Structure of PDB 5zjn Chain A Binding Site BS01

Receptor Information
>5zjn Chain A (length=220) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEELKRFLNGQTVVSIQPVTGSPLDKTDFIVAMAIAVEQAGAKALRIEGV
SNVAAVSAAVTIPIIGIVKRDLPDSPVRITPFVSDVDGLANAGATVIAFD
ATNRTRPESRERIAQAIKNTGCFAMADCSTFEDGLWANSQGVEIVGSTLS
GYVPTVPDFQLVKAFSEAGFFTMAEGRYNTPELAAKAIESGAVAVTVGSA
LTRLEVVTQWFNNATQAAGE
Ligand information
Ligand IDLRY
InChIInChI=1S/C8H16NO9P/c1-4(11)9-5(2-10)7(13)8(14)6(12)3-18-19(15,16)17/h2,5-8,12-14H,3H2,1H3,(H,9,11)(H2,15,16,17)/t5-,6-,7-,8-/m1/s1
InChIKeyQDSLHWJDSQGPEE-WCTZXXKLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
CACTVS 3.385CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.7.6CC(=O)N[C@H](C=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
ACDLabs 12.01O=P(OCC(O)C(O)C(O)C(C=O)NC(=O)C)(O)O
OpenEye OEToolkits 1.7.6CC(=O)NC(C=O)C(C(C(COP(=O)(O)O)O)O)O
FormulaC8 H16 N O9 P
NameN-acetylmannosamine-6-phosphate
ChEMBL
DrugBank
ZINCZINC000034997269
PDB chain5zjn Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zjn Crystal structures and kinetic analyses of N-acetylmannosamine-6-phosphate 2-epimerases from Fusobacterium nucleatum and Vibrio cholerae
Resolution2.66 Å
Binding residue
(original residue number in PDB)		Q24 R53 K76 T155 Y159 E186 R188 V208 G209 S210 R214
Binding residue
(residue number reindexed from 1)		Q17 R46 K69 T148 Y152 E175 R177 V197 G198 S199 R203
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.9: N-acylglucosamine-6-phosphate 2-epimerase.
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0016853 isomerase activity
GO:0016857 racemase and epimerase activity, acting on carbohydrates and derivatives
GO:0047465 N-acylglucosamine-6-phosphate 2-epimerase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006051 N-acetylmannosamine metabolic process
GO:0006053 N-acetylmannosamine catabolic process
GO:0008150 biological_process
GO:0019262 N-acetylneuraminate catabolic process
Cellular Component
GO:0005575 cellular_component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5zjn, PDBe:5zjn, PDBj:5zjn
PDBsum5zjn
PubMed29969107
UniProtQ9KR62|NANE_VIBCH Putative N-acetylmannosamine-6-phosphate 2-epimerase (Gene Name=nanE)

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