Structure of PDB 1h4j Chain A Binding Site BS01

Receptor Information
>1h4j Chain A (length=595) 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
EWEYAGVNVMMLSEQKDKDGKARKLLTHPDRNGIVYTLDRTDGALVSANK
LDDTVNVFKSVDLKTGQPVRDPEYGTRMDHLAKDICPSAMGYHNQGHDSY
DPKRELFFMGINHICMDWEPFMLPYRAGQFFVGATLNMYPGPKGDRQNYE
GLGQIKAYNAITGDYKWEKMERFAVWGGTMATAGDLVFYGTLDGYLKARD
SDTGDLLWKFKIPSGAIGYPMTYTHKGTQYVAIYYGVGGWPGVGLVFDLA
DPTAGLGAVGAFKKLANYTQMGGGVVVFSLDGKGPYDDPNVGEWK
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 chain1h4j Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h4j Site-Directed Mutagenesis and X-Ray Crystallography of the Pqq-Containing Quinoprotein Methanol Dehydrogenase and its Electron Acceptor, Cytochrome C(L)(,)
Resolution3.0 Å
Binding residue
(original residue number in PDB)		E55 C103 C104 R109 T159 S174 A176 E177 T241 W243 E303 R331 N394 W476 W540
Binding residue
(residue number reindexed from 1)		E55 C103 C104 R109 T159 S174 A176 E177 T241 W243 E303 R331 N394 W476 W540
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E177 N261 E303
Catalytic site (residue number reindexed from 1) E177 N261 E303
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1h4j, PDBe:1h4j, PDBj:1h4j
PDBsum1h4j
PubMed11502173
UniProtP16027|DHM1_METEA Methanol dehydrogenase [cytochrome c] subunit 1 (Gene Name=moxF)

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