Structure of PDB 1w6s Chain C Binding Site BS01

Receptor Information
>1w6s Chain C (length=596) Species: 408 (Methylorubrum extorquens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDKLVELSKSDDNWVMPGKNYDSNNFSDLKQINKGNVKQLRPAWTFSTGL
LNGHEGAPLVVDGKMYIHTSFPNNTFALGLDDPGTILWQDKPKQNPAARA
VACCDLVNRGLAYWPGDGKTPALILKTQLDGNVAALNAETGETVWKVENS
DIKVGSTLTIAPYVVKDKVIIGSSGAELGVRGYLTAYDVKTGEQVWRAYA
TGPDKDLLLASDFNIKNPHYGQKGLGTGTWEGDAWKIGGGTNWGWYAYDP
GTNLIYFGTGNPAPWNETMRPGDNKWTMTIFGRDADTGEAKFGYQKTPHD
EWDYAGVNVMMLSEQKDKDGKARKLLTHPDRNGIVYTLDRTDGALVSANK
LDDTVNVFKSVDLKTGQPVRDPEYGTRMDHLAKDICPSAMGYHNQGHDSY
DPKRELFFMGINHICMDWEPFMLPYKAGQFFVGATLNMYPGPKGDRQNYE
GLGQIKAYNAITGDYKWEKMERFAVWGGTMATAGDLVFYGTLDGYLKARD
SDTGDLLWKFKIPSGAIGYPMTYTHKGTQYVAIYYGVGGWPGVGLVFDLA
DPTAGLGAVGAFKKLANYTQMGGGVVVFSLDGKGPYDDPNVGEWKS
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 chain1w6s Chain C Residue 3597 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1w6s The Atomic Resolution Structure of Methanol Dehydrogenase from Methylobacterium Extorquens
Resolution1.2 Å
Binding residue
(original residue number in PDB)		E2055 C2103 C2104 R2109 T2159 S2174 A2176 E2177 T2241 W2243 R2331 N2394 W2476 W2540
Binding residue
(residue number reindexed from 1)		E55 C103 C104 R109 T159 S174 A176 E177 T241 W243 R331 N394 W476 W540
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E2177 N2261 D2303
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:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0046872 metal ion binding
GO:0052933 alcohol dehydrogenase (cytochrome c(L)) activity
Biological Process
GO:0015945 methanol metabolic process
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030288 outer membrane-bounded periplasmic space

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1w6s, PDBe:1w6s, PDBj:1w6s
PDBsum1w6s
PubMed15608378
UniProtP16027|DHM1_METEA Methanol dehydrogenase [cytochrome c] subunit 1 (Gene Name=moxF)

[Back to BioLiP]