Structure of PDB 5zjp Chain B Binding Site BS01

Receptor Information
>5zjp Chain B (length=230) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNFLNIEELKRFLNGQTVVSIQPVTGSPLDKTDFIVAMAIAVEQAGAKAL
RIEGVSNVAAVSAAVTIPIIGIVKRDLPDSPVRITPFVSDVDGLANAGAT
VIAFDATNRTRPESRERIAQAIKNTGCFAMADCSTFEDGLWANSQGVEIV
GSTLSGYVGDIEPTVPDFQLVKAFSEAGFFTMAEGRYNTPELAAKAIESG
AVAVTVGSALTRLEVVTQWFNNATQAAGER
Ligand information
Ligand IDRFW
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)/p-2/t5-,6+,7+,8+/m0/s1
InChIKeyQDSLHWJDSQGPEE-LXGUWJNJSA-L
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)N[CH](C=O)[CH](O)[CH](O)[CH](O)CO[P]([O-])([O-])=O
ACDLabs 12.01[O-]P([O-])(=O)OCC(O)C(O)C(O)C(C=O)NC(=O)C
OpenEye OEToolkits 1.7.6CC(=O)NC(C=O)C(C(C(COP(=O)([O-])[O-])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
CACTVS 3.385CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[P]([O-])([O-])=O
FormulaC8 H14 N O9 P
NameN-acetyl-D-glucosamine-6-phosphate
ChEMBL
DrugBank
ZINC
PDB chain5zjp Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zjp 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)		K76 Y159 E186 R188 G209 S210 R214
Binding residue
(residue number reindexed from 1)		K74 Y157 E184 R186 G207 S208 R212
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:5zjp, PDBe:5zjp, PDBj:5zjp
PDBsum5zjp
PubMed29969107
UniProtQ9KR62|NANE_VIBCH Putative N-acetylmannosamine-6-phosphate 2-epimerase (Gene Name=nanE)

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