Structure of PDB 6b9t Chain G Binding Site BS02

Receptor Information
>6b9t Chain G (length=446) Species: 436308 (Nitrosopumilus maritimus SCM1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSYLIRSGNNFLGILNDIKRRPEDAANELGVSIEEINSIISGKQKISPSL
IEKAVNIWPVNERDFYIVSDDCSSGILIMTSQDSIKSSRIMERAGKPYYE
YRDTAMSKTAPFRPEWILELCKVENNDPENPKAQWNNGHFMHQFTYFIGE
VNFYYKDPEGKKHVAIMNTGDSMYITPFTPHTFTTRDGASQNGLILALTY
GSKLTGDIQQELSSLSLDCGSQYALDFTNHENASLSLLEYYFELSNLTKE
KFAKRTNFSMETLADFFTKKKLPTFDELKIIAKALNVNSRDLMPNDLTES
KVIVKTHDQCDHWKYPESGNYEFYELASTTALPHSKAFEIDVSSSEDLNL
DLKVGLHQYVYNIGDSALTINWNYENKTYQKSLNPGDSAYIKPFVPHNFR
GNGKILILRIGGKISGDSQRELSFVGRENTQRAISETMQWFDPKGS
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 G Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6b9t Structural basis for methylphosphonate biosynthesis.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		R102 Y108 Y110 N145 H148 Q152 H190
Binding residue
(residue number reindexed from 1)		R93 Y99 Y101 N136 H139 Q143 H181
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

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

[Back to BioLiP]