Structure of PDB 3k4m Chain B Binding Site BS02

Receptor Information
>3k4m Chain B (length=577) Species: 230624 (Trametes ochracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDIKYDVVIVGSGPIGCTYARELVGAGYKVAMFDIGEIDSGLKIGAHKKN
TVEYQKNIDKFVNVIQGQLMSVSVPVNTLVVDTLSPTSWQASTFFVRNGS
NPEQDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDADADD
AEWDRLYTKAESYFQTGTDQFKESIRHNLVLNKLTEEYKGQRDFQQIPLA
ATRRSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALN
SEIESLHIHDLISGDRFEIKADVYVLTAGAVHNTQLLVNSGFGQLGRPNP
ANPPELLPSLGSYITEQSLVFCQTVMSTELIDSVKSDMTIRGTPGELTYS
VTYTPGASTNKHPDWWNEKVKNHMMQHQEDPLPIPFEDPEPQVTTLFQPS
HPWHTQIHRDAFSWGAVQQSIDSRLIVDWRFFGRTEPKEENKLWFSDKIT
DAYNMPQPTFDFRFPAGRTSKEAEDMMTDMCVMSAKIGGFLPGSLPQFME
PGLVLHLGGTHRMGFDEKEDNCCVNTDSRVFGFKNLFLGGCGNIPTAYGA
NPTLTAMSLAIKSCEYIKQNFTPSPFT
Ligand information
Ligand IDSHG
InChIInChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKeyZCXUVYAZINUVJD-QZABAPFNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)F)O)O)O
CACTVS 3.385OC[C@H]1O[C@@H](O)[C@H](F)[C@@H](O)[C@@H]1O
CACTVS 3.385OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O
ACDLabs 12.01FC1C(O)C(O)C(OC1O)CO
FormulaC6 H11 F O5
Name2-deoxy-2-fluoro-beta-D-glucopyranose;
2-deoxy-2-fluoro-beta-D-glucose;
2-deoxy-2-fluoro-D-glucose;
2-deoxy-2-fluoro-glucose
ChEMBLCHEMBL1235932
DrugBank
ZINCZINC000004329335
PDB chain3k4m Chain B Residue 901 [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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PDB3k4m Importance of the gating segment in the substrate-recognition loop of pyranose 2-oxidase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		T169 Q448 D452 R472 V546 H548 N593
Binding residue
(residue number reindexed from 1)		T127 Q406 D410 R430 V504 H506 N551
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:3k4m, PDBe:3k4m, PDBj:3k4m
PDBsum3k4m
PubMed20528921
UniProtQ7ZA32

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