXV MGP 0.04885 0.41036 15.9091
17 2E1A MSE 0.03435 0.40992 20
18 2IVF MGD 0.0000001115 0.55544 20.5607
19 2IVF MD1 0.001282 0.40448 20.5607
20 4YDD MGD 0.000000009903 0.63489 23.8318
21 4YDD MD1 0.000000009903 0.63489 23.8318
22 1R27 MGD 0.00069 0.41834 24.7664
23 2V3V MGD 0.000000000002983 0.77153 32.3651
24 1LOB MMA 0.04161 0.40545 32.6923
25 2IV2 MGD 0.000000000007849 0.69812 36.3636
26 2IV2 2MD 0.0002409 0.41943 36.3636
27 2VPY MGD 0.0000001474 0.58221 38.4615
28 3ML1 MGD 0.00000000002328 0.7356 40.6484
29 2NYA MGD 0.0001386 0.43053 40.6566
Pocket No.: 2; Query (leader) PDB : 1H0H; Ligand: 2MD; Similar sites found: 25
This union binding pocket(no: 2) in the query (biounit: 1h0h.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MBI HSX 0.01938 0.41775 3.27103
2 1SZO CAX 0.04542 0.40158 3.89105
3 4UYG 73B 0.02905 0.41276 4.4586
4 3RGQ 5P5 0.02843 0.41471 4.48718
5 4IEE AGS 0.01259 0.42753 4.6729
6 3LST SAH 0.01794 0.40807 5.17241
7 2J5V RGP 0.04664 0.40501 5.44959
8 3BF1 PAU 0.02101 0.40823 5.62249
9 1DMR PGD 0.00002357 0.51781 6.07533
10 3F81 STT 0.02168 0.40866 8.74317
11 1G8K MGD 0.0000002006 0.41021 10.7879
12 2RC8 DSN 0.006786 0.44579 11.6822
13 1EU1 MGD 0.0009016 0.42821 12.5641
14 3PNA CMP 0.033 0.4056 20.1299
15 2IVF MD1 0.000008087 0.50169 20.5607
16 2IVF MGD 0.001578 0.42006 20.5607
17 4YDD MGD 0.00006483 0.50277 23.8318
18 4YDD MD1 0.00006483 0.50277 23.8318
19 1R27 MGD 0.000004966 0.51291 24.7664
20 2V3V MGD 0.0000001934 0.60786 32.3651
21 2IV2 2MD 0.000002594 0.51495 36.3636
22 2IV2 MGD 0.0006902 0.43142 36.3636
23 2VPY MGD 0.000001628 0.56283 38.4615
24 3ML1 MGD 0.00000003215 0.63925 40.6484
25 2NYA MGD 0.0000000009174 0.58171 40.6566
Pocket No.: 3; Query (leader) PDB : 1H0H; Ligand: MGD; Similar sites found: 2
This union binding pocket(no: 3) in the query (biounit: 1h0h.bio2) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3E3U NVC 0.03069 0.40194 8.12183
2 5KAX RHQ 0.04452 0.40766 18.6747
Pocket No.: 4; Query (leader) PDB : 1H0H; Ligand: 2MD; Similar sites found: 1
This union binding pocket(no: 4) in the query (biounit: 1h0h.bio2) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1JI0 ATP 0.04942 0.40113 2.91667
Feedback