Structure of PDB 7cqx Chain C Binding Site BS01

Receptor Information
>7cqx Chain C (length=421) Species: 2203891 (Rhodovulum sp. 12E13) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTDLASIAREKGIEFFLISFTDLLGVQRAKLVPARAIADMAVNGAGFAGF
AAWLDMSPADADILAIPDPESLIQLPWKPSVGWLAADVHFEGRPFPKAPR
VALKSVLARAAGKDMHLKHGVECEFFLIQPDGSAISDPADTQAKPCYDQD
ALMRRFDVIAEICSYMVDLGWGPYQNDHEDANGQFEMNWDYADALVTADR
HAFFKFMVKSVAERHGLRATFMPKPFAHLTGNGCHTHLSMWTAAGDNLFE
GDGELGLSPTAYAFLGGLIGHAKGLTAVVNPTVNSYKRLNASPNTITYGG
NNRTHMVRIPDAGRLELRLPDGAANPYLMPAAILAAGLDGIETQADPGQR
LDIDMYVEGHSVEAEQLPLNLLDAVRALEADEVLAGGLGAAAAAFAKFKR
AEWADYKSQLTEWERRTTLDC
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain7cqx Chain C Residue 500 [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]
PDB7cqx Crystal structures of gamma-glutamylmethylamide synthetase provide insight into bacterial metabolism of oceanic monomethylamine.
Resolution2.301 Å
Binding residue
(original residue number in PDB)		Y174 W189 D190 Y191 H237 S239 R317 R323
Binding residue
(residue number reindexed from 1)		Y174 W189 D190 Y191 H237 S239 R308 R314
Annotation score5
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:7cqx, PDBe:7cqx, PDBj:7cqx
PDBsum7cqx
PubMed33199371
UniProtA0A369R1N0

[Back to BioLiP]