Receptor
PDB id Resolution Class Description Source Keywords
3C8F 2.25 Å EC: 1.97.1.4 4FE-4S-PYRUVATE FORMATE-LYASE ACTIVATING ENZYME WITH PARTIAL DISORDERED ADOMET ESCHERICHIA COLI ADOMET RADICAL SAM RADICAL ACTIVASE GLYCYL RADICAL CARBOMETABOLISM GLUCOSE METABOLISM IRON IRON-SULFUR METAL-BIOXIDOREDUCTASE S-ADENOSYL-L-METHIONINE
Ref.: STRUCTURAL BASIS FOR GLYCYL RADICAL FORMATION BY PY FORMATE-LYASE ACTIVATING ENZYME. PROC.NATL.ACAD.SCI.USA V. 105 16137 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MT2 A:501;
Valid;
none;
submit data
178.272 C7 H16 N O2 S CC[S@...
PGE A:502;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
SF4 A:500;
Part of Protein;
none;
submit data
351.64 Fe4 S4 [S]12...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3C8F 2.25 Å EC: 1.97.1.4 4FE-4S-PYRUVATE FORMATE-LYASE ACTIVATING ENZYME WITH PARTIAL DISORDERED ADOMET ESCHERICHIA COLI ADOMET RADICAL SAM RADICAL ACTIVASE GLYCYL RADICAL CARBOMETABOLISM GLUCOSE METABOLISM IRON IRON-SULFUR METAL-BIOXIDOREDUCTASE S-ADENOSYL-L-METHIONINE
Ref.: STRUCTURAL BASIS FOR GLYCYL RADICAL FORMATION BY PY FORMATE-LYASE ACTIVATING ENZYME. PROC.NATL.ACAD.SCI.USA V. 105 16137 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3C8F - MT2 C7 H16 N O2 S CC[S@@+](C....
70% 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 3C8F - MT2 C7 H16 N O2 S CC[S@@+](C....
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 3C8F - MT2 C7 H16 N O2 S CC[S@@+](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MT2; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MT2 1 1
2 NVA 0.484848 0.657143
3 NLE 0.432432 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3C8F; Ligand: MT2; Similar sites found: 104
This union binding pocket(no: 1) in the query (biounit: 3c8f.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UTW RFW 0.009452 0.40799 1.31004
2 4UTU LRY 0.009097 0.4064 1.31004
3 1GTE FMN 0.02208 0.43417 2.04082
4 3OTI C0T 0.01692 0.42513 2.04082
5 3C56 PH4 0.00801 0.4225 2.04082
6 4ZNO SUC 0.01053 0.41121 2.04082
7 4USR FAD 0.02894 0.40662 2.04082
8 1IYK MYA 0.03427 0.40214 2.04082
9 3CIF G3H 0.0345 0.4009 2.04082
10 2Y88 2ER 0.01631 0.41857 2.04918
11 5T9C G3P 0.001733 0.44002 2.44898
12 3CQD ATP 0.0237 0.42062 2.44898
13 2YAB AMP 0.02571 0.40742 2.44898
14 1AE1 NAP 0.01221 0.43833 2.85714
15 3QCJ NX4 0.01166 0.42023 2.85714
16 4I4B NAD 0.04876 0.40947 2.85714
17 3ICR FAD 0.03519 0.40854 2.85714
18 1K3A ACP 0.01361 0.4055 2.85714
19 2BD0 NAP 0.02148 0.40183 2.86885
20 3AKK ADP 0.004429 0.43585 3.26531
21 1EOM NAG MAN MAN MAN NAG GAL NAG GAL 0.005214 0.4155 3.26531
22 4R33 TRP 0.0264 0.41001 3.26531
23 4R33 SAH 0.0264 0.41001 3.26531
24 1XG4 ICT 0.01574 0.40888 3.26531
25 4E93 GUI 0.03651 0.40242 3.26531
26 1M5W DXP 0.001083 0.48713 3.29218
27 4L9Z COA 0.005817 0.44786 3.67347
28 1UXG NAD 0.01235 0.43354 3.67347
29 3PFG SAM 0.03562 0.42982 3.67347
30 3PFG TLO 0.03562 0.42982 3.67347
31 2ZAT NAP 0.02897 0.41456 3.67347
32 3AY6 NAI 0.01876 0.41336 3.67347
33 4JNA FAD 0.04493 0.40789 3.67347
34 3AY6 BGC 0.03553 0.40557 3.67347
35 5TO8 7FM 0.03223 0.40331 3.67347
36 4Q4K FMN 0.002489 0.47288 4.08163
37 4FHD 0TT 0.00418 0.45842 4.08163
38 4FHD EEM 0.00418 0.45842 4.08163
39 3TII ANP 0.002594 0.43109 4.08163
40 4BV6 FAD 0.0361 0.41337 4.08163
41 3VPD ANP 0.02223 0.40316 4.08163
42 2NLI FMN 0.01975 0.40178 4.08163
43 2NLI LAC 0.02078 0.40178 4.08163
44 3AYI HCI 0.03183 0.41781 4.4898
45 3AYI FAD 0.03105 0.41781 4.4898
46 5LRT ADP 0.01521 0.41175 4.4898
47 2BMB PMM 0.007806 0.41112 4.4898
48 2GPT TLA 0.007159 0.40693 4.4898
49 1RE8 BD2 0.04223 0.40047 4.4898
50 2DTX BMA 0.02451 0.41863 4.54545
51 2F57 23D 0.003362 0.44577 4.89796
52 4XV1 904 0.009297 0.43909 4.89796
53 2WQP WQP 0.008647 0.43105 4.89796
54 1GS5 NLG 0.01262 0.42666 4.89796
55 1RSG FAD 0.03133 0.42154 4.89796
56 3W8X FTK 0.02549 0.40211 5.12821
57 4UWJ 7L5 0.03402 0.4152 5.30612
58 4UWJ MYA 0.03402 0.4152 5.30612
59 5L4S 6KX 0.02744 0.40861 5.30612
60 5L4S NAP 0.02744 0.40861 5.30612
61 5X2Z 3LM 0.008889 0.42959 5.71429
62 2VVL FAD 0.0121 0.43298 6.12245
63 1B57 PGH 0.004837 0.42604 6.12245
64 2VVM FAD 0.01787 0.42295 6.12245
65 1G72 PQQ 0.007422 0.41942 6.12245
66 3OID NDP 0.0228 0.40712 6.53061
67 2Q3O FMN 0.03814 0.40176 6.53061
68 1TDF FAD 0.02552 0.42926 6.93878
69 2CDC XYP 0.0343 0.42685 6.93878
70 2CDC XYS 0.04807 0.42472 6.93878
71 2CDC NAP 0.04807 0.42472 6.93878
72 3B0P FMN 0.01366 0.41444 6.93878
73 1KKR 2AS 0.01186 0.40374 6.93878
74 2Y7G AAE 0.00147 0.45666 7.34694
75 4A2B AGS 0.008434 0.42911 7.34694
76 4NTC FAD 0.01597 0.42843 7.34694
77 1VB3 KPA 0.004695 0.42524 7.34694
78 1LBF 137 0.01399 0.42058 7.34694
79 3B1J NAD 0.02614 0.41248 7.34694
80 2D2I NAP 0.02923 0.40758 7.34694
81 4A2A ATP 0.02043 0.4029 7.34694
82 4MAE PQQ 0.0002618 0.51347 7.7551
83 5JCM FAD 0.02288 0.43736 7.76053
84 5JCM ISD 0.02337 0.43736 7.76053
85 5JCM NAD 0.02337 0.43736 7.76053
86 1EDO NAP 0.01665 0.43248 7.78689
87 2D0V PQQ 0.003308 0.44462 8.33333
88 1YY5 FAD 0.02967 0.42597 8.97959
89 5GXU FMN 0.02391 0.40433 9.38776
90 2PYW ADP 0.02334 0.40596 9.79592
91 5VSM 5AD 0.000005102 0.41219 11.4286
92 5VSM MET 0.000005102 0.41219 11.4286
93 4GUT FAD 0.04494 0.41401 15.102
94 1DQS NAD 0.03869 0.41003 19.1837
95 4J56 FAD 0.04798 0.41477 19.5918
96 3RFA SAM 0.005134 0.43491 22.449
97 5WGG SAM 0.00001942 0.41661 23.6735
98 4G4S LDZ 0.02558 0.40308 24.4898
99 2FB3 GTP 0.0003048 0.50832 24.898
100 2FB3 5AD 0.0001121 0.50832 24.898
101 2FB3 MET 0.0004657 0.48527 24.898
102 5TH5 MET 0.0003852 0.42268 31.8367
103 4K38 SAM 0.00002168 0.56134 33.4694
104 4K39 SAM 0.0003054 0.49746 33.4694
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