Structure of PDB 3afl Chain A Binding Site BS03 |
| >3afl Chain A (length=766) Species: 176299 (Agrobacterium fabrum str. C58)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
QTLLDEPRPGSLTIGYEPSEEAQPTENPPRFSWLPDIDDGARYVLRISTD
PGFTDKKTLVFEDLAWNFFTPDEALPDGHYHWCYALWDQKSATAHSNWST
VRSFEISEALPKTPLPGRSARHAAAQTSHPRLWLNSEQLSAFADAVAKDP
NHCGWAEFYEKSVEPWLERPVMPEPQPYPNNTRVATLWRQMYIDCQEVIY
AIRHLAIAGRVLGRDDLLDASRKWLLAVAAWDTKGATSRAYNDEAGFRVV
VALAWGYDWLYDHLSEDERRTVRSVLLERTREVADHVIAHARIHVFPYDS
HAVRSLSAVLTPACIALQGESDEAGEWLDYTVEFLATLYSPWAGTDGGWA
EGPHYWMTGMAYLIEAANLIRSYIGYDLYQRPFFQNTGRFPLYTKAPGTR
RANFGDDSTLGDLPGLKLGYNVRQFAGVTGNGHYQWYFDHIKADATGTEM
AFYNYGWWDLNFDDLVYRHDYPQVEAVSPADLPALAVFDDIGWATIQKDM
EDPDRHLQFVFKSSPYGSLSASHGDQNAFVLYAHGEDLAIQSGYYVAFNS
QMHLNWRRQTRSKNAVLIGGKGQYAEKDKALARRAAGRIVSVEEQPGHVR
IVGDATAAYQVANPLVQKVLRETHFVNDSYFVIVDEVECSEPQELQWLCH
TLGAPQTGRSSFRYNGRKAGFYGQFVYSSGGTPQISAVEGFPDIDPKEFE
GLDIHHHVCATVPAATRHRLVTLLVPYSLKEPKRIFSFIDDQGFSTDIYF
SDVDDERFKLSLPKQF |
|
|
| Ligand ID | MAW |
| InChI | InChI=1S/C6H8O6/c7-2-1-3(5(9)10)12-6(11)4(2)8/h1-2,4,6-8,11H,(H,9,10)/t2-,4-,6+/m0/s1 |
| InChIKey | IAKKJSVSFCTLRY-NVFHJIOMSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C1=C(OC(C(C1O)O)O)C(=O)O | | OpenEye OEToolkits 2.0.7 | C1=C(O[C@H]([C@H]([C@H]1O)O)O)C(=O)O | | CACTVS 3.385 | O[CH]1OC(=C[CH](O)[CH]1O)C(O)=O | | ACDLabs 12.01 | OC1C(O)C(O)C=C(O1)C(=O)O | | CACTVS 3.385 | O[C@@H]1OC(=C[C@H](O)[C@@H]1O)C(O)=O |
|
| Formula | C6 H8 O6 |
| Name | 4-deoxy-alpha-L-erythro-hex-4-enopyranuronic acid;
4-deoxy-alpha-L-erythro-hex-4-enuronic acid;
4-deoxy-L-erythro-hex-4-enuronic acid;
4-deoxy-erythro-hex-4-enuronic acid |
| ChEMBL | |
| DrugBank | DB02734 |
| ZINC |
|
| PDB chain | 3afl Chain B Residue 3
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
