Structure of PDB 4mih Chain A Binding Site BS02

Receptor Information
>4mih Chain A (length=576) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFLDTTPFRADEPYDVFIAGSGPIGATFAKLCVDANLRVCMVEIGAADSF
TSKPMKGQVPIPGYHKKNEIEYQKDIDRFVNVIKGALSTCSIPTSNNHIA
TLDPSVVSNSLDKPFISLGKNPAQNPFVNLGAEAVTRGVGGMSTAWTCAT
PEFFAPADFNAPHRERPKLSTDAAEDARIWKDLYAQAKEIIGTSTTEFDH
SIRHNLVLRKYNDIFQKENVIREFSPLPLACHRLTDPDYVEWHATDRILE
ELFTDPVKRGRFTLLTNHRCTKLVFKHYRPGEENEVDYALVEDLLPSVKK
IYARSYVVACGAVATAQVLANSHIPPDATIPTPLMPMLGKYITEQPMTFC
QVVLDSSLMEVVRNPPWPGLDWWKEKVARHVEAFPNDPIPIPFRDPEPQV
TIKFTEEHPWHVQIHRDAFSYGAVAENMDTRVIVDYRFFGYTEPQEANEL
VFQQHYRDAYDMPQPTFKFTMSQDDRARARRMMDDMCNIALKIGGYLPGS
EPQFMTPGLALHLAGTTRCGLDTQKTVGNTHCKVHNFNNLYVGGNGVIET
GFAANPTLTSICYAIRASNDIIAKFG
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 chain4mih Chain A Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mih Crystal structures of Phanerochaete chrysosporium pyranose 2-oxidase suggest that the N-terminus acts as a propeptide that assists in homotetramer assembly.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		Q454 D458 Y462 A551 H553 N596
Binding residue
(residue number reindexed from 1)		Q413 D417 Y421 A510 H512 N555
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:4mih, PDBe:4mih, PDBj:4mih
PDBsum4mih
PubMed24282677
UniProtQ6QWR1|P2OX_PHACH Pyranose 2-oxidase (Gene Name=p2ox)

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