Structure of PDB 7qfd Chain A Binding Site BS01

Receptor Information
>7qfd Chain A (length=458) Species: 861266 (Pseudarthrobacter siccitolerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RYPAAVDVAIVGSGPTASAYARILSEEAPGATIAMFEVGPTVSNPPGAHV
KNIEDPDSRSLAQRASEGPGAGERRARPGTYLLQDGYAFPGEDGMPVAAM
SSNVGGMAAHWTAACPRPGGKERIPFLPDLEELLNDADRLLGVTTHAFDG
APFSDLVRERLAAVVDQGRTPAFRVQPMPLAVHLVWSGSDVVMGEATRDN
PQFELFDESLVTRVLVEDGTAAGVEVQDRRSGDTYQVAARYVVVGADALR
TPQLLWASGIRPDALGRYLNDQAQVVFASRLRDVSEQSGVAWVPYTDEAP
FHGQIMQLGSIVGLGLFCAKDLQREDRVAFDDDTRDSYGLPAMRIHYRLT
ERDHVVLDRARQEIVRLGKAVGEPLDERPFVLPPGASLHYQGTTRMGETD
DGESVCSPDSQVWQVPGLFVAGNGVIPTATACNPTLTSVALAVRGARKIA
EEITSSLL
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 chain7qfd Chain A Residue 1201 [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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PDB7qfd Crystal structure of a bacterial pyranose 2-oxidase complex with D-glucose
Resolution2.35 Å
Binding residue
(original residue number in PDB)		V15 G18 P19 T20 F40 E41 V42 S118 G123 M124 W128 T129 A131 L233 V234 A269 R273 L439 H440 N484 T486
Binding residue
(residue number reindexed from 1)		V11 G14 P15 T16 F36 E37 V38 S101 G106 M107 W111 T112 A114 L210 V211 A246 R250 L388 H389 N433 T435
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:7qfd, PDBe:7qfd, PDBj:7qfd
PDBsum7qfd
PubMed37963862
UniProtA0A024H8G7

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