Structure of PDB 8vba Chain A Binding Site BS12

Receptor Information
>8vba Chain A (length=1038) Species: 316401 (Escherichia coli ETEC H10407) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANLPTGGQIVAGSGSIQTPSGNQMNIHQNSQNMVANWNSFDIGKGNTVQF
DQPSSSAVALNRVVGGGESQIMGNLKANGQVFLVNPNGVLFGEGASVSTS
GFVASTRDIKNDDFMNRRYTFSGGQKAGAAIVNQGELTTNAGGYIVLAAD
RVSNSGTIRTPGGKTVLAASERITLQLDNGGLMSVQVTGDVVNALVENRG
LVSARDGQVYLTALGRGMLMNTVLNVSGVVEASGMHRQDGNIVLDGGDSG
VVHLSGTLQADNASGQGGKVVVQGKNILLDKGSNITATGGQGGGEVYVGG
GWQGKDSNIRNADKVVMQGGARIDVSATQQGNGGTAVLWSDSYTNFHGQI
GAKGGETGGNGGRVETSSHGNLQAFGTVSASAKKGKAGNWLLDSADITIV
NGSNVSKTETTQSPPHTQFAPTAAGSAVSNTSINNRLNNGTSVTILTHRT
RTGTAQGGNITVNAAINKGNGSDVNLTLQAGGNITVNNSITSTEGKLNVN
LSGARTSNGSITISNNANITTNGGDITVGTTNTSNRVNISINNTTLNASN
GNIQLTGTGTDSGILFAGNNRLTASNIALTGNSTSGNAINLTGTATLNAT
NNITLTGSSTSGNAINLKGNNTLTASNITLTGESTSGNAINHTDTTGTTT
LNATNNITMQGTRVQIKHSNITAGNFALNATVAGSEISNTTLTATNNINL
AAKTNSASSGVYLKDARITSTNGSITANGTATANGKATHLDGNVTLNASN
GRIKLTGNGHGSASGILFAGNNRLTASNIALTGNSTSGNAINLTGTATLN
ATNDITLTGSSTSGNAINLTGTATLNATNNITLTGSSTSGNAINLKGNNT
LTASNITLTGESTSGNAINLTDTTGTTTLNATNNITMQGTRVQIKHSNIT
AGNFALNATVAGSEISNTTLTATNNINLAAKTNSASSGVYLKDARITSTN
GSITANGTATANGKATHLDGNVTLNASNGRIKLTGNGHGSASGILFAGNN
RLTASNIALTGNSTSGNAINLTGTATLNATNDITLTGS
Ligand information
Ligand IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain8vba Chain A Residue 1615 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8vba Structure and Antigenicity of the Secreted Glycoprotein Adhesin EtpA of Enterotoxigenic Escherichia coli
Resolution3.29 Å
Binding residue
(original residue number in PDB)		K732 S753 N754 K779
Binding residue
(residue number reindexed from 1)		K667 S688 N689 K714
Annotation score4
External links