Structure of PDB 1xi9 Chain C Binding Site BS01

Receptor Information
>1xi9 Chain C (length=393) Species: 186497 (Pyrococcus furiosus DSM 3638) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RASKRALSVEYAIRDVVLPARELEKKGIKVIRLNIGDPVKFDFQPPEHMK
EAYCKAIKEGHNYYGDSEGLPELRKAIVEREKRKNGVDITPDDVRVTAAV
TEALQLIFGALLDPGDEILVPGPSYPPYTGLVKFYGGKPVEYRTIEEEDW
QPDIDDIRKKITDRTKAIAVINPNNPTGALYDKKTLEEILNIAGEYEIPV
ISDEIYDLMTYEGEHISPGSLTKDVPVIVMNGLSKVYFATGWRLGYMYFV
DPENKLSEVREAIDRLARIRLCPNTPAQFAAIAGLTGPMDYLKEYMKKLK
ERRDYIYKRLNEIPGISTTKPQGAFYIFPKIEVGPWKNDKEFVLDVLHNA
HVLFVHGSGFGEYGAGHFRAVFLPPIEILEEAMDRFEKFMKER
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 chain1xi9 Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xi9 Alanine aminotransferase from Pyrococcus furiosus Pfu-1397077-001
Resolution2.33 Å
Binding residue
(original residue number in PDB)		A101 V102 T103 Y127 N177 D205 I207 Y208 S236 K237 R245
Binding residue
(residue number reindexed from 1)		A99 V100 T101 Y125 N175 D203 I205 Y206 S234 K235 R243
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y127 D205 I207 K237
Catalytic site (residue number reindexed from 1) Y125 D203 I205 K235
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0009058 biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1xi9, PDBe:1xi9, PDBj:1xi9
PDBsum1xi9
PubMed
UniProtQ9P9M8

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