Structure of PDB 6z7p Chain A Binding Site BS01

Receptor Information
>6z7p Chain A (length=1025) Species: 190650 (Caulobacter vibrioides CB15) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AYTTAQLVTAYTNANLGKAPDAATTLTLDAYATQTQTGGLSDAAALTNTL
KLVNSTTAVAIQTYQFFTGVAPSAAGLDFLVDSTTNTNDLNDAYYSKFAQ
ENRFINFSINLATGAGAGATAFAAAYTGVSYAQTVATAYDKIIGNAVATA
AGVDVAAAVAFLSRQANIDYLTAFVRANTPFTAAADIDLAVKAALIGTIL
NAATVSGIGGYATATAAMINDLSDGALSTDNAAGVNLFTAYPSSGVSGST
LSLTTGTDTLTGTANNDTFVAGEVAGAATLTVGDTLSGGAGTDVLNWVQA
AAVTALPTGVTISGIETMNVTSGAAITLNTSSGVTGLTALNTNTSGAAQT
VTAGAGQNLTATTAAQAANNVAVDGGANVTVASTGVTSGTTTVGANSAAS
GTVSVSVANSSTTTTGAIAVTGGTAVTVAQTAGNAVNTTLTQADVTVTGN
SSTTAVTVTQTAAATAGATVAGRVNGAVTITDSAAASATTAGKIATVTLG
SFGAATIDSSALTTVNLSGTGTSLGIGRGALTATPTANTLTLNVNGLTTT
GAITDSEAAADDGFTTINIAGSTASSTIASLVAADATTLNISGDARVTIT
SHTAAALTGITVTNSVGATLGAELATGLVFTGGAGADSILLGATTKAIVM
GAGDDTVTVSSATLGAGGSVNGGDGTDVLVANVNGSSFSADPAFGGFETL
RVAGAAAQGSHNANGFTALQLGATAGATTFTNVAVNVGLTVLAAPTGTTT
VTLANATGTSDVFNLTLSSSAALAAGTVALAGVETVNIAATDTNTTAHVD
TLTLQATSAKSIVVTGNAGLNLTNTGNTAVTSFDASAVTGTGSAVTFVSA
NTTVGEVVTIRGGAGADSLTGSATANDTIIGGAGADTLVYTGGTDTFTGG
TGADIFDINAIGTSTAFVTITDAAVGDKLDLVGISTNGAIADGAFGAAVT
LGAAATLAQYLDAAAAGDGSGTSVAKWFQFGGDTYVVVDSSAGATFVSGA
DAVIKLTGLVTLTTSAFATEVLTLA
Ligand information
Ligand IDMRH
InChIInChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8+/m1/s1
InChIKeyLMIZXKMXHCOVTQ-PCRKCNGPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1C(C(C(C(O1)O)O)O)NC(=O)C
OpenEye OEToolkits 2.0.7C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)NC(=O)C
CACTVS 3.385C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(C)=O
CACTVS 3.385C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1NC(C)=O
FormulaC8 H15 N O5
Name4-acetamido-4,6-dideoxy-alpha-D-mannopyranose;
alpha-N-Acetylperosamine;
4-acetamido-4,6-dideoxy-alpha-D-mannose;
4-acetamido-4,6-dideoxy-D-mannose;
4-acetamido-4,6-dideoxy-mannose
ChEMBL
DrugBank
ZINC
PDB chain6z7p Chain B Residue 3 [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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PDB6z7p In Situ Structure of an Intact Lipopolysaccharide-Bound Bacterial Surface Layer.
Resolution4.8 Å
Binding residue
(original residue number in PDB)		Y95 N179
Binding residue
(residue number reindexed from 1)		Y94 N178
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Cellular Component
GO:0005576 extracellular region
GO:0030115 S-layer

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6z7p, PDBe:6z7p, PDBj:6z7p
PDBsum6z7p
PubMed31883796
UniProtP35828|SLAP_CAUVC S-layer protein (Gene Name=rsaA)

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