Structure of PDB 3mdw Chain B Binding Site BS01

Receptor Information
>3mdw Chain B (length=449) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIFAERALLPEGWARNVRFEISADGVLAEIRPDANADGAERLGGAVLPGM
PNLHSHAFQRAMAGLAEVAGNPNDSFWTWRELMYRMVARLSPEQIEVIAC
QLYIEMLKAGYTAVAEFHYVHHDLDGRSYADPAELSLRISRAASAAGIGL
TLLPVLYSHAGFGGQPASEGQRRFINGSEAYLELLQRLRAPLEAAGHSLG
LCFHSLRAVTPQQIATVLAAGHDDLPVHIHIAEQQKEVDDCQAWSGRRPL
QWLYENVAVDQRWCLVHATHADPAEVAAMARSGAVAGLCLSTEANLGDGI
FPATDFLAQGGRLGIGSDSHVSLSVVEELRWLEYGQRLRDRKRNRLYRDD
QPMIGRTLYDAALAGGAQALGQPIGSLAVGRRADLLVLDGNDPYLASAEG
DALLNRWLFAGGDRQVRDVMVAGRWVVRDGRHAGEERSARAFVQVLGEL
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 chain3mdw Chain B Residue 454 [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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PDB3mdw Structure of N-Formimino-l-glutamate Iminohydrolase from Pseudomonas aeruginosa.
Resolution1.8979 Å
Binding residue
(original residue number in PDB)		F78 R82 Y121 H206 R209 E235
Binding residue
(residue number reindexed from 1)		F76 R80 Y119 H204 R207 E233
Annotation score3
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:3mdw, PDBe:3mdw, PDBj:3mdw
PDBsum3mdw
PubMed25559274
UniProtQ9HU77|HUTF_PSEAE Formimidoylglutamate deiminase (Gene Name=hutF)

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