Structure of PDB 4utw Chain D Binding Site BS01

Receptor Information
>4utw Chain D (length=229) Species: 195102 (Clostridium perfringens str. 13) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSSHHHHHHMLDVVKGNLIVSCQALSDEPLHSSFIMGRMAIAAKQGGAAA
IRAQGVNDINEIKEVTKLPIIGIIKRNYDDSEIYITPTMKEVDELLKTDC
EMIALDATKRKRPNGENVKDLVDAIHAKGRLAMADISTLEEGIEAEKLGF
DCVSTTLSGYTPYSKQSNSVDFELLEELVKTVKIPVICEGRINTPEELKK
ALDLGAYSAVVGGAITRPQQITKRFTDIL
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 chain4utw Chain D Residue 1222 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4utw Structural and Functional Characterization of the Clostridium Perfringens N-Acetylmannosamine-6-Phosphate 2-Epimerase Essential for the Sialic Acid Salvage Pathway
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R43 K66 Y75 T147 Y151 E180 R182 G203 G204
Binding residue
(residue number reindexed from 1)		R52 K75 Y84 T156 Y160 E189 R191 G212 G213
Annotation score1
Enzymatic activity
Enzyme Commision number 5.1.3.9: N-acylglucosamine-6-phosphate 2-epimerase.
Gene Ontology
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:0019262 N-acetylneuraminate catabolic process
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:4utw, PDBe:4utw, PDBj:4utw
PDBsum4utw
PubMed25320079
UniProtQ8XNZ3|NANE_CLOPE Putative N-acetylmannosamine-6-phosphate 2-epimerase (Gene Name=nanE)

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