Structure of PDB 1dcn Chain D Binding Site BS01

Receptor Information
>1dcn Chain D (length=436) Species: 8839 (Anas platyrhynchos) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PIMEKLNSSIAYDQRLSEVDIQGSMAYAKALEKAGILTKTELEKILSGLE
KISEEWSKGVFVVKQSDEDIHTANERRLKELIGDIAGKLNTGRSRNDQVV
TDLKLFMKNSLSIISTHLLQLIKTLVERAAIEIDVILPGYTNLQKAQPIR
WSQFLLSHAVALTRDSERLGEVKKRINVLPLGSGALAGNPLDIDREMLRS
ELEFASISLNSMDAISERDFVVEFLSFATLLMIHLSKMAEDLIIYSTSEF
GFLTLSDAFSTNPDSLELIRSKSGRVFGRLASILMVLKGLPSTYNKDLQE
DKEAVFDVVDTLTAVLQVATGVISTLQISKENMEKALTPEMLATDLALYL
VRKGVPFRQAHTASGKAVHLAETKGITINNLSLEDLKSISPQFSSDVSQV
FNFVNSVEQYTALAGTAKSSVTTQIEQLRELMKKQK
Ligand information
Ligand IDAS1
InChIInChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6+/m0/s1
InChIKeyKDZOASGQNOPSCU-NTSWFWBYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[H]N=C(NCCCC(C(=O)O)N)NC(CC(=O)O)C(=O)O
CACTVS 3.341N[C@@H](CCCNC(=N)N[C@H](CC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0[H]/N=C(/NCCC[C@@H](C(=O)O)N)\NC(CC(=O)O)C(=O)O
ACDLabs 10.04O=C(O)C(N)CCCNC(=[N@H])NC(C(=O)O)CC(=O)O
CACTVS 3.341N[CH](CCCNC(=N)N[CH](CC(O)=O)C(O)=O)C(O)=O
FormulaC10 H18 N4 O6
NameARGININOSUCCINATE
ChEMBL
DrugBankDB02267
ZINC
PDB chain1dcn Chain D Residue 0 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dcn Crystal structure of an inactive duck delta II crystallin mutant with bound argininosuccinate.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R115 N116 A205 Y323 Q328 K331
Binding residue
(residue number reindexed from 1)		R95 N96 A185 Y294 Q299 K302
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) N162 E296
Catalytic site (residue number reindexed from 1) N142 E267
Enzyme Commision number 4.3.2.1: argininosuccinate lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004056 argininosuccinate lyase activity
GO:0005212 structural constituent of eye lens
GO:0016829 lyase activity
Biological Process
GO:0006526 L-arginine biosynthetic process
GO:0042450 arginine biosynthetic process via ornithine
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:1dcn, PDBe:1dcn, PDBj:1dcn
PDBsum1dcn
PubMed10029536
UniProtP24058|ARLY2_ANAPL Argininosuccinate lyase (Gene Name=ASL2)

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