Structure of PDB 4mig Chain D Binding Site BS02

Receptor Information
>4mig Chain D (length=570) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PYDVFIAGSGPIGATFAKLCVDANLRVCMVEIGAADSFTSKPMKQFGPGQ
VPIPGYHKKNEIEYQKDIDRFVNVIKGALSTCSIPTSNNHIATLDPSVVS
NSLDKPFISLGKNPAQNPFVNLGAEAVTRGVGGMSTHWTCATPEFFAPAD
FNAPHRERPKLSTDAAEDARIWKDLYAQAKEIIGTSTTEFDHSIRHNLVL
RKYNDIFQKENVIREFSPLPLACHRLTDPDYVEWHATDRILEELFTDPVK
RGRFTLLTNHRCTKLVFKHYRPGEENEVDYALVEDLLPSVKKIYARSYVV
ACGAVATAQVLANSHIPPERDATIPTPLMPMLGKYITEQPMTFCQVVLDS
SLMEVVRNPPWPGLDWWKEKVARHVEAFPNDPIPIPFRDPEPQVTIKFTE
EHPWHVQIHRDAFSYGAVAENMDTRVIVDYRFFGYTEPQEANELVFQQHY
RDAYDMPQPTFKFTMSQDDRARARRMMDDMCNIALKIGGYLPGSEPQFMT
PGLALHLAGTTRCGLDTQKTVGNTHCKVHNFNNLYVGGNGVIETGFAANP
TLTSICYAIRASNDIIAKFG
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 chain4mig Chain D Residue 802 [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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PDB4mig Crystal structures of Phanerochaete chrysosporium pyranose 2-oxidase suggest that the N-terminus acts as a propeptide that assists in homotetramer assembly.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T160 Q454 D458 Y462 A551 H553 N596
Binding residue
(residue number reindexed from 1)		T139 Q407 D411 Y415 A504 H506 N549
Annotation score3
Enzymatic activity
Enzyme Commision number 1.1.3.10: pyranose oxidase.
Gene Ontology
Molecular Function
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:4mig, PDBe:4mig, PDBj:4mig
PDBsum4mig
PubMed24282677
UniProtQ6QWR1|P2OX_PHACH Pyranose 2-oxidase (Gene Name=p2ox)

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