Structure of PDB 2xvl Chain A Binding Site BS01 |
| >2xvl Chain A (length=944) Species: 155077 (Cellvibrio japonicus)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
ALAQVERTAEGVVLTLPEGTVKKLRLQVMGERIIRVTALPGTDFGIVPES
IQVVAKPATNVPFSVDQAGEKLVLKTSQVSAEVSLLDGTVSFRDAKGNVL
LQEENRGTFSPVIHDPDPVDADSYALRQEFNRGSDEGFFGLGQHQNGQVN
YAGENVELTTYNLVISIPFLVSSRNYGLLWDNNSITRFGDPREAQPLNQS
LKLYDAEGKEGGLTVRYFVGDELKLTRVEADFNHQFYKQGNELENPFPEE
VAGAYKNNTLRIELEGSIEAQATGKHQFKMYNSGYAQLSLDGEVVLDRWR
MNWNPWYHNFYRELNAGDKHKLKVSWKPDGGFFHLRHLDPLPANEQHELS
LASETGKAIDYYFVAGDTKDDIISGYRQLTGKSVMLPKWAYGFWQSRERY
KSSDEIIQNLKEYRDRKIPIDNIVLDWSYWPEDAWGSHDFDKQFFPDPKA
LVDKVHAMNAQIMISVWPKFYPTTDNYKELNAKGFMFNRNLDEKNLDWIG
KGYLNAFYDPFSPEATAIFWKQIRDKINVHGFDAWWLDAVEPDIHSNLTF
EKRKWLMTPNARGNGAEIFNAYAVPHAEGVYQGELATDGDKRSFILTRSG
FGGIQRTGSAIWSGDIVSRWSDMKDQIAAGIGTNLAGVTNWTFDIGGFTP
EDRFRHGKKGFVGSWTALDAEQVDEWQELNTRWYQFGAFVPLYRSHGQNP
YREIFNIADEGTEVYNAMVWYTKLRYYLMPYIYTLGGDTYHKDGTIMRGL
VMDFPNDRKAWDINTQYMFGPAFLVNPVYEYKARSRDVYLPAGSDWYNFY
TGEKLAGGQTITADAPLARVPLFVKAGAIVPTGPLIQHVDEGLNSPLLIT
VYTGANGSFDIYEDDGRSLKYQQGEWSRIPLSYDDVTGTLIIGDRVGSFT
GMADERNIRVRFIAGPTADATNFDKAAAEAVTYTGKSVSIKRPR |
|
|
| Ligand ID | PXN |
| InChI | InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m1/s1 |
| InChIKey | GXEZGLLPFFKHGE-FPCVCCKLSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O | | CACTVS 3.370 | C[C@@H](O)COC[C@](COC[C@H](C)O)(COC[C@@H](C)O)COC[C@@H](C)O | | OpenEye OEToolkits 1.7.0 | CC(COCC(COCC(C)O)(COCC(C)O)COCC(C)O)O | | ACDLabs 12.01 | O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C | | CACTVS 3.370 | C[CH](O)COC[C](COC[CH](C)O)(COC[CH](C)O)COC[CH](C)O |
|
| Formula | C17 H36 O8 |
| Name | (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol;
PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH) |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 2xvl Chain A Residue 2001
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
