Structure of PDB 2a9g Chain D Binding Site BS01

Receptor Information
>2a9g Chain D (length=406) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKLGVHSEAGKLRKVMVCSPGLAHQRLTPSNCDELLFDDVIWVNQAKRDH
FDFVTKMRERGIDVLEMHNLLTETIQNPEALKWILDRKITADSVGLGLTS
ELRSWLESLEPRKLAEYLIGGVAADDLPASEGANILKMYREYLGHSSFLL
PPLPNTQFTRDTTCWIYGGVTLNPMYWPARRQETLLTTAIYKFHPEFANA
EFEIWYGDPDKDHGSSTLEGGDVMPIGNGVVLIGMGERSSRQAIGQVAQS
LFAKGAAERVIVAGLPKSRAAMHLDTVFSFCDRDLVTVFPEVVKEIVPFS
LRPDPSSPYGMNIRREEKTFLEVVAESLGLKKLRVVETGGREQWDDGNNV
VCLEPGVVVGYDRNTYTNTLLRKAGVEVITISASELGRGRGGGHAMTCPI
VRDPID
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 chain2a9g Chain D Residue 4500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2a9g Crystal Structures Representing the Michaelis Complex and the Thiouronium Reaction Intermediate of Pseudomonas aeruginosa Arginine Deiminase.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L41 N160 F163 D166 R185 H278 D280 G400 R401 A406
Binding residue
(residue number reindexed from 1)		L36 N155 F158 D161 R180 H273 D275 G389 R390 A395
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:2a9g, PDBe:2a9g, PDBj:2a9g
PDBsum2a9g
PubMed16091358
UniProtP13981|ARCA_PSEAE Arginine deiminase (Gene Name=arcA)

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