Structure of PDB 7cqn Chain A Binding Site BS02

Receptor Information
>7cqn Chain A (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 IDACP
InChIInChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
InChIKeyUFZTZBNSLXELAL-IOSLPCCCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(CP(=O)(O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC11 H18 N5 O12 P3
NamePHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER;
ADENOSINE-5'-[BETA, GAMMA-METHYLENE]TRIPHOSPHATE
ChEMBLCHEMBL133463
DrugBankDB03909
ZINCZINC000008295124
PDB chain7cqn Chain B Residue 501 [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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PDB7cqn Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
Resolution1.962 Å
Binding residue
(original residue number in PDB)		G46 D62
Binding residue
(residue number reindexed from 1)		G45 D61
Annotation score3
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:7cqn, PDBe:7cqn, PDBj:7cqn
PDBsum7cqn
PubMed33199371
UniProtA0A369R1N0

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