Structure of PDB 6b9t Chain D Binding Site BS03

Receptor Information
>6b9t Chain D (length=453) Species: 436308 (Nitrosopumilus maritimus SCM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIDFKPDSYLIRSGNNFLGILNDIKRRPEDAANELGVSIEEINSIISGKQ
KISPSLIEKAVNIWPVNERDFYIVSDDCSSGILIMTSQDSIKSSRIMERA
GKPYYEYRDTAMSKTAPFRPEWILELCKVENNDPENPKAQWNNGHFMHQF
TYFIGEVNFYYKDPEGKKHVAIMNTGDSMYITPFTPHTFTTRDGASQNGL
ILALTYGSKLTGDIQQELSSLSLDCGSQYALDFTNHENASLSLLEYYFEL
SNLTKEKFAKRTNFSMETLADFFTKKKLPTFDELKIIAKALNVNSRDLMP
NDLTESKVIVKTHDQCDHWKYPESGNYEFYELASTTALPHSKAFEIDVSS
SEDLNLDLKVGLHQYVYNIGDSALTINWNYENKTYQKSLNPGDSAYIKPF
VPHNFRGNGKILILRIGGKISGDSQRELSFVGRENTQRAISETMQWFDPK
GSN
Ligand information
Ligand ID2HE
InChIInChI=1S/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)
InChIKeySEHJHHHUIGULEI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OCC[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(CP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)CCO
FormulaC2 H7 O4 P
Name(2-hydroxyethyl)phosphonic acid
ChEMBLCHEMBL1229938
DrugBank
ZINCZINC000004097146
PDB chain6b9t Chain D Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6b9t Structural basis for methylphosphonate biosynthesis.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		Y108 Y110 N145 H148 Q152 H190 F192
Binding residue
(residue number reindexed from 1)		Y105 Y107 N142 H145 Q149 H187 F189
Annotation score5
Enzymatic activity
Enzyme Commision number 1.13.11.73: methylphosphonate synthase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0008198 ferrous iron binding
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0032923 organic phosphonate biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6b9t, PDBe:6b9t, PDBj:6b9t
PDBsum6b9t
PubMed29217579
UniProtA9A1T2|MPNS_NITMS Methylphosphonate synthase (Gene Name=mpnS)

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