Structure of PDB 7cqu Chain C Binding Site BS05

Receptor Information
>7cqu Chain C (length=429) Species: 2203891 (Rhodovulum sp. 12E13) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDLASIAREKGIEFFLISFTDLLGVQRAKLVPARAIADMAVNGAGFAGFA
AWLDMSPADADILAIPDPESLIQLPWKPSVGWLAADVHFEGRPFPKAPRV
ALKSVLARAAGKDMHLKHGVECEFFLIQPDGSAISDPADTQAKPCYDQDA
LMRRFDVIAEICSYMVDLGWGPYQNDHEDANGQFEMNWDYADALVTADRH
AFFKFMVKSVAERHGLRATFMPKPFAHLTGNGCHTHLSMWTAAGDNLFEG
DGELGLSPTAYAFLGGLIGHAKGLTAVVNPTVNSYKRLNAPVTVSGATWS
PNTITYGGNNRTHMVRIPDAGRLELRLPDGAANPYLMPAAILAAGLDGIE
TQADPGQRLDIDMYVEGHSVEAEQLPLNLLDAVRALEADEVLAGGLGAAA
AAFAKFKRAEWADYKSQLTEWERRTTLDC
Ligand information
Ligand IDP3S
InChIInChI=1S/C5H13N2O6PS/c1-15(13,7-14(10,11)12)3-2-4(6)5(8)9/h4H,2-3,6H2,1H3,(H,8,9)(H2,10,11,12)/t4-,15-/m0/s1
InChIKeyQQFOFBSCSWFFPB-NMAPHRJESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(N=S(=O)(CCC(N)C(=O)O)C)(O)O
CACTVS 3.341C[S](=O)(CC[C@H](N)C(O)=O)=N[P](O)(O)=O
CACTVS 3.341C[S](=O)(CC[CH](N)C(O)=O)=N[P](O)(O)=O
OpenEye OEToolkits 1.5.0CS(=NP(=O)(O)O)(=O)CCC(C(=O)O)N
OpenEye OEToolkits 1.5.0C[S@](=NP(=O)(O)O)(=O)CC[C@@H](C(=O)O)N
FormulaC5 H13 N2 O6 P S
NameL-METHIONINE-S-SULFOXIMINE PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000014653634
PDB chain7cqu Chain C Residue 505 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7cqu Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		E122 E124 E179 E186 T230 G231 H235 R288 W300 R312 R327
Binding residue
(residue number reindexed from 1)		E121 E123 E178 E185 T229 G230 H234 R287 W299 R311 R326
Annotation score2
Enzymatic activity
Enzyme Commision number 6.3.1.2: glutamine synthetase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003824 catalytic activity
GO:0004356 glutamine synthetase activity
GO:0016874 ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006542 glutamine biosynthetic process
GO:0009399 nitrogen fixation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7cqu, PDBe:7cqu, PDBj:7cqu
PDBsum7cqu
PubMed33199371
UniProtA0A369R1N0

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