Structure of PDB 1lrw Chain A Binding Site BS02

Receptor Information
>1lrw Chain A (length=600) Species: 266 (Paracoccus denitrificans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDQLVELAKDPANWVMTGRDYNAQNYSEMTDINKENVKQLRPAWSFSTGV
LHGHEGTPLVVGDRMFIHTPFPNTTFALDLNEPGKILWQNKPKQNPTART
VACCDVVNRGLAYWPGDDQVKPLIFRTQLDGHIVAMDAETGETRWIMENS
DIKVGSTLTIAPYVIKDLVLVGSSGAELGVRGYVTAYDVKSGEMRWRAFA
TGPDEELLLAEDFNAPNPHYGQKNLGLETWEGDAWKIGGGTNWGWYAYDP
EVDLFYYGSGNPAPWNETMRPGDNKWTMAIWGREATTGEAKFAYQKTPHD
EWDYAGVNVMMLSEQEDKQGQMRKLLTHPDRNGIVYTLDRTNGDLISADK
MDDTVNWVKEVQLDTGLPVRDPEFGTRMDHKARDICPSAMGYHNQGHDSY
DPERKVFMLGINHICMDWEPFMLPYRAGQFFVGATLTMYPGPKGDRGNAS
GLGQIKAYDAISGEMKWEKMERFSVWGGTMATAGGLTFYATLDGFIKARD
SDTGDLLWKFKLPSGVIGHPMTYKHDGRQYVAIMYGVGGWPGVGLVFDLA
DPTAGLGSVGAFKRLQEFTQMGGGVMVFSLDGESPYSDPNVGEYAPGEPT
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 chain1lrw Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1lrw X-ray structure of methanol dehydrogenase from Paracoccus denitrificans and molecular modeling of its interactions with cytochrome c-551i
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E55 C103 C104 R109 T159 S174 G175 A176 E177 T241 W243 R331 W476 W540
Binding residue
(residue number reindexed from 1)		E55 C103 C104 R109 T159 S174 G175 A176 E177 T241 W243 R331 W476 W540
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E177 N261 D303
Catalytic site (residue number reindexed from 1) E177 N261 D303
Enzyme Commision number 1.1.2.7: methanol dehydrogenase (cytochrome c).
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
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:1lrw, PDBe:1lrw, PDBj:1lrw
PDBsum1lrw
PubMed14505072
UniProtP12293|DHM1_PARDE Methanol dehydrogenase [cytochrome c] subunit 1 (Gene Name=moxF)

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