Structure of PDB 4rzb Chain B Binding Site BS01

Receptor Information
>4rzb Chain B (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 IDNFQ
InChIInChI=1S/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)/t3-/m0/s1
InChIKeyXTPIFIMCFHNJOH-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0[H]/N=C/N[C@@H](CC(=O)O)C(=O)O
CACTVS 3.370OC(=O)C[CH](NC=N)C(O)=O
CACTVS 3.370OC(=O)C[C@H](NC=N)C(O)=O
ACDLabs 12.01O=C(O)C(NC=[N@H])CC(=O)O
OpenEye OEToolkits 1.7.0C(C(C(=O)O)NC=N)C(=O)O
FormulaC5 H8 N2 O4
NameN-[(E)-iminomethyl]-L-aspartic acid;
N-formimino-L-Aspartate
ChEMBL
DrugBank
ZINC
PDB chain4rzb 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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PDB4rzb Structure of N-Formimino-l-glutamate Iminohydrolase from Pseudomonas aeruginosa.
Resolution1.863 Å
Binding residue
(original residue number in PDB)		F78 R82 Y121 H206 R209 E235
Binding residue
(residue number reindexed from 1)		F77 R81 Y120 H205 R208 E234
Annotation score3
Binding affinityMOAD: Ki=30uM
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:4rzb, PDBe:4rzb, PDBj:4rzb
PDBsum4rzb
PubMed25559274
UniProtQ9HU77|HUTF_PSEAE Formimidoylglutamate deiminase (Gene Name=hutF)

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