Structure of PDB 6g3f Chain A Binding Site BS01

Receptor Information
>6g3f Chain A (length=497) Species: 266779 (Chelativorans sp. BNC1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPDATRIGRATGAKAPEFQELYDFDAAALTLTSAVFPYDSQIHRAHVVML
TEQGILTVEESATILSGLAQVDELAATDGSLRTYLPYEAALKRTIGSVAG
KMHIGRSRNDLANAGKRMFLRDQLLRTIEAVIGYREAVVHKAADHLDTVM
VVYTQRKEAQPITLGHYLMAISENLAKNLDRYRELYARINLCPLGAAATA
GTGWPLNRDRTSALLGFDGLVVNSIEGVAGWDHVAEHAFVNAVFLSGLSR
LASEIQLWSTDEYQVAELDASFAGTSSIMPQKKNPDSLERSRKAAFAAMG
PLVGILTSLNAIEYQYSAARVELEPRSIDALIAATHAMTGVVRTLHPNKE
RMRQYAAENYSTMTDLTDMLVRRVGIDYREAHEIVAHVVITAIEKGIKAN
KIGLDLVQEAAVAQTGAGINVSADDIKDALDPWQNVLRREGKGMPAPMSV
KASIDDAMAELHKDRAWLANATQALANAKQTLADSVQQIIQTDRKYL
Ligand information
Ligand IDFUM
InChIInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChIKeyVZCYOOQTPOCHFL-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(=CC(=O)O)C(=O)O
OpenEye OEToolkits 1.7.6C(=C/C(=O)O)\C(=O)O
CACTVS 3.370OC(=O)\C=C\C(O)=O
ACDLabs 12.01O=C(O)\C=C\C(=O)O
CACTVS 3.370OC(=O)C=CC(O)=O
FormulaC4 H4 O4
NameFUMARIC ACID
ChEMBLCHEMBL503160
DrugBankDB01677
ZINCZINC000003860193
PDB chain6g3f Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6g3f Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope.
Resolution2.222 Å
Binding residue
(original residue number in PDB)		S280 S281 M283 K286 N288
Binding residue
(residue number reindexed from 1)		S276 S277 M279 K282 N284
Annotation score5
Enzymatic activity
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:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6g3f, PDBe:6g3f, PDBj:6g3f
PDBsum6g3f
PubMed29741885
UniProtQ11KV9

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