Structure of PDB 5fdn Chain B Binding Site BS01

Receptor Information
>5fdn Chain B (length=900) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DAQLRQLVPAKVSEDDKLVEYDALLLDRFLDILQDLHGEDLRETVQELYE
LSAEYEGKREPSKLEELGSVLTSLDPGDSIVISKAFSHMLNLANLAEEVQ
IAHRRRIKKLKKGDFVDESSATTESDIEETFKRLVSDLGKSPEEIFDALK
NQTVDLVLTAHPTQSVRRSLLQKHGRIRDCLAQLYAKDITPDDKQELDES
LQREIQAAFRTPQDEMRAGMSYFHETIWKGVPKFLRRVDTALKNIGIDER
VPYNAPLIQFSSWMGGDRDGNPRVTPEVTRDVCLLARMMAANLYYNQIEN
LMFELSMWRCTDEFRVRADELIEFWKTIPPTEPYRVILGDVRDKLYHTRE
RSRQLLSNGISDIPEEATFTNVEQFLEPLELCYRSLCSCGDSPIADGSLL
DFLRQVSTFGLSLVRLDIRQESERHTDVLDAITKHLDIGSSYRDWSEEGR
QEWLLAELSGKRPLFGPDLPKTEEISDVLDTFKVISELPSDCFGAYIISM
ATSPSDVLAVELLQRECHVKNPLRVVPLFEKLADLEAAPAAVARLFSIDW
YKNRINGKQEVMIGYSDSGKDAGRLSAAWELYKAQEELVKVAKKYGVKLT
MFHGRGGTVGRGGGPTHLAILSQPPDTVNGSLRVTVQGEVIEQSFGEAHL
CFRTLQRFTAATLEHGMNPPISPKPEWRALLDEMAVVATEEYRSVVFQEP
RFVEYFRLATPELEYGRMNIIESLRAIPWIFAWTQTRFHLPVWLGFGAAF
RYAIKKDVRNLHMLQDMYKQWPFFRVTIDLIEMVFAKGDPGIAALYDKLL
VSEDLWAFGEKLRANFDETKNLVLQTAGHKDLLEGDPYLKQRLRLRDSYI
TTLNVCQAYTLKRIRDANYNVTLRPHISKGLEDTLILTMKGIAAGLQNTG
Ligand information
Ligand IDASP
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKeyCKLJMWTZIZZHCS-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)C(=O)O
CACTVS 3.370N[CH](CC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CC(O)=O)C(O)=O
ACDLabs 12.01O=C(O)CC(N)C(=O)O
FormulaC4 H7 N O4
NameASPARTIC ACID
ChEMBLCHEMBL274323
DrugBankDB00128
ZINCZINC000000895032
PDB chain5fdn Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fdn Crystal structure of phosphoenolpyruvate carboxylase from Arabidopsis thaliana in complex with aspartate and citrate
Resolution2.2 Å
Binding residue
(original residue number in PDB)		R644 Q676 K832 R891 N966
Binding residue
(residue number reindexed from 1)		R611 Q643 K787 R846 N898
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H173 R452 E563 D600 R638 R770
Catalytic site (residue number reindexed from 1) H161 R419 E530 D567 R605 R725
Enzyme Commision number 4.1.1.31: phosphoenolpyruvate carboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008964 phosphoenolpyruvate carboxylase activity
GO:0016829 lyase activity
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0015977 carbon fixation
GO:0015979 photosynthesis
Cellular Component
GO:0005737 cytoplasm
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:5fdn, PDBe:5fdn, PDBj:5fdn
PDBsum5fdn
PubMed
UniProtQ84VW9|CAPP3_ARATH Phosphoenolpyruvate carboxylase 3 (Gene Name=PPC3)

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