Structure of PDB 2puv Chain B Binding Site BS02

Receptor Information
>2puv Chain B (length=352) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PYKHFMQKEIFEQPDSAFNTMRGRIDFENCVVTLGGLKSWLSTIRRCRRI
IMIACGTSYHSCLATRSIFEELTEIPVSVELASDFLDRRSPVFRDDTCVF
VSQSGETADSILALQYCLERGALTVGIVNSVGSSMSRQTHCGVHINAGPE
IGVASTKAYTSQYIALVMFALSLSNDSISRKGRHEEIIKGLQKIPEQIKQ
VLKLENKIKDLCNSSLNDQKSLLLLGRGYQFATALEGALKIKEISYMHSE
GVLAGELKHGILALVDEDLPIIAFATRDSLFPKVMSAIEQVTARDGRPIV
ICNEGDAIISNDKVHTTLEVPETVDCLQGLLNVIPLQLISYWLAVNRGID
VD
Ligand information
Ligand IDM6R
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-/m1/s1
InChIKeyLBNVXZROMBUNNQ-KVTDHHQDSA-N
SMILES
SoftwareSMILES
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@H]([C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)N)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
Name5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-MANNITOL
ChEMBL
DrugBank
ZINCZINC000003870804
PDB chain2puv Chain B Residue 5004 [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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PDB2puv The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C403 T405 S406 S450 Q451 S452 T455 A502 S503 E591
Binding residue
(residue number reindexed from 1)		C55 T57 S58 S102 Q103 S104 T107 A154 S155 E243
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E584 K588 E591 H607
Catalytic site (residue number reindexed from 1) E236 K240 E243 H259
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:2puv, PDBe:2puv, PDBj:2puv
PDBsum2puv
PubMed17681543
UniProtP53704|GFA1_CANAL Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Gene Name=GFA1)

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