Structure of PDB 7xhl Chain E Binding Site BS01

Receptor Information
>7xhl Chain E (length=476) Species: 542 (Zymomonas mobilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STMILFGSTGDLSQRMLLPALYGLDADGLLADDLRIVCTSRSDGFRDFAE
KALDRFVASDRLNDDAKAKFLNKLFYATVDITDPTQFGKIADLCGPVEKG
IAIYLATSSSLFEGAIAGLKQAGLAGPTSRLALEKPLGQDLASSDHINDA
VLKVFSEKQVYRIDHYLGKETVQNLLTLRFGNALFEPLWNSKGIDHVQIS
VAETVGLEGRIGYFDSSGSLRDMVQSHILQLVALVAMEPPAHMEANAVRD
EKVKVFRALRPINNDTVITHTVTGQYGAGVSGGKEVAGYIDELGQPSDTE
TFVAIKAHVDNWRWHGVPFYIRTGKRLPARRSEIVVQFKPVPHSIFSSSG
GILQPNKLRIVLQPDETIQISIMVKEPGLDGAHMREVWLDLSLTDVFKDR
KRRIAHERLLLDLIEGDATLFVRRDEVEAQWIWIDGIREGWKANSMKPKT
YVSGTWGPITAIALVERDGVTWYDLE
Ligand information
Ligand IDNMN
InChIInChI=1S/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1/t7-,8-,9-,11-/m1/s1
InChIKeyDAYLJWODMCOQEW-TURQNECASA-O
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N
CACTVS 3.341NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N
ACDLabs 10.04O=C(c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O)O)N
FormulaC11 H16 N2 O8 P
NameBETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE;
NICOTINAMIDE MONONUCLEOTIDE
ChEMBL
DrugBank
ZINCZINC000004228273
PDB chain7xhl Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xhl Coenzyme Engineering of Glucose-6-phosphate Dehydrogenase on a Nicotinamide-Based Biomimic and Its Application as a Glucose Biosensor
Resolution3.25 Å
Binding residue
(original residue number in PDB)		L17 R46 A115 S117 E143 K144 P145
Binding residue
(residue number reindexed from 1)		L12 R41 A106 S108 E134 K135 P136
Annotation score2
Enzymatic activity
Enzyme Commision number 1.1.1.49: glucose-6-phosphate dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0004345 glucose-6-phosphate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0050661 NADP binding
Biological Process
GO:0006006 glucose metabolic process
GO:0006098 pentose-phosphate shunt
GO:0009051 pentose-phosphate shunt, oxidative branch
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:7xhl, PDBe:7xhl, PDBj:7xhl
PDBsum7xhl
PubMed
UniProtP21907|G6PD_ZYMMO Glucose-6-phosphate 1-dehydrogenase (Gene Name=zwf)

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