Structure of PDB 1s9r Chain B Binding Site BS01

Receptor Information
>1s9r Chain B (length=409) Species: 2094 (Mycoplasmopsis arginini) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVFDSKFKGIHVYSEIGELESVLVHEPGREIDYITPARLDELLFSAILES
HDARKEHKQFVAELKANDINVVELIDLVAETYDLASQEAKDKLIEEFLED
SEPVLSEEHKVVVRNFLKAKKTSRELVEIMMAGITKYDLGIEADHELIVD
PMPNLYFTRDPFASVGNGVTIHYMRYKVRQRETLFSRFVFSNHPKLINTP
WYYDPSLKLSIEGGDVFIYNNDTLVVGVSERTDLQTVTLLAKNIVANKEC
EFKRIVAINVPKWTNLMHLDTWLTMLDKDKFLYSPIANDVFKFWDYDLVN
GGAEPQPVENGLPLEGLLQSIINKKPVLIPIAGEGASQMEIERETHFDGT
NYLAIRPGVVIGYSRNEKTNAALEAAGIKVLPFHGNQLSLGMGNARCMSM
PLSRKDVKW
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain1s9r Chain B Residue 951 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1s9r Crystal Structures of Arginine Deiminase with Covalent Reaction Intermediates: Implications for Catalytic Mechanism
Resolution1.6 Å
Binding residue
(original residue number in PDB)		L44 N155 F158 D161 R180 R232 M268 H269 D271 G392 M393 C398
Binding residue
(residue number reindexed from 1)		L43 N154 F157 D160 R179 R231 M267 H268 D270 G391 M392 C397
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.3.6: arginine deiminase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016990 arginine deiminase activity
Biological Process
GO:0006525 arginine metabolic process
GO:0006527 arginine catabolic process
GO:0019546 arginine deiminase pathway
GO:0019547 arginine catabolic process to ornithine
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1s9r, PDBe:1s9r, PDBj:1s9r
PDBsum1s9r
PubMed15062088
UniProtP23793|ARCA_MYCAR Arginine deiminase (Gene Name=arcA)

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