Structure of PDB 2vk2 Chain A Binding Site BS01

Receptor Information
>2vk2 Chain A (length=296) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLTVGFSQVGSESGWRAAETNVAKSEAEKRGITLKIADGQQKQENQIKAV
RSFVAQGVDAIFIAPVVATGWEPVLKEAKDAEIPVFLLDRSIDVKDKSLY
MTTVTADNILEGKLIGDWLVKEVNGKPCNVVELQGTVGASVAIDRKKGFA
EAIKNAPNIKIIRSQSGDFTRSKGKEVMESFIKAENNGKNICMVYAHNDD
MVIGAIQAIKEAGLKPGKDILTGSIDGVPDIYKAMMDGEANASVELTPNM
AGPAFDALEKYKKDGTMPEKLTLTKSTLYLPDTAKEELEKKKNMGY
Ligand information
Ligand IDGZL
InChIInChI=1S/C6H12O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-11H,1H2/t2-,3-,4-,5+,6-/m1/s1
InChIKeyAVVWPBAENSWJCB-DGPNFKTASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C1C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH](O)[CH]1O[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C(C([C@H]1C(C([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(OC(O)C1O)C(O)CO
CACTVS 3.341OC[C@@H](O)[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O
FormulaC6 H12 O6
Namebeta-D-galactofuranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBL
DrugBank
ZINC
PDB chain2vk2 Chain A Residue 1298 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2vk2 Furanose-Specific Sugar Transport: Characterization of a Bacterial Galactofuranose-Binding Protein.
Resolution1.2 Å
Binding residue
(original residue number in PDB)		E13 S14 R17 D90 R91 R146 F170 N199 D227 L247
Binding residue
(residue number reindexed from 1)		E12 S13 R16 D89 R90 R145 F169 N198 D226 L246
Annotation score4
Binding affinityMOAD: Kd=0.13uM
PDBbind-CN: -logKd/Ki=6.89,Kd=0.13uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005534 galactose binding
GO:0030246 carbohydrate binding
Biological Process
GO:0015757 galactose transmembrane transport
GO:0140271 hexose import across plasma membrane
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space
GO:0055052 ATP-binding cassette (ABC) transporter complex, substrate-binding subunit-containing

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2vk2, PDBe:2vk2, PDBj:2vk2
PDBsum2vk2
PubMed19744923
UniProtP39325|YTFQ_ECOLI Galactofuranose-binding protein YtfQ (Gene Name=ytfQ)

[Back to BioLiP]