Structure of PDB 7qf8 Chain A Binding Site BS01

Receptor Information
>7qf8 Chain A (length=494) Species: 861266 (Pseudarthrobacter siccitolerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RYPAAVDVAIVGSGPTASAYARILSEEAPGATIAMFEVGPTVSNPPGAHV
KNIEDPDSRSLAQRASEGPGAGAATVNSPGAVKSGERRARPGTYLLQDGY
AFPGEDGMPVAAMSSNVGGMAAHWTAACPRPGGKERIPFLPDLEELLNDA
DRLLGVTTHAFDGAPFSDLVRERLAAVVDQGRTPAFRVQPMPLAVHRGAL
VWSGSDVVMGEATRDNPQFELFDESLVTRVLVEDGTAAGVEVQDRRSGDT
YQVAARYVVVGADALRTPQLLWASGIRPDALGRYLNDQAQVVFASRLRDV
QALSEQSGVAWVPYTDEAPFHGQIMQLDASPVPLADDDPIVPGSIVGLGL
FCAKDLQREDRVAFDDDTRDSYGLPAMRIHYRLTERDHVVLDRARQEIVR
LGKAVGEPLDERPFVLPPGASLHYQGTTRMGETDDGESVCSPDSQVWQVP
GLFVAGNGVIPTATACNPTLTSVALAVRGARKIAEEITSSLLMS
Ligand information
Ligand IDFAD
InChIInChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
InChIKeyVWWQXMAJTJZDQX-UYBVJOGSSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1C
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O
OpenEye OEToolkits 1.5.0Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
CACTVS 3.341Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)c2cc1C
ACDLabs 10.04O=C2C3=Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C
FormulaC27 H33 N9 O15 P2
NameFLAVIN-ADENINE DINUCLEOTIDE
ChEMBLCHEMBL1232653
DrugBankDB03147
ZINCZINC000008215434
PDB chain7qf8 Chain A Residue 904 [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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PDB7qf8 Crystal structure of a bacterial pyranose 2-oxidase from Pseudoarthrobacter siccitolerans
Resolution2.009 Å
Binding residue
(original residue number in PDB)		V15 G16 G18 P19 T20 E41 V42 S118 G123 M124 W128 T129 A131 V234 G268 A269 D270 R273 P348 L439 H440 N484 T486
Binding residue
(residue number reindexed from 1)		V11 G12 G14 P15 T16 E37 V38 S114 G119 M120 W124 T125 A127 V227 G261 A262 D263 R266 P331 L422 H423 N467 T469
Annotation score4
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:7qf8, PDBe:7qf8, PDBj:7qf8
PDBsum7qf8
PubMed37963862
UniProtA0A024H8G7

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