Structure of PDB 1k7w Chain A Binding Site BS02

Receptor Information
>1k7w Chain A (length=449) Species: 8839 (Anas platyrhynchos) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDPIMEKLNSSIAYDQRLSEVDIQGSMAYAKALEKAGILTKTELEKILSG
LEKISEEWSKGVFVVKQSDEDIHTANERRLKELIGDIAGKLHTGRSRNDQ
VVTDLKLFMKNSLSIISTHLLQLIKTLVERAAIEIDVILPGYTHLQKAQP
IRWSQFLLSHAVALTRDSERLGEVKKRINVLPLGSGALAGNPLDIDREML
RSELEFASISLNSMDAISERDFVVEFLSFATLLMIHLSKMAEDLIIYSTS
EFGFLTLSDAFSTGASLMPQKKNPDSLELIRSKAGRVFGRLASILMVLKG
LPSTYNKDLQEDKEAVFDVVDTLTAVLQVATGVISTLQISKENMEKALTP
EMLATDLALYLVRKGVPFRQAHTASGKAVHLAETKGITINKLSLEDLKSI
SPQFSSDVSQVFNFVNSVEQYTALGGTAKSSVTTQIEQLRELMKKQKEQ
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 chain1k7w 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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PDB1k7w Mutational analysis of duck delta 2 crystallin and the structure of an inactive mutant with bound substrate provide insight into the enzymatic mechanism of argininosuccinate lyase.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		T161 H162
Binding residue
(residue number reindexed from 1)		T143 H144
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E88 T161 H162 A283 S284 K289 E296
Catalytic site (residue number reindexed from 1) E70 T143 H144 A265 S266 K271 E278
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:1k7w, PDBe:1k7w, PDBj:1k7w
PDBsum1k7w
PubMed11698398
UniProtP24058|ARLY2_ANAPL Argininosuccinate lyase (Gene Name=ASL2)

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