Structure of PDB 1e6y Chain A Binding Site BS02 |
| >1e6y Chain A (length=568) Species: 2208 (Methanosarcina barkeri)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
AADIFSKFKKDMEVKFAQEFGSNKQTGGDITDKTAKFLRLGPEQDPRKVE
MIKAGKEIAEKRGIAFYNPMMHSGAPLGQRAITPYTISGTDIVCEPDDLH
YVNNAAMQQMWDDIRRTCIVGLDMAHETLEKRLGKEVTPETINHYLEVLN
HAMPGAAVVQEMMVETHPALVDDCYVKVFTGDDALADEIDKQFLIDINKE
FSEEQAAQIKASIGKTSWQAIHIPTIVSRTTDGAQTSRWAAMQIGMSFIS
AYAMCAGEAAVADLSFAAKHAALVSMGEMLPARRARGPNEPGGLSFGHLS
DIVQTSRVSEDPAKIALEVVGAGCMLYDQIWLGSYMSGGVGFTQYATAAY
TDDILDNNTYYDVDYINDKYNGAATVGKDNKVKASLEVVKDIATESTLYG
IETYEKFPTALEDHFGGSQRATVLAAAAGVACSLATGNANAGLSGWYLSM
YLHKEAWGRLGFFGFDLQDQCGATNVLSYQGDEGLPDELRGPNYPNYAMN
VGHQGGYAGIAQAAHSGRGDAFTVNPLLKVCFADDLLPFNFAEPRREFGR
GAIREFVPAGERSLVIPA |
|
|
| Ligand ID | TP7 |
| InChI | InChI=1S/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)/t8-,10+/m1/s1 |
| InChIKey | JBJSVEVEEGOEBZ-SCZZXKLOSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C[C@H]([C@@H](C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O | | OpenEye OEToolkits 1.7.6 | CC(C(C(=O)O)NC(=O)CCCCCCS)OP(=O)(O)O | | CACTVS 3.385 | C[C@@H](O[P](O)(O)=O)[C@H](NC(=O)CCCCCCS)C(O)=O | | CACTVS 3.385 | C[CH](O[P](O)(O)=O)[CH](NC(=O)CCCCCCS)C(O)=O |
|
| Formula | C11 H22 N O7 P S |
| Name | Coenzyme B;
7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000003869535
|
| PDB chain | 1e6y Chain A Residue 2571
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Catalytic site (original residue number in PDB) |
Y1346 G1465 N1501 |
| Catalytic site (residue number reindexed from 1) |
Y345 G464 N500 |
| Enzyme Commision number |
2.8.4.1: coenzyme-B sulfoethylthiotransferase. |
|
|
|
|
|
