Structure of PDB 2fdc Chain B Binding Site BS02

Receptor Information
>2fdc Chain B (length=585) Species: 1395 ([Bacillus] caldotenax) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEGRFQLVAPYEPQGDQPQAIAKLVDGLRRGVKHQTLLGATGTGKTFTIS
NVIAQVNKPTLVIAHNKTLAGQLYSELKEFFPHNAVEYFVSYYDYYQPEA
YVPQTDTYIEKDAKINDEIDKLRHSATSALFERRDVIIVASVSCIYGLGS
PEEYRELVVSLRVGMEIERNALLRRLVDIQYDRNDIDFRRGTFRVRGDVV
EIFPASRDEHCIRVEFFGDEIERIREVDALTGEVLGEREHVAIFPASHFV
TREEKMRLAIQNIEQELEERLAELRAQGKLLEAQRLEQRTRYDLEMMREM
GFCSGIENYSRHLALRPPGSTPYTLLDYFPDDFLIIVDESHVTLPQLRGM
YNGDRARKQVLVDHGFRLPSALDNRPLTFEEFEQKINQIIYVSATPGPYE
LEHSPGVVEQIIRPTGLLDPTIDVRPTKGQIDDLIGEIRERVERNERTLV
TTLTKKMAEDLTDYLKEAGIKVAYLHIEIIRDLRLGKYDVLVGINLLREG
LDIPEVSLVAILDADKEGFLRSERSLIQTIGRAARNANGHVIMYADTITK
SMEIAIQETKRRRAIQEEYNRKHGIVPRTVKKEIR
Ligand information
Ligand IDFLQ
InChIInChI=1S/C29H28N2O7/c1-17(32)30-12-4-2-3-5-13-31-27(35)18-6-9-21-24(14-18)29(38-28(21)36)22-10-7-19(33)15-25(22)37-26-16-20(34)8-11-23(26)29/h6-11,14-16,33-34H,2-5,12-13H2,1H3,(H,30,32)(H,31,35)
InChIKeyNYDPRVGMTFCAQC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NCCCCCCNC(=O)c1ccc2c(c1)C3(c4ccc(cc4Oc5c3ccc(c5)O)O)OC2=O
CACTVS 3.341CC(=O)NCCCCCCNC(=O)c1ccc2C(=O)OC3(c4ccc(O)cc4Oc5cc(O)ccc35)c2c1
ACDLabs 10.04O=C(NCCCCCCNC(=O)c5cc1c(C(=O)OC13c4ccc(O)cc4Oc2cc(O)ccc23)cc5)C
FormulaC29 H28 N2 O7
NameN-[6-(ACETYLAMINO)HEXYL]-3',6'-DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-1,9'-XANTHENE]-6-CARBOXAMIDE;
FLUORESCEIN ADDUCT
ChEMBL
DrugBank
ZINCZINC000058661154
PDB chain2fdc Chain C Residue 473 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fdc Structural basis for DNA recognition and processing by UvrB.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		H65 P345 Q346
Binding residue
(residue number reindexed from 1)		H65 P345 Q346
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006289 nucleotide-excision repair
Cellular Component
GO:0009380 excinuclease repair complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2fdc, PDBe:2fdc, PDBj:2fdc
PDBsum2fdc
PubMed16532007
UniProtP56981|UVRB_BACCA UvrABC system protein B (Gene Name=uvrB)

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