Structure of PDB 6fkw Chain D Binding Site BS02

Receptor Information
>6fkw Chain D (length=576) Species: 1156937 (Methylacidiphilum fumariolicum SolV) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDELIKLEKEPGQWVMQNKNYANTRYSELNQINTKNVSRLRLAWSFSTGA
LRGHEGGPLVVGTTMYVHSAYPNHVYALDLTQKPYAIKWQYTPVQNSQAV
AVACCDVVNRGLAYANGKIFMTTLDGQIIALDANTGKELWKMKHADVTKG
ETITGAPLVVKDKVLVGVSGGEFGVRGRVGAYDINTGNRVWLAYSQGPDE
EVLLDSDFNKEFPQHGGPGDGTKTWPGEQWKLGGGTTWGWYSYDPALDLF
YYGTSNPGTWNAEQRKGGDNKWSCTIFARRPDTGKARWAYQMTPWDSWDY
DGVNEMILPDLTVKGKKTPCLVHFDRNGFGYVLDRRTGQLIEAQPFVYVN
WAKEISKENDRPVEIPEKRTKQGVDTKGICPNSMGGKDQQPAAFSPQTGL
FYVPTNNMCMNYEGVEATYTAGAPYVGANVLMYSGHEGKDDYYGAFICYD
ALKGKRVWEIHEHFPVWSGPVVTAGGLAFYGTMDGWFKAVDIKTGKVLWQ
QKLGSGIIGNPITFLGPDKKQYVAVYSGVGGWFGIAVAQNLPPDDPYAGL
GAVGVAYQAGLPKATTVGGELYVFAL
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 chain6fkw Chain D Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fkw Similar but not the same: First Kinetic and Structural Analyses of a Methanol Dehydrogenase Containing a Europium Ion in the Active Site.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		E55 C104 C105 R110 T154 S169 G170 G171 E172 T236 W238 D301 R326 D388 W467 G531 W532
Binding residue
(residue number reindexed from 1)		E55 C104 C105 R110 T154 S169 G170 G171 E172 T236 W238 D301 R326 D388 W467 G531 W532
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E172 N256 D299
Catalytic site (residue number reindexed from 1) E172 N256 D299
Enzyme Commision number 1.1.2.7: methanol dehydrogenase (cytochrome c).
1.1.2.8: alcohol 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
GO:0052934 alcohol dehydrogenase (cytochrome c) activity
Biological Process
GO:0015945 methanol metabolic process
Cellular Component
GO:0016020 membrane
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6fkw, PDBe:6fkw, PDBj:6fkw
PDBsum6fkw
PubMed29524328
UniProtI0JWN7

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