Structure of PDB 2d0v Chain D Binding Site BS02

Receptor Information
>2d0v Chain D (length=597) Species: 53399 (Hyphomicrobium denitrificans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDKLIELSNSNENWVMPGKNYDSNNYSTSTQINVDNVKQLKHAWSFSTGE
LHGHEGAPLVIGDVMYVHSSFPNKTFALDLNDPGHILWQHSPKQDPAARS
VACCDLVNRGLAYWPGDDKTPSLIIKTQLDGHLVALNAKTGEEFWKVENG
DIKVGQTLTQAPYVVHDLAIVGSSGAELGVRGHVTAYNVRTGEQAWRYYA
TGPDAEIGLADDFNSANPHYGQKGLGTATWEGDAWKIGGGTNWGWYAYDP
AANLIYYGSGNPAPWNETMRPGDNKWTMTITARDADTGKMKFGYQKTPHD
EWDFAGVNVIMLSEQTDKTGKKRKLLTHPDRNGIVYTLDRENGDLISADK
LDDTVNVFKTVDLKTGLPVRDPEYGTRMDHKGTDICPSAMGYHNQGHDSY
DPQKQLFFMGINHICMDWEPFMLPYRAGQFFVGATLWMYPGPKGDRQNYL
GLGQIKAYNAITNEYKWQHMERFSVWGGTLATAGNLVFYGTLDGFLKARN
SDTGELVWKHKLPSGVIGYPMTYEHKGVQYIAVMSGVGGWPGVGLVFDLQ
DPTAGLGAVGAFKNLQNYTQMGGSLEVFSLDGKNPYDDVNVGEYEKG
Ligand information
Ligand IDPQQ
InChIInChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
InChIKeyMMXZSJMASHPLLR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O
CACTVS 3.341OC(=O)c1[nH]c2c(c1)C(=O)C(=O)c3nc(cc(C(O)=O)c23)C(O)=O
ACDLabs 10.04O=C(O)c1c3c(nc(C(=O)O)c1)C(=O)C(=O)c2cc(C(=O)O)nc23
FormulaC14 H6 N2 O8
NamePYRROLOQUINOLINE QUINONE
ChEMBLCHEMBL1235421
DrugBankDB03205
ZINCZINC000001532545
PDB chain2d0v Chain D Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2d0v Crystal structures of cytochrome c(L) and methanol dehydrogenase from Hyphomicrobium denitrificans: structural and mechanistic insights into interactions between the two proteins
Resolution2.49 Å
Binding residue
(original residue number in PDB)		E55 C104 R109 T159 S174 G175 A176 E177 T241 W243 R331 N394 W476 G539 W540
Binding residue
(residue number reindexed from 1)		E55 C104 R109 T159 S174 G175 A176 E177 T241 W243 R331 N394 W476 G539 W540
Annotation score4
Enzymatic activity
Enzyme Commision number 1.1.99.8: Transferred entry: 1.1.2.7 and 1.1.2.8.
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2d0v, PDBe:2d0v, PDBj:2d0v
PDBsum2d0v
PubMed16533029
UniProtQ4AE26

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