Structure of PDB 2ad7 Chain A Binding Site BS02

Receptor Information
>2ad7 Chain A (length=571) Species: 2327 (Methylophilus methylotrophus W3A1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DADLDKQVNTAGAWPIATGGYYSQHNSPLAQINKSNVKNVKAAWSFSTGV
LNGHEGAPLVIGDMMYVHSAFPNNTYALNLNDPGKIVWQHKPKQDASTKA
VMCCDVVDRGLAYGAGQIVKKQANGHLLALDAKTGKINWEVEVCDPKVGS
TLTQAPFVAKDTVLMGCSGAELGVRGAVNAFDLKTGELKWRAFATGSDDS
VRLAKDFNSANPHYGQFGLGTKTWEGDAWKIGGGTNWGWYAYDPKLNLFY
YGSGNPAPWNETMRPGDNKWTMTIWGRDLDTGMAKWGYQKTPHDEWDFAG
VNQMVLTDQPVNGKMTPLLSHIDRNGILYTLNRENGNLIVAEKVDPAVNV
FKKVDLKTGTPVRDPEFATRMDHKGTNICPSAMGFHNQGVDSYDPESRTL
YAGLNHICMDWEPFMLPYRAGQFFVGATLAMYPGPNGPTKKEMGQIRAFD
LTTGKAKWTKWEKFAAWGGTLYTKGGLVWYATLDGYLKALDNKDGKELWN
FKMPSGGIGSPMTYSFKGKQYIGSMYGVGGWPGVGLVFDLTDPSAGLGAV
GAFRELQNHTQMGGGLMVFSL
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 chain2ad7 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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PDB2ad7 The enzymatic reaction-induced configuration change of the prosthetic group PQQ of methanol dehydrogenase
Resolution1.5 Å
Binding residue
(original residue number in PDB)		E55 C103 C104 R109 T153 S168 G169 A170 E171 T235 W237 R324 N387 W467 G530 W531
Binding residue
(residue number reindexed from 1)		E55 C103 C104 R109 T153 S168 G169 A170 E171 T235 W237 R324 N387 W467 G530 W531
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E171 N255 D297
Catalytic site (residue number reindexed from 1) E171 N255 D297
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:2ad7, PDBe:2ad7, PDBj:2ad7
PDBsum2ad7
PubMed21356200
UniProtP38539|DHM1_METME Methanol dehydrogenase [cytochrome c] subunit 1

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