Structure of PDB 4moe Chain D Binding Site BS02

Receptor Information
>4moe Chain D (length=575) Species: 230624 (Trametes ochracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKYDVVIVGSGPIGCTYARELVGAGYKVAMFDIGEIDSGLKIGAHKKNTV
EYQKNIDKFVNVIQGQLMSVSVPVNTLVVDTLSPTSWQASTFFVRNGSNP
EQDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDADADDAE
WDRLYTKAESYFQTGTDQFKESIRHNLVLNKLTEEYKGQRDFQQIPLAAT
RRSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALNSE
IESLHIHDLISGDRFEIKADVYVLTAGAVHNTQLLVNSGFGQLGRPNPAN
PPELLPSLGSYITEQSLVFCQTVMSTELIDSVKSDMTIRGTPGELTYSVT
YTPGASTNKHPDWWNEKVKNHMMQHQEDPLPIPFEDPEPQVTTLFQPSHP
WHTQIGRDAFSYGAVQQSIDSRLIVDWRFFGRTEPKEENKLWFSDKITDA
YNMPQPTFDFRFPAGRTSKEAEDMMTDMCVMSAKIGGFLPGSLPQFMEPG
LVLHLGGTHRMGFDEKEDNCCVNTDSRVFGFKNLFLGGCGNIPTAYGANP
TLTAMSLAIKSCEYIKQNFTPSPFT
Ligand information
Ligand IDG3F
InChIInChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1
InChIKeyBUMRBAMACDBPKO-AIECOIEWSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01FC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](F)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)O)O)F)O)O
FormulaC6 H11 F O5
Name3-deoxy-3-fluoro-beta-D-glucopyranose;
3-deoxy-3-fluoro-beta-D-glucose;
3-deoxy-3-fluoro-D-glucose;
3-deoxy-3-fluoro-glucose
ChEMBL
DrugBank
ZINCZINC000003956760
PDB chain4moe Chain D Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4moe Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T169 Q448 D452 F454 Y456 V546 H548 N593
Binding residue
(residue number reindexed from 1)		T125 Q404 D408 F410 Y412 V502 H504 N549
Annotation score3
Enzymatic activity
Enzyme Commision number 1.1.3.10: pyranose oxidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0050233 pyranose oxidase activity
GO:0050660 flavin adenine dinucleotide binding
Cellular Component
GO:0042597 periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4moe, PDBe:4moe, PDBj:4moe
PDBsum4moe
PubMed24466218
UniProtQ7ZA32

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