PDB ligand accession: F43
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: XLFIRMYGVLUNOY-SXMZNAGASA-M
SMILES: CC12CC(=O)NC13CC4C(C(C5=[N]4[Ni+]67[N]3=C(C2CCC(=O)O)C=C8N6C(=C9C(=O)CCC1C9=[N]7C(C5)C1CC(=O)O)C(C8CC(=O)O)CCC(=O)O)(C)CC(=O)N)CCC(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Tetrapyrroles and derivatives
- Subclass: None
- Class: Tetrapyrroles and derivatives
- Superclass: Organoheterocyclic compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 5G0R | Download | Experimental | e5g0rA2 e5g0rD1 e5g0rE1 e5g0rF1 e5g0rA1 e5g0rA2 e5g0rD2 e5g0rB1 e5g0rC1 | Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits | LigPlot |
| 1HBM | Download | Experimental | e1hbmA1 e1hbmB1 e1hbmC1 e1hbmD2 e1hbmA2 e1hbmD1 e1hbmE1 e1hbmF1 e1hbmA2 | Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 3M1V | Download | Experimental | e3m1vA2 e3m1vD1 e3m1vE1 e3m1vF1 e3m1vA1 e3m1vA2 e3m1vD2 e3m1vB1 e3m1vC1 | Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits | LigPlot |
| 1HBN | Download | Experimental | e1hbnA1 e1hbnB1 e1hbnC1 e1hbnA2 e1hbnD2 e1hbnA2 e1hbnD1 e1hbnE1 e1hbnF1 | Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits | LigPlot |
| 3M2U | Download | Experimental | e3m2uA2 e3m2uD1 e3m2uE1 e3m2uF1 e3m2uA1 e3m2uA2 e3m2uD2 e3m2uB1 e3m2uC1 | Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits | LigPlot |
| 1HBO | Download | Experimental | e1hboA1 e1hboB1 e1hboC1 e1hboD2 e1hboA2 e1hboD1 e1hboE1 e1hboF1 e1hboA2 | Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 1MRO | Download | Experimental | e1mroD1 e1mroE1 e1mroF1 e1mroA2 e1mroA1 e1mroB1 e1mroC1 e1mroD2 e1mroA2 | Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 7SUC | Download | Experimental | e7sucA1 e7sucA2 e7suca1 e7sucb2 e7succ1 e7sucA1 e7sucA2 e7sucB1 e7sucC1 e7suca2 | Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 1HBU | Download | Experimental | e1hbuA1 e1hbuB1 e1hbuC1 e1hbuA2 e1hbuD2 e1hbuD1 e1hbuE1 e1hbuF1 e1hbuA2 | Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 3M30 | Download | Experimental | e3m30A2 e3m30D1 e3m30E1 e3m30F1 e3m30A1 e3m30A2 e3m30D2 e3m30B1 e3m30C1 | Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits | LigPlot |
| 3M2V | Download | Experimental | e3m2vA2 e3m2vD1 e3m2vE1 e3m2vF1 e3m2vA1 e3m2vA2 e3m2vD2 e3m2vB1 e3m2vC1 | Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits | LigPlot |
| 7B2H | Download | Experimental | e7b2hA1 e7b2hA2 e7b2hB1 e7b2hC1 e7b2hD2 e7b2hA2 e7b2hD1 e7b2hE1 e7b2hF1 | Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits | LigPlot |
| 3POT | Download | Experimental | e3potA2 e3potD1 e3potE1 e3potF1 e3potA1 e3potA2 e3potB1 e3potC1 e3potD2 | Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 5A0Y | Download | Experimental | e5a0yA2 e5a0yD2 e5a0yE2 e5a0yF1 e5a0yA1 e5a0yA2 e5a0yD1 e5a0yB1 e5a0yC1 | Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits | LigPlot |
| 7SXM | Download | Experimental | e7sxmA1 e7sxmA2 e7sxmD2 e7sxmB1 e7sxmC1 | Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits | LigPlot |
| 3M32 | Download | Experimental | e3m32A2 e3m32D1 e3m32E1 e3m32F1 e3m32A1 e3m32A2 e3m32D2 e3m32B1 e3m32C1 | Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits | LigPlot |
| 3M2R | Download | Experimental | e3m2rA2 e3m2rD1 e3m2rE1 e3m2rF1 e3m2rA1 e3m2rA2 e3m2rD2 e3m2rB1 e3m2rC1 | Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits Alpha-beta plaits Methyl-coenzyme M reductase alpha and beta chain-C Alpha-beta plaits | LigPlot |