Structure of PDB 2poc Chain C Binding Site BS01

Receptor Information
>2poc Chain C (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 IDBG6
InChIInChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
InChIKeyNBSCHQHZLSJFNQ-VFUOTHLCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O
CACTVS 3.341O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
FormulaC6 H13 O9 P
Name6-O-phosphono-beta-D-glucopyranose;
BETA-D-GLUCOSE-6-PHOSPHATE;
6-O-phosphono-beta-D-glucose;
6-O-phosphono-D-glucose;
6-O-phosphono-glucose
ChEMBLCHEMBL257975
DrugBankDB04122
ZINCZINC000003875374
PDB chain2poc Chain C Residue 713 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2poc The Crystal and Solution Studies of Glucosamine-6-phosphate Synthase from Candida albicans
Resolution1.8 Å
Binding residue
(original residue number in PDB)
C403 T405 S406 S450 Q451 S452 T455 E591
Binding residue
(residue number reindexed from 1)
C55 T57 S58 S102 Q103 S104 T107 E243
Annotation score3
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

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Molecular Function

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Biological Process
External links
PDB RCSB:2poc, PDBe:2poc, PDBj:2poc
PDBsum2poc
PubMed17681543
UniProtP53704|GFA1_CANAL Glutamine--fructose-6-phosphate aminotransferase [isomerizing] (Gene Name=GFA1)

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