Structure of PDB 4tqo Chain A Binding Site BS02

Receptor Information
>4tqo Chain A (length=573) Species: 243233 (Methylococcus capsulatus str. Bath) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSELDRLSKDDRNWVMQTKDYSATHFSRLTEINSHNVKNLKVAWTLSTGT
LHGHEGAPLVVDGIMYIHTPFPNNVYAVDLNDTRKMLWQYKPKQNPAARA
VACCDVVNRGLAYVPAGEHGPAKIFLNQLDGHIVALNAKTGEEIWKMENS
DIAMGSTLTGAPFVVKDKVLVGSAGAELGVRGYVTAYNIKDGKQEWRAYA
TGPDEDLLLDKDFNKDNPHYGQFGLGLSTWEGDAWKIGGGTNWGWYAYDP
KLDMIYYGSGNPAPWNETMRPGDNKWTMTIWGRDADTGRAKFGYQKTPHD
EWDYAGVNYMGLSEQEVDGKLTPLLTHPDRNGLVYTLNRETGALVNAFKI
DDTVNWVKKVDLKTGLPIRDPEYSTRMDHNAKGICPSAMGYHNQGIESYD
PDKKLFFMGVNHICMDWEPFMLPYRAGQFFVGATLNMYPGPKGMLGQVKA
MNAVTGKMEWEVPEKFAVWGGTLATAGDLVFYGTLDGFIKARDTRTGELK
WQFQLPSGVIGHPITYQHNGKQYIAIYSGVGGWPGVGLVFDLKDPTAGLG
AVGAFRELAHYTQMGGSVFVFSL
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 chain4tqo Chain A Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4tqo Structure and Protein-Protein Interactions of Methanol Dehydrogenase from Methylococcus capsulatus (Bath).
Resolution2.57 Å
Binding residue
(original residue number in PDB)		E83 C131 C132 R137 T187 A202 G203 A204 E205 T269 W271 R358 N421 W497 G560 W561
Binding residue
(residue number reindexed from 1)		E55 C103 C104 R109 T159 A174 G175 A176 E177 T241 W243 R330 N393 W469 G532 W533
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E205 N289 D331
Catalytic site (residue number reindexed from 1) E177 N261 D303
Enzyme Commision number ?
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
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:4tqo, PDBe:4tqo, PDBj:4tqo
PDBsum4tqo
PubMed25185034
UniProtQ60AR6

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