Structure of PDB 1j32 Chain B Binding Site BS01

Receptor Information
>1j32 Chain B (length=388) Species: 32060 (Phormidium lapideum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLAARVESVSPSMTLIIDAKAKAMKAEGIDVCSFSAGEPDFNTPKHIVE
AAKAALEQGKTRYGPAAGEPRLREAIAQKLQRDNGLCYGADNILVTNGGK
QSIFNLMLAMIEPGDEVIIPAPFWVSYPEMVKLAEGTPVILPTTVETQFK
VSPEQIRQAITPKTKLLVFNTPSNPTGMVYTPDEVRAIAQVAVEAGLWVL
SDEIYEKILYDDAQHLSIGAASPEAYERSVVCSGFAKTYAMTGWRVGFLA
GPVPLVKAATKIQGHSTSNVCTFAQYGAIAAYENSQDCVQEMLAAFAERR
RYMLDALNAMPGLECPKPDGAFYMFPSIAKTGRSSLDFCSELLDQHQVAT
VPGAAFGADDCIRLSYATDLDTIKRGMERLEKFLHGIL
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain1j32 Chain B Residue 413 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1j32 Structural studies of aspartate aminotransferase from Phormidium lapideum
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G98 G99 K100 W124 N170 N174 D202 I204 Y205 A236 K237 R245
Binding residue
(residue number reindexed from 1)		G98 G99 K100 W124 N170 N174 D202 I204 Y205 A236 K237 R245
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) W124 D202 I204 K237
Catalytic site (residue number reindexed from 1) W124 D202 I204 K237
Enzyme Commision number 2.6.1.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1j32, PDBe:1j32, PDBj:1j32
PDBsum1j32
PubMed
UniProtQ8RR70

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