Structure of PDB 2e9f Chain B Binding Site BS01

Receptor Information
>2e9f Chain B (length=450) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPDALAARFNASLAFDRALWREDLWQNRVHARMLHAVGLLSAEELEAILK
GLDRIEEEIEAGTFPWREELEDVHMNLEARLTELVGPPGGKLHTARSRND
QVATDLRLYLRGAIDELLALLLALRRVLVREAEKHLDPLYVLPGYTHLQR
AQPVLLAHWFLAYYEMLKRDAGRLEDAKERLNESPLGAAALAGTGFPIDR
HFTARELGFKAPMRNSLDAVASRDFALEVLSALNIGMLHLSRMAEELILY
STEEFGFVEVPDAFATGSSIMPQKKNPDILELIRAKAGRVLGAFVGLSAV
VKGLPLAYNKDLQEDKEPLLDALATYRDSLRLLAALLPGLKWRRERMWRA
AEGGYTLATELADYLAEKGLPFREAHHVVGRLVRRLVEEGRALKDLTLEE
LQAHHPLFAEDALPLLRLETAIHRRRSYGGTAPEAVRERLEEAKKEVGLD
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 chain2e9f Chain B Residue 491 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2e9f Crystal Structure of T.th.HB8 Argininosuccinate lyase complexed with L-Arginine
Resolution2.8 Å
Binding residue
(original residue number in PDB)		R110 N111 V114 Y320 Q325 K328
Binding residue
(residue number reindexed from 1)		R98 N99 V102 Y308 Q313 K316
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E83 T158 H159 S280 S281 K286 E293
Catalytic site (residue number reindexed from 1) E71 T146 H147 S268 S269 K274 E281
Enzyme Commision number 4.3.2.1: argininosuccinate lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004056 argininosuccinate lyase activity
GO:0016829 lyase activity
Biological Process
GO:0006526 L-arginine biosynthetic process
GO:0042450 arginine biosynthetic process via ornithine
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2e9f, PDBe:2e9f, PDBj:2e9f
PDBsum2e9f
PubMed
UniProtQ5SLL0|ARLY_THET8 Argininosuccinate lyase (Gene Name=argH)

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