Structure of PDB 7qva Chain A Binding Site BS02

Receptor Information
>7qva Chain A (length=457) Species: 861266 (Pseudarthrobacter siccitolerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RYPAAVDVAIVGSGPTASAYARILSEEAPGATIAMFEVGPTVSNPPGAHV
KNIEDPDSRSLAQRASEGPRRARPGTYLLQDGYAFPGEDGMPVAAMSSNV
GGMAAHWTAACPRPGGKERIPFLPDLEELLNDADRLLGVTTHAFDGAPFS
DLVRERLAAVVDQGRTPAFRVQPMPLAVHLVWSGSDVVMGEATRDNPQFE
LFDESLVTRVLVEDGTAAGVEVQDRRSGDTYQVAARYVVVGADALRTPQL
LWASGIRPDALGRYLNDQAQVVFASRLRDVQGVAWVPYTDEAPFHGQIMQ
LDASPVPGSIVGLGLFCAKDLQREDRVAFDDDTRDSYGLPAMRIHYRLTE
RDHVVLDRARQEIVRLGKAVGEPLDERPFVLPPGASLHYQGTTRMGETDD
GESVCSPDSQVWQVPGLFVAGNGVIPTATACNPTLTSVALAVRGARKIAE
EITSSLL
Ligand information
Ligand IDHZI
InChIInChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1
InChIKeyAEDDIBAIWPIIBD-ZJKJAXBQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c2c(cc(c1O)O)Oc3cc(c(c(c3C2=O)O)C4C(C(C(C(O4)CO)O)O)O)O
CACTVS 3.385OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc3Oc4cc(O)c(O)cc4C(=O)c3c2O
OpenEye OEToolkits 2.0.7c1c2c(cc(c1O)O)Oc3cc(c(c(c3C2=O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
CACTVS 3.385OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc3Oc4cc(O)c(O)cc4C(=O)c3c2O
FormulaC19 H18 O11
NameMangiferin;
2-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1,3,6,7-tetrakis(oxidanyl)xanthen-9-one
ChEMBLCHEMBL464825
DrugBank
ZINCZINC000004098535
PDB chain7qva Chain A Residue 1202 [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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PDB7qva Crystal structure of a bacterial pyranose 2-oxidase in complex with mangiferin
Resolution2.6 Å
Binding residue
(original residue number in PDB)		K55 R94 T129 M342 A437 S438 H440
Binding residue
(residue number reindexed from 1)		K51 R73 T108 M299 A385 S386 H388
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0050660 flavin adenine dinucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:7qva, PDBe:7qva, PDBj:7qva
PDBsum7qva
PubMed37963862
UniProtA0A024H8G7

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