Structure of PDB 2zj4 Chain A Binding Site BS01

Receptor Information
>2zj4 Chain A (length=365) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKGNFSSFMQKEIFEQPESVVNTMRGRVNFDDYTVNLGGLKDHIKEIQRC
RRLILIACGTSYHAGVATRQVLEELTELPVMVELASDFLDRNTPVFRDDV
CFFLSQSGETADTLMGLRYCKERGALTVGITNTVGSSISRETDCGVHINA
GPEIGVASTKAYTSQFVSLVMFALMMCDDRISMQERRKEIMLGLKRLPDL
IKEVLSMDDEIQKLATELYHQKSVLIMGRGYHYATCLEGALKIKEITYMH
SEGILAGELKHGPLALVDKLMPVIMIIMRDHTYAKCQNALQQVVARQGRP
VVICDKEDTETIKNTKRTIKVPHSVDCLQGILSVIPLQLLAFHLAVLRGY
DVDFPRNLAKSVTVE
Ligand information
Ligand IDAGP
InChIInChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
InChIKeyLBNVXZROMBUNNQ-SLPGGIOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)O
CACTVS 3.341N[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(C(COP(=O)(O)O)O)O)O)N)O
CACTVS 3.341N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)C(N)CO
FormulaC6 H16 N O8 P
Name2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE
ChEMBLCHEMBL396380
DrugBankDB02445
ZINCZINC000003870803
PDB chain2zj4 Chain A Residue 1 [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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PDB2zj4 Structural analysis of human glutamine:fructose-6-phosphate amidotransferase, a key regulator in type 2 diabetes
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T375 S376 S420 Q421 S422 T425 V471 A472 K557 E560
Binding residue
(residue number reindexed from 1)		T60 S61 S105 Q106 S107 T110 V156 A157 K242 E245
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E553 K557 E560 H576 K675
Catalytic site (residue number reindexed from 1) E238 K242 E245 H261 K360
Enzyme Commision number 2.6.1.16: glutamine--fructose-6-phosphate transaminase (isomerizing).
Gene Ontology
Molecular Function
GO:0097367 carbohydrate derivative binding
Biological Process
GO:1901135 carbohydrate derivative metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2zj4, PDBe:2zj4, PDBj:2zj4
PDBsum2zj4
PubMed19059404
UniProtQ06210|GFPT1_HUMAN Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 (Gene Name=GFPT1)

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