Structure of PDB 1tjw Chain C Binding Site BS01

Receptor Information
>1tjw Chain C (length=449) Species: 8839 (Anas platyrhynchos) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPIMEKLNSSIAYDQRLSEVDIQGSMAYAKALEKAGILTKTELEKILSGL
EKISEEWSKGVFVVKQSDEDIHTANERRLKELIGDIAGKLHTGRSRNDQV
VTDLKLFMKNSLSIISTHLLQLIKTLVERAAIEIDVILPGYDHLQKAQPI
RWSQFLLSHAVALTRDSERLGEVKKRINVLPLGSGALAGNPLDIDREMLR
SELEFASISLNSMDAISERDFVVEFLSFATLLMIHLSKMAEDLIIYSTSE
FGFLTLSDAFSTGSSLMPQKKNPDSLELIRSKAGRVFGRLASILMVLKGL
PSTYNKDLQEDKEAVFDVVDTLTAVLQVATGVISTLQISKENMEKALTPE
MLATDLALYLVRKGVPFRQAHTASGKAVHLAETKGITINKLSLEDLKSIS
PQFSSDVSQVFNFVNSVEQYTALAGTAKSSVTTQIEQLRELMKKQKEQA
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 chain1tjw Chain C Residue 1001 [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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PDB1tjw Structural studies of duck delta2 crystallin mutants provide insight into the role of Thr161 and the 280s loop in catalysis
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S114 R115 N116 Y323 Q328 K331
Binding residue
(residue number reindexed from 1)		S95 R96 N97 Y304 Q309 K312
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E88 D161 H162 S283 S284 K289 E296
Catalytic site (residue number reindexed from 1) E69 D142 H143 S264 S265 K270 E277
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

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1tjw, PDBe:1tjw, PDBj:1tjw
PDBsum1tjw
PubMed15320872
UniProtP24058|ARLY2_ANAPL Argininosuccinate lyase (Gene Name=ASL2)

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