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Structure of PDB 1c3o Chain B Binding Site BS01

Receptor Information >1c3o Chain B (length=379) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] IKSALLVLEDGTQFHGRAIGATGSAVGEVVFNTSMTGYQEILTDPSYSRQ IVTLTYPHIGNVGTNDADEESSQVHAQGLVIRDLPLIASNFRNTEDLSSY LKRHNIVAIADIDTRKLTRLLREKGAQNGCIIAGDNPDAALALEKARAFP GLNGMDLAKEVTTAEAYSWTQGSWTLTGGLPEAKKEDELPFHVVAYDFGA KRNILRMLVDRGCRLTIVPAQTSAEDVLKMNPDGIFLSNGPGDPAPCDYA ITAIQKFLETDIPVFGISLGHQLLALASGAKTVKMKFGHHGGNHPVKDVE KNVVMITAQNHGFAVDEATLPANLRVTHKSLFDGTLQGIHRTDKPAFSFQ GHPEASPGPHDAAPLFDHFIELIEQYRKT

Ligand information Ligand ID GLN InChI InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1 InChIKey ZDXPYRJPNDTMRX-VKHMYHEASA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 C(CC(=O)N)C(C(=O)O)N OpenEye OEToolkits 1.5.0 C(CC(=O)N)[C@@H](C(=O)O)N ACDLabs 10.04 O=C(N)CCC(N)C(=O)O CACTVS 3.341 N[CH](CCC(N)=O)C(O)=O CACTVS 3.341 N[C@@H](CCC(N)=O)C(O)=O Formula C5 H10 N2 O3 Name GLUTAMINE ChEMBL CHEMBL930 DrugBank DB00130 ZINC ZINC000001532526 PDB chain 1c3o Chain B Residue 4012 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 1c3o The small subunit of carbamoyl phosphate synthetase: snapshots along the reaction pathway. Resolution 2.1 Å Binding residue (original residue number in PDB) S47 N240 G241 G243 S269 L270 N311 H312 G313 F314 Binding residue (residue number reindexed from 1) S46 N239 G240 G242 S268 L269 N310 H311 G312 F313 Annotation score 5

Enzymatic activity Catalytic site (original residue number in PDB) K202 S269 H353 E355 Catalytic site (residue number reindexed from 1) K201 S268 H352 E354 Enzyme Commision number 6.3.5.5: carbamoyl-phosphate synthase (glutamine-hydrolyzing).

Gene Ontology Molecular Function GO:0004088 carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity GO:0004359 glutaminase activity GO:0005515 protein binding GO:0005524 ATP binding GO:0016874 ligase activity GO:0046982 protein heterodimerization activity

	Biological Process
GO:0006207	'de novo' pyrimidine nucleobase biosynthetic process
GO:0006221	pyrimidine nucleotide biosynthetic process
GO:0006526	L-arginine biosynthetic process
GO:0006541	glutamine metabolic process
GO:0019856	pyrimidine nucleobase biosynthetic process
GO:0044205	'de novo' UMP biosynthetic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005951	carbamoyl-phosphate synthase complex

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