Structure of PDB 4moq Chain A Binding Site BS03

Receptor Information
>4moq Chain A (length=569) Species: 230624 (Trametes ochracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYDVVIVGSGPIGCTYARELVGAGYKVAMFDIGEIDSGLKIGAHKKNTVE
YQKNIDKFVNVIQGQLMSVSVPVNTLVVDTLSPTSWQASTFFVRNGSNPE
QDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDADADDAEW
DRLYTKAESYFQTGTDQFKESIRHNLVLNKLTEEYKGQRDFQQIPLAATR
RSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALNSEI
ESLHIHDLISGDRFEIKADVYVLTAGAVHNTQLLVNSGFGQLGRPNPANP
PELLPSLGSYITEQSLVFCQTVMSTELIDSVKSDMTIRGTPGELTYSVTY
TPGASTNKHPDWWNEKVKNHMMQHQEDPLPIPFEDPEPQVTTLFQPSHPW
HTQIHRDAFSYQSIDSRLIVDWRFFGRTEPKEENKLWFSDKITDAYNMPQ
PTFDFRFPAGRTSKEAEDMMTDMCVMSAKIGGFLPGSLPQFMEPGLCLHL
GGTHRMGFDEKEDNCCVNTDSRVFGFKNLFLGGCGNIPTAYGANPTLTAM
SLAIKSCEYIKQNFTPSPF
Ligand information
Ligand ID2FG
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C1C(C(C(C(O1)O)F)O)O)O
CACTVS 3.352OC[C@H]1O[C@@H](O)[C@H](F)[C@@H](O)[C@H]1O
CACTVS 3.352OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O)O
ACDLabs 11.02FC1C(O)C(O)C(OC1O)CO
FormulaC6 H11 F O5
Name2-deoxy-2-fluoro-beta-D-galactopyranose;
2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSE;
2-deoxy-2-fluoro-beta-D-galactose;
2-deoxy-2-fluoro-D-galactose;
2-deoxy-2-fluoro-galactose
ChEMBL
DrugBankDB02228
ZINCZINC000004329329
PDB chain4moq Chain A Residue 803 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4moq Structural Basis for Binding of Fluorinated Glucose and Galactose to Trametes multicolor Pyranose 2-Oxidase Variants with Improved Galactose Conversion.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		G398 A399 H404 P405
Binding residue
(residue number reindexed from 1)		G353 A354 H359 P360
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:4moq, PDBe:4moq, PDBj:4moq
PDBsum4moq
PubMed24466218
UniProtQ7ZA32

[Back to BioLiP]