Structure of PDB 4rdw Chain A Binding Site BS02

Receptor Information
>4rdw Chain A (length=451) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAIFAERALLPEGWARNVRFEISADGVLAEIRPDANADGAERLGGAVLPG
MPNLHSHAFQRAMAGLAEVAGNPNDSFWTWRELMYRMVARLSPEQIEVIA
CQLYIEMLKAGYTAVAEFHYVHHDLDGRSYADPAELSLRISRAASAAGIG
LTLLPVLYSHAGFGGQPASEGQRRFINGSEAYLELLQRLRAPLEAAGHSL
GLCFHSLRAVTPQQIATVLAAGHDDLPVHIHIAEQQKEVDDCQAWSGRRP
LQWLYENVAVDQRWCLVHATHADPAEVAAMARSGAVAGLCLSTEANLGDG
IFPATDFLAQGGRLGIGSDSHVSLSVVEELRWLEYGQRLRDRKRNRLYRD
DQPMIGRTLYDAALAGGAQALGQPIGSLAVGRRADLLVLDGNDPYLASAE
GDALLNRWLFAGGDRQVRDVMVAGRWVVRDGRHAGEERSARAFVQVLGEL
L
Ligand information
Ligand IDNGQ
InChIInChI=1S/C6H11N3O4/c7-6(8)9-3(5(12)13)1-2-4(10)11/h3H,1-2H2,(H,10,11)(H,12,13)(H4,7,8,9)/t3-/m0/s1
InChIKeyRHVVRMJOHATSPD-VKHMYHEASA-N
SMILES
SoftwareSMILES
CACTVS 3.370NC(=N)N[C@@H](CCC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)C(NC(=[N@H])N)CCC(=O)O
OpenEye OEToolkits 1.7.0[H]/N=C(\N)/N[C@@H](CCC(=O)O)C(=O)O
CACTVS 3.370NC(=N)N[CH](CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)NC(=N)N
FormulaC6 H11 N3 O4
NameN-carbamimidoyl-L-glutamic acid;
N-Guanidino-L-Glutamate
ChEMBLCHEMBL1256283
DrugBank
ZINCZINC000001529598
PDB chain4rdw Chain A Residue 502 [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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PDB4rdw The structure of N-formimino-L-Glutamate Iminohydrolase from Pseudomonas aeruginosa complexed with N-Guanidino-L-Glutaric acid
Resolution1.591 Å
Binding residue
(original residue number in PDB)		H58 F78 R82 Y121 H206 R209 E235
Binding residue
(residue number reindexed from 1)		H57 F77 R81 Y120 H205 R208 E234
Annotation score2
Enzymatic activity
Enzyme Commision number 3.5.3.13: formimidoylglutamate deiminase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0019239 deaminase activity
GO:0046872 metal ion binding
GO:0050416 formimidoylglutamate deiminase activity
Biological Process
GO:0006547 L-histidine metabolic process
GO:0006548 L-histidine catabolic process
GO:0019556 L-histidine catabolic process to glutamate and formamide
GO:0019557 L-histidine catabolic process to glutamate and formate
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4rdw, PDBe:4rdw, PDBj:4rdw
PDBsum4rdw
PubMed
UniProtQ9HU77|HUTF_PSEAE Formimidoylglutamate deiminase (Gene Name=hutF)

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